FN Thomson Reuters Web of Science™
VR 1.0
PT J
AU Smoot, GF
Debono, I
AF Smoot, George F.
Debono, Ivan
TI 21 cm intensity mapping with the Five hundred metre Aperture Spherical
Telescope
SO ASTRONOMY & ASTROPHYSICS
LA English
DT Article
DE methods: observational; inflation; radio continuum: galaxies
ID RADIO-CONTINUUM EMISSION; ABSOLUTE SKY BRIGHTNESS; PROBE WMAP
OBSERVATIONS; BEAM PATTERNS; 408 MHZ; MICROWAVE; MAPS; FLUCTUATIONS;
FOREGROUNDS; RADIATION
AB This paper describes a programme to map large-scale cosmic structures on the largest possible scales by using the Five hundred metre Aperture Spherical Telescope (FAST) to make a 21 cm (red-shifted) intensity map of the sky for the range 0.5 < z < 2.5. The goal is to map to the angular and spectral resolution of FAST a large swath of the sky by simple drift scans with a transverse set of beams. This approach would be complementary to galaxy surveys and could be completed before the Square Kilometre Array (SKA) could begin a more detailed and precise effort. The science would be to measure the large-scale structure on the size of the baryon acoustic oscillations and larger scale, and the results would be complementary to its contemporary observations and significant. The survey would be uniquely sensitive to the potential very large-scale features from inflation at the Grand Unified Theory (GUT) scale and complementary to observations of the cosmic microwave background.
C1 [Smoot, George F.; Debono, Ivan] Univ Paris Diderot, CNRS IN2P3, Paris Ctr Cosmol Phys,Astroparticule & Cosmol, AstroParticule & Cosmol,APC,CEA,Irfu Observ Paris, 10 Rue Alice Domon & Leonie Duquet, F-75205 Paris 13, France.
[Smoot, George F.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Smoot, George F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Smoot, George F.] Hong Kong Univ Sci & Technol, Kowloon, Hong Kong, Peoples R China.
RP Smoot, GF (reprint author), Univ Paris Diderot, CNRS IN2P3, Paris Ctr Cosmol Phys,Astroparticule & Cosmol, AstroParticule & Cosmol,APC,CEA,Irfu Observ Paris, 10 Rue Alice Domon & Leonie Duquet, F-75205 Paris 13, France.; Smoot, GF (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.; Smoot, GF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.; Smoot, GF (reprint author), Hong Kong Univ Sci & Technol, Kowloon, Hong Kong, Peoples R China.
EM gfsmoot@lbl.gov; ivan.debono@apc.univ-paris7.fr
FU UnivEarthS Labex programme at Universite Sorbonne Paris Cite
[ANR-10-LABX-0023, ANR-11-IDEX-0005-02]; REACH HIGH Scholars Programme -
Post-Doctoral Grants; European Union, Operational Programme II -
Cohesion Policy; Chaire d'Excellence Universite Sorbonne Paris Cite
FX G.F.S. acknowledges support through his Chaire d'Excellence Universite
Sorbonne Paris Cite and the financial support of the UnivEarthS Labex
programme at Universite Sorbonne Paris Cite (ANR-10-LABX-0023 and
ANR-11-IDEX-0005-02). I.D. acknowledges that the research work disclosed
in this publication is partially funded by the REACH HIGH Scholars
Programme - Post-Doctoral Grants. The grant is part-financed by the
European Union, Operational Programme II - Cohesion Policy 2014-2020.
The authors would also like to thank Pat McDonald, Richard Shaw, Kris
Sigurdson, Matt Dobbs, Kevin Bandura, Phil Bull, Pedro Ferreira, Mario
Santos, David Alonso and Dhiraj Kumar Hazra for useful discussions and
feedback.
NR 55
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PU EDP SCIENCES S A
PI LES ULIS CEDEX A
PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A,
FRANCE
SN 1432-0746
J9 ASTRON ASTROPHYS
JI Astron. Astrophys.
PD JAN
PY 2017
VL 597
AR A136
DI 10.1051/0004-6361/201526794
PG 12
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA EI3LS
UT WOS:000392392900011
ER
PT J
AU Dale, B
AF Dale, Bruce
TI A sober view of the difficulties in scaling cellulosic biofuels
SO BIOFUELS BIOPRODUCTS & BIOREFINING-BIOFPR
LA English
DT Editorial Material
C1 [Dale, Bruce] Michigan State Univ, Dept Chem Engn & Mat Sci, DOE Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA.
RP Dale, B (reprint author), Michigan State Univ, Dept Chem Engn & Mat Sci, DOE Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA.
EM bdale@egr.msu.edu
NR 0
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U1 0
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PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1932-104X
EI 1932-1031
J9 BIOFUEL BIOPROD BIOR
JI Biofuels Bioprod. Biorefining
PD JAN-FEB
PY 2017
VL 11
IS 1
BP 5
EP 7
DI 10.1002/bbb.1745
PG 3
WC Biotechnology & Applied Microbiology; Energy & Fuels
SC Biotechnology & Applied Microbiology; Energy & Fuels
GA EJ8DT
UT WOS:000393455900001
ER
PT J
AU Tan, ECD
Snowden-Swan, LJ
Talmadge, M
Dutta, A
Jones, S
Ramasamy, KK
Gray, M
Dagle, R
Padmaperuma, A
Gerber, M
Sahir, AH
Tao, L
Zhang, YA
AF Tan, Eric C. D.
Snowden-Swan, Lesley J.
Talmadge, Michael
Dutta, Abhijit
Jones, Susanne
Ramasamy, Karthikeyan K.
Gray, Michel
Dagle, Robert
Padmaperuma, Asanga
Gerber, Mark
Sahir, Asad H.
Tao, Ling
Zhang, Yanan
TI Comparative techno-economic analysis and process design for indirect
liquefaction pathways to distillate-range fuels via biomass-derived
oxygenated intermediates upgrading
SO BIOFUELS BIOPRODUCTS & BIOREFINING-BIOFPR
LA English
DT Article
DE biomass; biorefinery; biofuel; indirect liquefaction; oxygenates;
process design; techno-economic analysis; sustainability
ID ENVIRONMENTAL SUSTAINABILITY IMPACTS; THERMOCHEMICAL CONVERSION; PRODUCT
DISTRIBUTION; MIXED OXIDES; CATALYSTS; ETHANOL; GAS; FERMENTATION;
SYNGAS; SYSTEM
AB This paper presents a comparative techno-economic analysis (TEA) of five conversion pathways from biomass to gasoline-, jet-, and diesel-range hydrocarbons via indirect liquefaction with a specific focus on pathways utilizing oxygenated intermediates. The four emerging pathways of interest are compared with one conventional pathway (Fischer-Tropsch) for the production of the hydrocarbon blendstocks. The processing steps of the four emerging pathways include biomass-to-syngas via indirect gasification, syngas clean-up, conversion of syngas to alcohols/oxygenates followed by conversion of alcohols/oxygenates to hydrocarbon blendstocks via dehydration, oligomerization, and hydrogenation. Conversion of biomass-derived syngas to oxygenated intermediates occurs via three different pathways, producing: (i) mixed alcohols over a MoS2 catalyst, (ii) mixed oxygenates (a mixture of C2+ oxygenated compounds, predominantly ethanol, acetic acid, acetaldehyde, ethyl acetate) using an Rh-based catalyst, and (iii) ethanol from syngas fermentation. This is followed by the conversion of oxygenates/alcohols to fuel-range olefins in two approaches: (i) mixed alcohols/ethanol to 1-butanol rich mixture via Guerbet reaction, followed by alcohol dehydration, oligomerization, and hydrogenation, and (ii) mixed oxygenates/ethanol to isobutene rich mixture and followed by oligomerization and hydrogenation. The design features a processing capacity of 2000 tonnes/day (2205 short tons) of dry biomass. The minimum fuel selling prices (MFSPs) for the four developing pathways range from $3.40 to $5.04 per gasoline-gallon equivalent (GGE), in 2011 US dollars. Sensitivity studies show that MFSPs can be improved with co-product credits and are comparable to the commercial Fischer-Tropsch benchmark ($3.58/GGE). Overall, this comparative TEA study documents potential economics for the developmental biofuel pathways via mixed oxygenates. (c) 2016 Society of Chemical Industry and John Wiley & Sons, Ltd
C1 [Tan, Eric C. D.] Natl Renewable Energy Lab, Biorefinery Anal Grp, Natl Bioenergy Ctr, Golden, CO USA.
[Snowden-Swan, Lesley J.] Pacific Northwest Natl Lab, Technoecon Anal & Life Cycle Anal Bioenergy Syst, Richland, WA USA.
[Talmadge, Michael] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO USA.
[Dutta, Abhijit; Zhang, Yanan] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Jones, Susanne] Pacific Northwest Natl Lab, Technoecon Anal, Richland, WA USA.
[Ramasamy, Karthikeyan K.] Pacific Northwest Natl Lab, Res & Proc Dev Producing Specialty Chem & Infrast, Richland, WA USA.
[Gray, Michel] Pacific Northwest Natl Lab, Biofuels Res, Richland, WA USA.
[Dagle, Robert; Gerber, Mark] Pacific Northwest Natl Lab, Richland, WA USA.
[Padmaperuma, Asanga] Pacific Northwest Natl Lab, Energy & Efficiency Div, Richland, WA USA.
[Sahir, Asad H.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Res Projects Related Conceptual Proc Design Techn, Golden, CO USA.
[Tao, Ling] Natl Renewable Energy Lab, Technoecon Anal Projects, Golden, CO USA.
RP Tan, ECD (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM eric.tan@nrel.gov
FU US Department of Energy Bioenergy Technologies Office
[DE-AC36-08-GO28308]; National Renewable Energy Laboratory; US
Department of Energy [DE-AC05-76RL01830]
FX This work was supported by the US Department of Energy Bioenergy
Technologies Office funding under Contract DE-AC36-08-GO28308 with the
National Renewable Energy Laboratory. Pacific Northwest National
Laboratory is operated for the US Department of Energy by Battelle under
Contract DE-AC05-76RL01830. The Fischer-Tropsch process model and
associated assumptions are based on earlier works by Ryan Davis, Ling
Tao and Asad Sahir at NREL. We would like to thank Steve Phillips at
PNNL for his thoughtful comments on this manuscript. The publisher, by
accepting the paper for publication, acknowledges that the US government
retains a non-exclusive, paid-up, irrevocable, worldwide license to
publish or reproduce the published form of this work, or allow others to
do so, for US government purposes.
NR 51
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U1 3
U2 3
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1932-104X
EI 1932-1031
J9 BIOFUEL BIOPROD BIOR
JI Biofuels Bioprod. Biorefining
PD JAN-FEB
PY 2017
VL 11
IS 1
BP 41
EP 66
DI 10.1002/bbb.1710
PG 26
WC Biotechnology & Applied Microbiology; Energy & Fuels
SC Biotechnology & Applied Microbiology; Energy & Fuels
GA EJ8DT
UT WOS:000393455900013
ER
PT J
AU Rogers, JN
Stokes, B
Dunn, J
Cai, H
Wu, M
Haq, Z
Baumes, H
AF Rogers, Jonathan N.
Stokes, Bryce
Dunn, Jennifer
Cai, Hao
Wu, May
Haq, Zia
Baumes, Harry
TI An assessment of the potential products and economic and environmental
impacts resulting from a billion ton bioeconomy
SO BIOFUELS BIOPRODUCTS & BIOREFINING-BIOFPR
LA English
DT Article
DE bioeconomy; biomass; bioenergy; biofuels; bioproducts
ID CONSERVATION; BIOENERGY
AB This paper is the summation of several analyses to assess the size and benefits of a Billion Ton Bioeconomy, a vision to enable a sustainable market for producing and converting a billion tons of US biomass to bio-based energy, fuels, and products by 2030. Two alternative biomass availability scenarios in 2030, defined as the (i) Business-as-usual (598 million dry tons) and (ii) Billion Ton (1042 million dry tons), establish a range of possible outcomes for the future bioeconomy. The biomass utilized in the current (2014) (365 million dry tons) economy is estimated to displace approximately 2.4% of fossil energy consumption and avoid 116 million tons of CO2-equivalent (CO(2)e) emissions, whereas the Billion Ton bioeconomy of 2030 could displace 9.5% of fossil energy consumption and avoid as much as 446 million tons of CO2 equivalent emissions annually. Developing the integrated systems, supply chains, and infrastructure to efficiently grow, harvest, transport, and convert large quantities of biomass in a sustainable way could support the transition to a low-carbon economy. Bio-based activities in the current (2014) economy are estimated to have directly generated more than $48 billion in revenue and 285 000 jobs. Our estimates show that developing biomass resources and addressing current limitations to achieve a Billion Ton bioeconomy could expand direct bioeconomy revenue by a factor of 5 to contribute nearly $259 billion and 1.1 million jobs to the US economy by 2030. (c) 2016 Society of Chemical Industry and John Wiley & Sons, Ltd
C1 [Rogers, Jonathan N.] Energetics Inc, Div Sci & Technol, 7067 Columbia Gateway Dr, Columbia, MD 21046 USA.
[Stokes, Bryce] Allegheny Sci & Technol, Washington, DC USA.
[Dunn, Jennifer] Argonne Natl Lab, Biofuel Anal Team, Argonne, IL 60439 USA.
[Cai, Hao] Argonne Natl Lab, Argonne, IL 60439 USA.
[Wu, May] Argonne Natl Lab, Water Sustainabil Anal Biofuel Prod, Argonne, IL 60439 USA.
[Haq, Zia] US DOE, Bioenergy Technol Off BETO, Washington, DC 20585 USA.
[Baumes, Harry] USDA, Off Energy Policy & New Uses, Off Chief Economist, Washington, DC 20250 USA.
RP Rogers, JN (reprint author), Energetics Inc, Div Sci & Technol, 7067 Columbia Gateway Dr, Columbia, MD 21046 USA.
EM jrogers@energetics.com
NR 44
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U1 2
U2 2
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1932-104X
EI 1932-1031
J9 BIOFUEL BIOPROD BIOR
JI Biofuels Bioprod. Biorefining
PD JAN-FEB
PY 2017
VL 11
IS 1
BP 110
EP 128
DI 10.1002/bbb.1728
PG 19
WC Biotechnology & Applied Microbiology; Energy & Fuels
SC Biotechnology & Applied Microbiology; Energy & Fuels
GA EJ8DT
UT WOS:000393455900016
ER
PT J
AU Ebadian, M
Sokhansanj, S
Webb, E
AF Ebadian, Mahmood
Sokhansanj, Shahab
Webb, Erin
TI Estimating the required logistical resources to support the development
of a sustainable corn stover bioeconomy in the USA
SO BIOFUELS BIOPRODUCTS & BIOREFINING-BIOFPR
LA English
DT Article
DE corn stover; cellulosic ethanol; biorefinery; logistical resources;
bioeconomy; IBSAL-MC
ID BIOMASS SUPPLY CHAIN; FUEL DELIVERY-SYSTEMS; SIMULATION-MODEL; BIOENERGY
INDUSTRY; BIOREFINERY; DESIGN; SWITCHGRASS; HARVEST; STRAW; FEEDSTOCKS
AB In this study, the logistical resources required to develop a bioeconomy based on corn stover in the USA are quantified, including field equipment, storage sites, transportation and handling equipment, workforce, corn growers, and corn lands. These resources are essential to mobilize large quantities of corn stover from corn fields to biorefineries. The logistical resources are estimated over the lifetime of the biorefineries. Seventeen corn-growing states are considered for the logistical resource assessment. Over 6.8 billion gallons of cellulosic ethanol can be produced annually from 108 million dry tons of corn stover in these states. The maximum number of required field equipment (i.e., choppers, balers, collectors, loaders, and tractors) is estimated to be 194 110 units with a total economic value of about $26 billion. In addition, 40 780 trucks and flatbed trailers would be required to transport bales from corn fields and storage sites to biorefineries with a total economic value of $4.0 billion. About 88 899 corn growers need to be contracted with an annual net income of over $2.1 billion. About 1903 storage sites would be required to hold 53.1 million dry tons of inventory after the harvest season. These storage sites would take up about 35 320.2 acres and 4077 loaders with an economic value of $0.4 billion would handle this inventory. The total required workforce to run the logistics operations is estimated to be 50 567. The magnitude of the estimated logistical resources demonstrates the economic and social significance of the corn stover bioeconomy in rural areas in the USA. (c) 2016 Society of Chemical Industry and John Wiley & Sons, Ltd
C1 [Ebadian, Mahmood] Univ British Columbia, Dept Chem & Biol Engn, Vancouver, BC, Canada.
[Sokhansanj, Shahab] Univ British Columbia, Vancouver, BC, Canada.
[Sokhansanj, Shahab; Webb, Erin] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Ebadian, M (reprint author), 2360 East Mall, Vancouver, BC V6T 2A1, Canada.
EM mebadian@interchange.ubc.ca
FU U.S. Department of Energy [4000142499-00]; DOE Public Access Plan
FX This manuscript has been authored by UT-Battelle, LLC under Subcontract#
4000142499-00 with the U.S. Department of Energy. The United States
Government retains and the publisher, by accepting the article for
publication, acknowledges that the United States Government retains a
non-exclusive, paid-up, irrevocable, world-wide license to publish or
reproduce the published form of this manuscript, or allow others to do
so, for United States Government purposes. The Department of Energy will
provide public access to these results of federally sponsored research
in accordance with the DOE Public Access Plan
(http://energy.gov/downloads/doe-public-access-plan). The authors
gratefully acknowledge Glenn Farris of AGCO for insights and assistance
with collecting the logistics equipment data.
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PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1932-104X
EI 1932-1031
J9 BIOFUEL BIOPROD BIOR
JI Biofuels Bioprod. Biorefining
PD JAN-FEB
PY 2017
VL 11
IS 1
BP 129
EP 149
DI 10.1002/bbb.1736
PG 21
WC Biotechnology & Applied Microbiology; Energy & Fuels
SC Biotechnology & Applied Microbiology; Energy & Fuels
GA EJ8DT
UT WOS:000393455900017
ER
PT J
AU An, FP
Balantekin, AB
Band, HR
Bishai, M
Blyth, S
Cao, D
Cao, GF
Cao, J
Cen, WR
Chan, YL
Chang, JF
Chang, LC
Chang, Y
Chen, HS
Chen, QY
Chen, SM
Chen, YX
Chen, Y
Cheng, JH
Cheng, J
Cheng, YP
Cheng, ZK
Cherwinka, JJ
Chu, MC
Chukanov, A
Cummings, JP
de Arcos, J
Deng, ZY
Ding, XF
Ding, YY
Diwan, MV
Dolgareva, M
Dove, J
Dwyer, DA
Edwards, WR
Gill, R
Gonchar, M
Gong, GH
Gong, H
Grassi, M
Gu, WQ
Guan, MY
Guo, L
Guo, RP
Guo, XH
Guo, Z
Hackenburg, RW
Han, R
Hans, S
He, M
Heeger, KM
Heng, YK
Higuera, A
Hor, YK
Hsiung, YB
Hu, BZ
Hu, T
Hu, W
Huang, EC
Huang, HX
Huang, XT
Huber, P
Huo, W
Hussain, G
Jaffe, DE
Jaffke, P
Jen, KL
Jetter, S
Ji, XP
Ji, XL
Jiao, JB
Johnson, RA
Jones, D
Joshi, J
Kang, L
Kettell, SH
Kohn, S
Kramer, M
Kwan, KK
Kwok, MW
Kwok, T
Langford, TJ
Lau, K
Lebanowski, L
Lee, J
Lee, JHC
Lei, RT
Leitner, R
Li, C
Li, DJ
Li, F
Li, GS
Li, QJ
Li, S
Li, SC
Li, WD
Li, XN
Li, YF
Li, ZB
Liang, H
Lin, CJ
Lin, GL
Lin, S
Lin, SK
Lin, YC
Ling, JJ
Link, JM
Littenberg, L
Littlejohn, BR
Liu, DW
Liu, JL
Liu, JC
Loh, CW
Lu, C
Lu, HQ
Lu, JS
Luk, KB
Lv, Z
Ma, QM
Ma, XY
Ma, XB
Ma, YQ
Malyshkin, Y
Caicedo, DAM
McDonald, KT
McKeown, RD
Mitchell, I
Mooney, M
Nakajima, Y
Napolitano, J
Naumov, D
Naumovam, E
Ngai, HY
Ning, Z
Ochoa-Ricoux, JP
Olshevskiy, A
Pan, HR
Park, J
Patton, S
Pec, V
Peng, JC
Pinsky, L
Pun, CSJ
Qi, FZ
Qi, M
Qian, X
Raper, N
Ren, J
Rosero, R
Roskovec, B
Ruan, XC
Steiner, H
Sun, GX
Sun, JL
Tang, W
Taychenachev, D
Treskov, K
Tsang, KV
Tull, CE
Viaux, N
Viren, B
Vorobel, V
Wang, CH
Wang, M
Wang, NY
Wang, RG
Wang, W
Wang, X
Wang, YF
Wang, Z
Wang, Z
Wang, ZM
Wei, HY
Wen, LJ
Whisnant, K
White, CG
Whitehead, L
Wise, T
Wong, HLH
Wong, SCF
Worcester, E
Wu, CH
Wu, Q
Wu, WJ
Xia, DM
Xia, JK
Xing, ZZ
Xu, JY
Xu, JL
Xu, Y
Xue, T
Yang, CG
Yang, H
Yang, L
Yang, MS
Yang, MT
Ye, M
Ye, Z
Yeh, M
Young, BL
Yu, ZY
Zeng, S
Zhan, L
Zhang, C
Zhang, HH
Zhang, JW
Zhang, QM
Zhang, XT
Zhang, YM
Zhang, YX
Zhang, YM
Zhang, ZJ
AF An, F. P.
Balantekin, A. B.
Band, H. R.
Bishai, M.
Blyth, S.
Cao, D.
Cao, G. F.
Cao, J.
Cen, W. R.
Chan, Y. L.
Chang, J. F.
Chang, L. C.
Chang, Y.
Chen, H. S.
Chen, Q. Y.
Chen, S. M.
Chen, Y. X.
Chen, Y.
Cheng, J. -H.
Cheng, J.
Cheng, Y. P.
Cheng, Z. K.
Cherwinka, J. J.
Chu, M. C.
Chukanov, A.
Cummings, J. P.
de Arcos, J.
Deng, Z. Y.
Ding, X. F.
Ding, Y. Y.
Diwan, M. V.
Dolgareva, M.
Dove, J.
Dwyer, D. A.
Edwards, W. R.
Gill, R.
Gonchar, M.
Gong, G. H.
Gong, H.
Grassi, M.
Gu, W. Q.
Guan, M. Y.
Guo, L.
Guo, R. P.
Guo, X. H.
Guo, Z.
Hackenburg, R. W.
Han, R.
Hans, S.
He, M.
Heeger, K. M.
Heng, Y. K.
Higuera, A.
Hor, Y. K.
Hsiung, Y. B.
Hu, B. Z.
Hu, T.
Hu, W.
Huang, E. C.
Huang, H. X.
Huang, X. T.
Huber, P.
Huo, W.
Hussain, G.
Jaffe, D. E.
Jaffke, P.
Jen, K. L.
Jetter, S.
Ji, X. P.
Ji, X. L.
Jiao, J. B.
Johnson, R. A.
Jones, D.
Joshi, J.
Kang, L.
Kettell, S. H.
Kohn, S.
Kramer, M.
Kwan, K. K.
Kwok, M. W.
Kwok, T.
Langford, T. J.
Lau, K.
Lebanowski, L.
Lee, J.
Lee, J. H. C.
Lei, R. T.
Leitner, R.
Li, C.
Li, D. J.
Li, F.
Li, G. S.
Li, Q. J.
Li, S.
Li, S. C.
Li, W. D.
Li, X. N.
Li, Y. F.
Li, Z. B.
Liang, H.
Lin, C. J.
Lin, G. L.
Lin, S.
Lin, S. K.
Lin, Y. -C.
Ling, J. J.
Link, J. M.
Littenberg, L.
Littlejohn, B. R.
Liu, D. W.
Liu, J. L.
Liu, J. C.
Loh, C. W.
Lu, C.
Lu, H. Q.
Lu, J. S.
Luk, K. B.
Lv, Z.
Ma, Q. M.
Ma, X. Y.
Ma, X. B.
Ma, Y. Q.
Malyshkin, Y.
Caicedo, D. A. Martinez
McDonald, K. T.
McKeown, R. D.
Mitchell, I.
Mooney, M.
Nakajima, Y.
Napolitano, J.
Naumov, D.
Naumovam, E.
Ngai, H. Y.
Ning, Z.
Ochoa-Ricoux, J. P.
Olshevskiy, A.
Pan, H. -R.
Park, J.
Patton, S.
Pec, V.
Peng, J. C.
Pinsky, L.
Pun, C. S. J.
Qi, F. Z.
Qi, M.
Qian, X.
Raper, N.
Ren, J.
Rosero, R.
Roskovec, B.
Ruan, X. C.
Steiner, H.
Sun, G. X.
Sun, J. L.
Tang, W.
Taychenachev, D.
Treskov, K.
Tsang, K. V.
Tull, C. E.
Viaux, N.
Viren, B.
Vorobel, V.
Wang, C. H.
Wang, M.
Wang, N. Y.
Wang, R. G.
Wang, W.
Wang, X.
Wang, Y. F.
Wang, Z.
Wang, Z.
Wang, Z. M.
Wei, H. Y.
Wen, L. J.
Whisnant, K.
White, C. G.
Whitehead, L.
Wise, T.
Wong, H. L. H.
Wong, S. C. F.
Worcester, E.
Wu, C. -H.
Wu, Q.
Wu, W. J.
Xia, D. M.
Xia, J. K.
Xing, Z. Z.
Xu, J. Y.
Xu, J. L.
Xu, Y.
Xue, T.
Yang, C. G.
Yang, H.
Yang, L.
Yang, M. S.
Yang, M. T.
Ye, M.
Ye, Z.
Yeh, M.
Young, B. L.
Yu, Z. Y.
Zeng, S.
Zhan, L.
Zhang, C.
Zhang, H. H.
Zhang, J. W.
Zhang, Q. M.
Zhang, X. T.
Zhang, Y. M.
Zhang, Y. X.
Zhang, Y. M.
Zhang, Z. J.
TI Improved measurement of the reactor antineutrino flux and spectrum at
Daya Bay
SO CHINESE PHYSICS C
LA English
DT Article
DE antineutrino flux; energy spectrum; reactor; Daya Bay
ID NEUTRON FISSION-PRODUCTS; LONG-BASE-LINE; OSCILLATIONS; CALIBRATION;
DETECTORS; THETA(13); SEARCH; SYSTEM; PU-239
AB A new measurement of the reactor antineutrino flux and energy spectrum by the Daya Bay reactor neutrino experiment is reported. The antineutrinos were generated by six 2.9 GW(th) nuclear reactors and detected by eight antineutrino detectors deployed in two near (560 m and 600 m flux-weighted baselines) and one far (1640 m flux-weighted baseline) underground experimental halls. With 621 days of data, more than 1.2 million inverse beta decay (IBD) candidates were detected. The IBD yield in the eight detectors was measured, and the ratio of measured to predicted flux was found to be 0.946 +/- 0.020 (0.992 +/- 0.021) for the Huber+Mueller (ILL+Vogel) model. A 2.9 sigma deviation was found in the measured IBD positron energy spectrum compared to the predictions. In particular, an excess of events in the region of 4-6 MeV was found in the measured spectrum, with a local significance of 4.4 sigma. A reactor antineutrino spectrum weighted by the IBD cross section is extracted for model-independent predictions.
C1 [An, F. P.] East China Univ Sci & Technol, Inst Modern Phys, Shanghai, Peoples R China.
[Balantekin, A. B.; Cherwinka, J. J.; Wise, T.] Univ Wisconsin, Madison, WI 53706 USA.
[Band, H. R.; Heeger, K. M.; Langford, T. J.] Yale Univ, Dept Phys, New Haven, CT 06520 USA.
[Bishai, M.; Diwan, M. V.; Gill, R.; Hackenburg, R. W.; Hans, S.; Jaffe, D. E.; Joshi, J.; Kettell, S. H.; Littenberg, L.; Mooney, M.; Qian, X.; Rosero, R.; Tang, W.; Viren, B.; Worcester, E.; Yeh, M.; Zhang, C.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Blyth, S.; Hsiung, Y. B.; Hu, B. Z.; Lin, Y. -C.; Pan, H. -R.] Natl Taiwan Univ, Dept Phys, Taipei, Taiwan.
[Blyth, S.; Chang, Y.; Wang, C. H.] Natl United Univ, Miaoli, Taiwan.
[Cao, D.; Loh, C. W.; Qi, M.; Yang, H.] Nanjing Univ, Nanjing, Jiangsu, Peoples R China.
[Cao, G. F.; Cao, J.; Cen, W. R.; Chang, J. F.; Chen, H. S.; Ding, X. F.; Grassi, M.; Guan, M. Y.; Guo, R. P.; He, M.; Hu, T.; Hu, W.; Jetter, S.; Ji, X. L.; Li, F.; Li, Q. J.; Li, W. D.; Li, X. N.; Li, Y. F.; Liu, J. C.; Lu, H. Q.; Lu, J. S.; Ma, Q. M.; Ma, X. Y.; Qi, F. Z.; Sun, G. X.; Wang, R. G.; Wang, Y. F.; Wen, L. J.; Wu, W. J.; Xia, J. K.; Xu, J. L.; Yang, C. G.; Yang, M. S.; Ye, M.; Zeng, S.; Zhan, L.; Zhang, J. W.; Zhang, X. T.] Inst High Energy Phys, Beijing, Peoples R China.
[Chan, Y. L.; Chu, M. C.; Kwan, K. K.; Kwok, M. W.; Xu, J. Y.] Chinese Univ Hong Kong, Hong Kong, Hong Kong, Peoples R China.
[Chang, L. C.; Cheng, J. -H.; Jen, K. L.; Lin, G. L.; Wu, C. -H.] Natl Chiao Tung Univ, Inst Phys, Hsinchu, Taiwan.
[Chen, Q. Y.; Cheng, J.; Huang, X. T.; Jiao, J. B.; Li, C.; Wang, M.; Wu, Q.; Yang, M. T.] Shandong Univ, Jinan, Peoples R China.
[Chen, S. M.; Gong, G. H.; Gong, H.; Guo, L.; Guo, Z.; Hussain, G.; Ji, X. P.; Lebanowski, L.; Wang, Z.; Wei, H. Y.; Xue, T.; Zhang, Y. M.] Tsinghua Univ, Dept Engn Phys, Beijing, Peoples R China.
[Chen, Y. X.; Han, R.; Ma, X. B.] North China Elect Power Univ, Beijing, Peoples R China.
[Chen, Y.] Shenzhen Univ, Shenzhen, Peoples R China.
[Cheng, Z. K.; Li, Z. B.; Ling, J. J.; Wang, W.; Wong, S. C. F.; Xu, Y.; Zhang, H. H.; Zhang, Y. M.] Sun Yat Sen Zhongshan Univ, Guangzhou, Guangdong, Peoples R China.
[Chukanov, A.; Dolgareva, M.; Gonchar, M.; Naumov, D.; Naumovam, E.; Olshevskiy, A.; Taychenachev, D.; Treskov, K.] Joint Inst Nucl Res, Dubna, Russia.
[Cummings, J. P.] Siena Coll, New York, NY 12211 USA.
[Dove, J.; Huang, E. C.; Peng, J. C.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA.
[Dwyer, D. A.; Edwards, W. R.; Kramer, M.; Lee, J.; Lin, C. J.; Luk, K. B.; Nakajima, Y.; Patton, S.; Steiner, H.; Tsang, K. V.; Tull, C. E.; Wong, H. L. H.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Gu, W. Q.; Li, G. S.; Liu, J. L.] Shanghai Jiao Tong Univ, Shanghai Lab Particle Phys & Cosmol, Dept Phys & Astron, Shanghai, Peoples R China.
[Guo, X. H.; Wang, N. Y.] Beijing Normal Univ, Beijing, Peoples R China.
[Higuera, A.; Lau, K.; Lin, S. K.; Liu, D. W.; Mitchell, I.; Pinsky, L.; Whitehead, L.; Ye, Z.] Univ Houston, Dept Phys, Houston, TX 77204 USA.
[Hor, Y. K.; Huber, P.; Jaffke, P.; Li, S. C.; Link, J. M.; Park, J.] Virginia Tech, Ctr Neutrino Phys, Blacksburg, VA 24061 USA.
[Huang, H. X.; Ren, J.; Ruan, X. C.] China Inst Atom Energy, Beijing, Peoples R China.
[Huo, W.; Li, D. J.; Liang, H.] Univ Sci & Technol China, Hefei, Peoples R China.
[Ji, X. P.] Nankai Univ, Sch Phys, Tianjin, Peoples R China.
[Johnson, R. A.] Univ Cincinnati, Dept Phys, Cincinnati, OH 45221 USA.
[Jones, D.; Napolitano, J.] Temple Univ, Dept Phys, Coll Sci & Technol, Philadelphia, PA 19122 USA.
[Kang, L.; Lei, R. T.; Li, S.; Lin, S.; Yang, L.; Zhang, Z. J.] Dongguan Univ Technol, Dongguan, Peoples R China.
[Kohn, S.; Kramer, M.; Luk, K. B.; Steiner, H.; Wong, H. L. H.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Kwok, T.; Lee, J. H. C.; Li, S. C.; Ngai, H. Y.; Pun, C. S. J.] Univ Hong Kong, Dept Phys, Pokfulam, Hong Kong, Peoples R China.
[Leitner, R.; Pec, V.; Roskovec, B.; Vorobel, V.] Charles Univ Prague, Fac Math & Phys, Prague, Czech Republic.
[Lu, C.; McDonald, K. T.] Princeton Univ, Joseph Henry Labs, Princeton, NJ 08544 USA.
[Lv, Z.; Zhang, Q. M.] Xi An Jiao Tong Univ, Sch Energy & Power Engn, Dept Nucl Sci & Technol, Xian, Peoples R China.
[Malyshkin, Y.; Ochoa-Ricoux, J. P.; Viaux, N.] Pontificia Univ Catolica Chile, Inst Fis, Santiago, Spain.
[McKeown, R. D.] CALTECH, Pasadena, CA 91125 USA.
[McKeown, R. D.; Wang, W.] Coll William & Mary, Williamsburg, VA 23187 USA.
[Raper, N.] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA.
[Sun, J. L.; Zhang, Y. X.] China Gen Nucl Power Grp, Changsha, Hunan, Peoples R China.
[Wang, X.] Natl Univ Def Technol, Coll Elect Sci & Engn, Changsha, Peoples R China.
[Whisnant, K.; Young, B. L.] Iowa State Univ, Ames, IA 50011 USA.
[Xia, D. M.] Chongqing Univ, Chongqing, Peoples R China.
RP Hans, S (reprint author), CUNY Bronx Community Coll, Dept Chem & Chem Technol, Bronx, NY 10453 USA.
RI Wei, Hanyu/D-7291-2017;
OI Wei, Hanyu/0000-0003-1973-4912; Grassi, Marco/0000-0003-2422-6736
FU Ministry of Science and Technology of China; United States Department of
Energy; Chinese Academy of Sciences; CAS Center for Excellence in
Particle Physics; National Natural Science Foundation of China;
Guangdong provincial government; Shenzhen municipal government; China
General Nuclear Power Group; Research Grants Council of the Hong Kong
Special Administrative Region of China; MOST and MOE in Taiwan; U.S.
National Science Foundation; Ministry of Education, Youth and Sports of
the Czech Republic; Joint Institute of Nuclear Research in Dubna,
Russia; NSFC-RFBR joint research program; National Commission for
Scientific and Technological Research of Chile
FX Supported in part by the Ministry of Science and Technology of China,
the United States Department of Energy, the Chinese Academy of Sciences,
the CAS Center for Excellence in Particle Physics, the National Natural
Science Foundation of China, the Guangdong provincial government, the
Shenzhen municipal government, the China General Nuclear Power Group,
the Research Grants Council of the Hong Kong Special Administrative
Region of China, the MOST and MOE in Taiwan, the U.S. National Science
Foundation, the Ministry of Education, Youth and Sports of the Czech
Republic, the Joint Institute of Nuclear Research in Dubna, Russia, the
NSFC-RFBR joint research program, the National Commission for Scientific
and Technological Research of Chile
NR 67
TC 1
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U1 8
U2 8
PU CHINESE PHYSICAL SOC
PI BEIJING
PA P O BOX 603, BEIJING 100080, PEOPLES R CHINA
SN 1674-1137
J9 CHINESE PHYS C
JI Chin. Phys. C
PD JAN
PY 2017
VL 41
IS 1
AR 013002
DI 10.1088/1674-1137/41/1/013002
PG 36
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA EJ5JL
UT WOS:000393254200002
ER
PT J
AU Wallace, RA
Lavrik, NV
Sepaniak, MJ
AF Wallace, Ryan A.
Lavrik, Nickolay V.
Sepaniak, Michael J.
TI Ultra-thin layer chromatography with integrated silver colloid-based
SERS detection
SO ELECTROPHORESIS
LA English
DT Article
DE Photolithography; SERS; Ultra-thin layer chromatograpy
ID SURFACE-ENHANCED RAMAN; PERFORMANCE LIQUID-CHROMATOGRAPHY; DER-WAALS
INTERACTIONS; PURINE-BASES; SPECTROSCOPIC DETECTION; PILLAR ARRAYS;
SCATTERING; SEPARATIONS; ADSORPTION; COLUMNS
AB Simplified lab-on-a-chip techniques are desirable for quick and efficient detection of analytes of interest in the field. The following work involves the use of deterministic pillar arrays on the micro-scale as a platform to separate compounds, and the use of Ag colloid within the arrays as a source of increased signal via surface enhanced Raman spectroscopy (SERS). One problem traditionally seen with SERS surfaces containing Ag colloid is oxidation; however, our platforms are superhydrophobic, reducing the amount of oxidation taking place on the surface of the Ag colloid. This work includes the successful separation and SERS detection of a fluorescent dye compounds (resorufin and sulforhodamine 640), fluorescent anti-tumor drugs (Adriamycin and Daunomycin), and purine and pyrimidine bases (adenine, cytosine, guanine, hypoxanthine, and thymine).
C1 [Wallace, Ryan A.; Sepaniak, Michael J.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
[Lavrik, Nickolay V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37830 USA.
RP Sepaniak, MJ (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37830 USA.
EM msepaniak@utk.edu
FU National Science Foundation [CHE-1144947]; University of Tennessee; Oak
Ridge National Laboratory by the Scientific User Facilities Division,
Office of Basic Energy Sciences, U.S. Department of Energy
FX All authors have given approval to the final version of the manuscript.
This material is based upon work supported by the National Science
Foundation under Grant CHE-1144947 with the University of Tennessee. A
portion of this research was conducted at the Center for Nanophase
Materials Sciences, which is sponsored at Oak Ridge National Laboratory
by the Scientific User Facilities Division, Office of Basic Energy
Sciences, U.S. Department of Energy.
NR 41
TC 0
Z9 0
U1 9
U2 9
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0173-0835
EI 1522-2683
J9 ELECTROPHORESIS
JI Electrophoresis
PD JAN
PY 2017
VL 38
IS 2
BP 361
EP 367
DI 10.1002/elps.201600319
PG 7
WC Biochemical Research Methods; Chemistry, Analytical
SC Biochemistry & Molecular Biology; Chemistry
GA EJ5ZO
UT WOS:000393298200016
PM 27515468
ER
PT J
AU Li, W
Body, M
Legein, C
Borkiewicz, OJ
Dambournet, D
AF Li, Wei
Body, Monique
Legein, Christophe
Borkiewicz, Olaf J.
Dambournet, Damien
TI Solvothermal Temperature Drives Morphological and Compositional Changes
through Dehydroxyfluorination in Anatase Nanoparticles
SO EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
LA English
DT Article
DE Titanium; Fluorides; Nanoparticles; Solvothermal synthesis; Anatase;
Oriented assembly
ID EXPOSED 001 FACETS; PHOTOCATALYTIC ACTIVITY; TIO2; PERCENTAGE;
NANOSHEETS; STABILITY; CRYSTALS; INSIGHTS; DETECTOR; TITANIA
AB The reaction system employing titanium alkoxide and hydrofluoric acid under solvothermal conditions has been widely used to prepare anisotropic anatase crystals featuring a large percentage of reactive {001} facets. Nevertheless, such a reaction system leads to the stabilization of both the fluoride and hydroxide-substituting oxide in the anatase network. The presence of both anions is compensated by the stabilization of titanium vacancies. In this work, we demonstrate that the synthesis temperature not only impacts the morphology of the as prepared nanoparticles but also their chemical composition/structural features. Depending on the reaction temperature, two main crystal growth mechanisms that are anisotropic and/or driven by oriented attachment were observed. The morphological changes are associated with a variation of the composition. Particularly, high temperature allows to eliminate most of the OH groups through oxolation reactions, but fluorine is thermally more stable as demonstrated by H-1 and F-19 solid-state NMR spectroscopy. This work confirms that the abovementioned reaction system does not lead to pure titanium dioxide, which is an important aspect in linking composition/morphological features to the physico-chemical properties.
C1 [Li, Wei; Dambournet, Damien] UPMC Univ Paris 06, Sorbonne Univ, CNRS, Lab PHENIX,Case 51, 4 Pl Jussieu, F-75005 Paris, France.
[Body, Monique; Legein, Christophe] Univ Maine, Univ Bretagne Loire, CNRS, IMMM,UMR 6283, Ave Olivier Messiaen, F-72085 Le Mans 9, France.
[Borkiewicz, Olaf J.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA.
RP Dambournet, D (reprint author), UPMC Univ Paris 06, Sorbonne Univ, CNRS, Lab PHENIX,Case 51, 4 Pl Jussieu, F-75005 Paris, France.
EM damien.dambournet@upmc.fr
RI Legein, Christophe/B-3553-2008
OI Legein, Christophe/0000-0001-7426-8817
FU People Programme (Marie Curie Actions) of European Union's Seventh
Framework Programme under REA grant [321879]; DOE Office of Science by
Argonne National Laboratory [DE-AC02-06CH11357]
FX The research leading to these results has received funding from the
People Programme (Marie Curie Actions) of the European Union's Seventh
Framework Programme (FP7/2007-2013) under REA grant agreement no[321879]
(FLUOSYNES). S. Casale is acknowledged for HRTEM measurements. This
research used resources of the Advanced Photon Source, a U.S. Department
of Energy (DOE) Office of Science user facility operated for the DOE
Office of Science by Argonne National Laboratory under contract no.
DE-AC02-06CH11357.
NR 25
TC 0
Z9 0
U1 1
U2 1
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 1434-1948
EI 1099-0682
J9 EUR J INORG CHEM
JI Eur. J. Inorg. Chem.
PD JAN
PY 2017
IS 1
BP 192
EP 197
DI 10.1002/ejic.201601160
PG 6
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA EJ7MC
UT WOS:000393404800023
ER
PT J
AU Chandrasekaran, SK
Crawford, AC
AF Chandrasekaran, Saravan K.
Crawford, Anthony C.
TI Demagnetization of a Complete Superconducting Radiofrequency Cryomodule:
Theory and Practice
SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY
LA English
DT Article
DE Cryomodule; demagnetization; superconducting radio frequency (SRF)
AB A significant advance in magnetic field management in a fully assembled superconducting radiofrequency cryomodule has been achieved and is reported here. Demagnetization of the entire cryomodule after assembly is a crucial step toward the goal of average magnetic flux density less than 0.5 mu T at the location of the superconducting radio frequency cavities. An explanation of the physics of demagnetization and experimental results are presented.
C1 [Chandrasekaran, Saravan K.; Crawford, Anthony C.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Chandrasekaran, SK (reprint author), Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
EM saravan@fnal.gov; acc52@fnal.gov
OI Crawford, Anthony C./0000-0003-4867-0495
FU Fermi Research Alliance, LLC [De-AC02-07CH11359]; United States
Department of Energy
FX Fermilab is operated by Fermi Research Alliance, LLC under Contract no.
De-AC02-07CH11359 with the United States Department of Energy. This
paper was recommended by Associate Editor C. Luongo.
NR 10
TC 0
Z9 0
U1 0
U2 0
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 1051-8223
EI 1558-2515
J9 IEEE T APPL SUPERCON
JI IEEE Trans. Appl. Supercond.
PD JAN
PY 2017
VL 27
IS 1
AR 3500406
DI 10.1109/TASC.2016.2635803
PG 6
WC Engineering, Electrical & Electronic; Physics, Applied
SC Engineering; Physics
GA EK2XR
UT WOS:000393790900001
ER
PT J
AU Camacho-Bunquin, J
Aich, P
Ferrandon, M
Getsoian, A
Das, U
Dogan, F
Curtiss, LA
Miller, JT
Marshall, CL
Hock, AS
Stair, PC
AF Camacho-Bunquin, Jeffrey
Aich, Payoli
Ferrandon, Magali
Getsoian, Andrew Bean
Das, Ujjal
Dogan, Fulya
Curtiss, Larry A.
Miller, Jeffrey T.
Marshall, Christopher L.
Hock, Adam S.
Stair, Peter C.
TI Single-site zinc on silica catalysts for propylene hydrogenation and
propane dehydrogenation: Synthesis and reactivity evaluation using an
integrated atomic layer deposition-catalysis instrument
SO JOURNAL OF CATALYSIS
LA English
DT Article
DE Hydrogenation; Dehydrogenation; Atomic layer deposition; Zinc
ID SURFACE ORGANOMETALLIC CHEMISTRY; H BOND ACTIVATION; HETEROGENEOUS
CATALYSTS; ZNO FILMS; NANOPARTICLES; STABILIZATION; TEMPERATURE; OXIDE
AB Alkyl-zinc and zinc oxide-type sites were synthesized via atomic layer deposition on high-surface-area silica using an integrated atomic layer deposition-catalysis instrument (I-ALD-CAT). One-cycle ALD experiments using diethylzinc (DEZ) afforded Zn/SiO2 systems that provided key insights into the reactivity and stability of Zn sites as a function of dispersion at the submonolayer level. The I-ALD-CAT tool design allowed for systematic comparison of the reactivity of different grafted zinc sites. Open-shell 16-lectron, tricoordinate ethyl zinc-silica sites exhibit higher activity in propane hydrogenation dehydrogenation compared to 18-electron, tetracoordinate zinc oxide-type centers. Silica surface saturation with Zn(II) sites (similar to 75% of a monolayer) results in facile zinc agglomeration and catalyst deactivation under reaction conditions. Reduced DEZ dosing coupled with thermal substrate pretreatment techniques (e.g., dehydration under vacuum) resulted in increased Zn dispersion and produced Zn/SiO2 catalysts with improved activity and stability under propylene hydrogenation (200 degrees C) and propane dehydrogenation (550 degrees C) conditions. (C) 2016 Published by Elsevier Inc.
C1 [Camacho-Bunquin, Jeffrey; Aich, Payoli; Ferrandon, Magali; Getsoian, Andrew Bean; Das, Ujjal; Dogan, Fulya; Curtiss, Larry A.; Miller, Jeffrey T.; Marshall, Christopher L.; Hock, Adam S.; Stair, Peter C.] Argonne Natl Lab, 9700 S Cass Ave, Lemont, IL 60439 USA.
[Aich, Payoli] Univ Illinois, Chicago, IL 60607 USA.
[Miller, Jeffrey T.] Purdue Univ, W Lafayette, IN 47907 USA.
[Hock, Adam S.] IIT, Chicago, IL 60616 USA.
[Stair, Peter C.] Northwestern Univ, Evanston, IL 60208 USA.
RP Hock, AS (reprint author), IIT, Chicago, IL 60616 USA.
EM ahock@iit.edu
OI Hock, Adam/0000-0003-1440-1473
FU U.S. Department of Energy (DOE), Office of Basic Energy Sciences,
Division of Chemical Sciences, Biosciences and Geosciences; U.S.
Department of Energy, Office of Science, and Office of the Basic Energy
Sciences [DE-AC-02-06CH11357]
FX The work at Argonne National Laboratory was supported by the U.S.
Department of Energy (DOE), Office of Basic Energy Sciences, Division of
Chemical Sciences, Biosciences and Geosciences. Use of the Advanced
Photon Source is supported by the U.S. Department of Energy, Office of
Science, and Office of the Basic Energy Sciences, under Contract
DE-AC-02-06CH11357. MRCAT operations are supported by the Department of
Energy and the MRCAT member institutions. High Resolution TEM images
were obtained at UIC's Research Resources Center facility using the
JEM-3010. The DFT calculations were performed using the computational
resources available at the Argonne National Laboratory Center for
Nanoscale Materials (CNM) and the computing resources provided on Fusion
and Blues, high-performance computing clusters operated by the
Laboratory Computing Resource Center at Argonne National Laboratory.
NR 48
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U1 13
U2 13
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0021-9517
EI 1090-2694
J9 J CATAL
JI J. Catal.
PD JAN
PY 2017
VL 345
BP 170
EP 182
DI 10.1016/j.jcat.2016.10.017
PG 13
WC Chemistry, Physical; Engineering, Chemical
SC Chemistry; Engineering
GA EJ9EO
UT WOS:000393529600016
ER
PT J
AU Sarmiento, AF
Cortes, AMA
Garcia, DA
Dalcin, L
Collier, N
Calo, VM
AF Sarmiento, A. F.
Cortes, A. M. A.
Garcia, D. A.
Dalcin, L.
Collier, N.
Calo, V. M.
TI PetIGA-MF: A multi-field high-performance toolbox for
structure-preserving B-splines spaces
SO JOURNAL OF COMPUTATIONAL SCIENCE
LA English
DT Article
DE Isogeometric analysis; Discrete differential forms; Structure-preserving
discrete spaces; Multi-field discretizations; PetIGA; High-performance
computing
ID NAVIER-STOKES EQUATIONS; ISOGEOMETRIC ANALYSIS; NUMERICAL-SOLUTION;
FLOW; ALGORITHM
AB We describe a high-performance solution framework for isogeometric discrete differential forms based on B-splines: PetIGA-MF. Built on top of PetIGA, an open-source library we have built and developed over the last decade, PetIGA-MF is a general multi-field discretization tool. To test the capabilities of our implementation, we solve different viscous flow problems such as Darcy, Stokes, Brinkman, and Navier-Stokes equations. Several convergence benchmarks based on manufactured solutions are presented assuring optimal convergence rates of the approximations, showing the accuracy and robustness of our solver. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Sarmiento, A. F.; Dalcin, L.] King Abdullah Univ Sci & Technol, ECRC, Thuwal, Saudi Arabia.
[Cortes, A. M. A.] Fed Univ State Rio de Janeiro, Dept Math & Stat, Rio De Janeiro, Brazil.
[Garcia, D. A.] BCAM, Bilbao, Spain.
[Dalcin, L.] UNL, Consejo Nacl Invest Cient & Tecn CONICET, Ctr Invest Metodos Computac CIMEC, Santa Fe, Argentina.
[Collier, N.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN USA.
[Calo, V. M.] Curtin Univ, Fac Sci & Engn, Western Australian Sch Mines, Appl Geol, Perth, WA 6845, Australia.
[Calo, V. M.] CSIRO, Mineral Resources, Kensington, WA 6152, Australia.
RP Sarmiento, AF (reprint author), 4700 King Abdullah Univ Sci & Technol, Thuwal 239556900, Saudi Arabia.
EM adel.sarmientorodriguez@kaust.edu.sa; adrimacortes@gmail.com;
dgarcia@bcamath.org; dalcinl@gmail.com; nathaniel.collier@gmail.com;
vmcalo@gmail.com
FU National Priorities Research Program from the Qatar National Research
Fund (a member of The Qatar Foundation) [7-1482-1-278]; European Union's
Horizon 2020 Research and Innovation Program of the Marie
Sklodowska-Curie [644602]; Center for Numerical Porous Media at King
Abdullah University of Science and Technology (KAUST); Agencia Nacional
de Promocion Cientifica y Tecnologica [PICT 2014-2660, PICT-E2014-0191];
J. Tinsley Oden Faculty Fellowship Research Program at the Institute for
Computational Engineering and Sciences (ICES) of the University of Texas
at Austin
FX This publication was made possible in part by a National Priorities
Research Program grant 7-1482-1-278 from the Qatar National Research
Fund (a member of The Qatar Foundation), by the European Union's Horizon
2020 Research and Innovation Program of the Marie Sklodowska-Curie grant
agreement No. 644602 and the Center for Numerical Porous Media at King
Abdullah University of Science and Technology (KAUST). L. Dalcin was
partially supported by Agencia Nacional de Promocion Cientifica y
Tecnologica grants PICT 2014-2660 and PICT-E2014-0191. The J. Tinsley
Oden Faculty Fellowship Research Program at the Institute for
Computational Engineering and Sciences (ICES) of the University of Texas
at Austin has partially supported the visits of VMC to ICES.
NR 28
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U1 3
U2 3
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1877-7503
J9 J COMPUT SCI-NETH
JI J. Comput. Sci.
PD JAN
PY 2017
VL 18
BP 117
EP 131
DI 10.1016/j.jocs.2016.09.010
PG 15
WC Computer Science, Interdisciplinary Applications; Computer Science,
Theory & Methods
SC Computer Science
GA EJ9EF
UT WOS:000393528700012
ER
PT J
AU Jablonski, PD
Hawk, JA
AF Jablonski, Paul D.
Hawk, Jeffrey A.
TI Homogenizing Advanced Alloys: Thermodynamic and Kinetic Simulations
Followed by Experimental Results
SO JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE
LA English
DT Article
DE creep and stress rupture; heat treatment; homogenization; mechanical;
modeling and simulation; stainless; steel; superalloys
AB Segregation of solute elements occurs in nearly all metal alloys during solidification. The resultant elemental partitioning can severely degrade as-cast material properties and lead to difficulties during post-processing (e.g., hot shorts and incipient melting). Many cast articles are subjected to a homogenization heat treatment in order to minimize segregation and improve their performance. Traditionally, homogenization heat treatments are based upon past practice or time-consuming trial and error experiments. Through the use of thermodynamic and kinetic modeling software, NETL has designed a systematic method to optimize homogenization heat treatments. Use of the method allows engineers and researchers to homogenize casting chemistries to levels appropriate for a given application. The method also allows for the adjustment of heat treatment schedules to fit limitations on in-house equipment (capability, reliability, etc.) while maintaining clear numeric targets for segregation reduction. In this approach, the Scheil module within Thermo-Calc is used to predict the as-cast segregation present within an alloy, and then diffusion controlled transformations is used to model homogenization kinetics as a function of time and temperature. Examples of computationally designed heat treatments and verification of their effects on segregation and properties of real castings are presented.
C1 [Jablonski, Paul D.; Hawk, Jeffrey A.] US DOE, Natl Energy Technol Lab, Albany, OR 97321 USA.
RP Jablonski, PD (reprint author), US DOE, Natl Energy Technol Lab, Albany, OR 97321 USA.
EM paul.jablonski@netl.doe.gov
FU United States Government
FX This report was prepared as an account of work sponsored by an agency of
the United States Government. Neither the United States Government nor
any agency thereof, nor any of their employees, makes any warranty,
express or implied, or assumes any legal liability or responsibility for
the accuracy, completeness, or usefulness of any information, apparatus,
product, or process disclosed, or represents that its use would not
infringe privately owned rights. Reference herein to any specific
commercial product, process, or service by trade name, trademark,
manufacturer, or otherwise does not necessarily constitute or imply its
endorsement, recommendation, or favoring by the United States Government
or any agency thereof. The views and opinions of authors expressed
herein do not necessarily state or reflect those of the United States
Government or any agency thereof.
NR 18
TC 0
Z9 0
U1 2
U2 2
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1059-9495
EI 1544-1024
J9 J MATER ENG PERFORM
JI J. Mater. Eng. Perform.
PD JAN
PY 2017
VL 26
IS 1
BP 4
EP 13
DI 10.1007/s11665-016-2451-3
PG 10
WC Materials Science, Multidisciplinary
SC Materials Science
GA EJ3JK
UT WOS:000393108200003
ER
PT J
AU Sahu, SK
Boatner, LA
Navrotsky, A
AF Sahu, Sulata K.
Boatner, Lynn A.
Navrotsky, Alexandra
TI Formation and Dehydration Enthalpy of Potassium Hexaniobate
SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY
LA English
DT Article
DE multilayers; photocatalysis; thermodynamics
ID LAYERED NIOBATE K4NB6O17; THERMODYNAMIC STABILITY; PEROVSKITES;
NANOTUBES; OXIDE; TRANSFORMATION; INTERCALATION; CALORIMETRY;
NANOSHEETS; NANOSCALE
AB The formation energetics of hydrous and dehydrated potassium hexaniobates are investigated using high-temperature oxide melt solution calorimetry. The enthalpies of formation of K4Nb6O17 and K(4)Nb(6)O(17)3H(2)O from oxides are (-864.42 +/- 10.63) and (-899.32 +/- 11.48) kJ/mol, respectively. The formation enthalpy of K4Nb6O17 from elements is (-7289.64 +/- 12.50) kJ/mol, and of K(4)Nb(6)O(17)3H(2)O is (-8181.94 +/- 13.24) kJ/mol. The enthalpy of dehydration (H-dehy) for the reaction K(4)Nb(6)O(17)3H(2)O (xl, 25 degrees C) = K4Nb6O17 (xl, 25 degrees C) + 3H(2)O (l, 25 degrees C) is endothermic and is 34.60 +/- 7.56 kJ/mol. The H-dehy per mole of water, 11.53 +/- 2.52 kJ/mol, indicates the water molecules in K(4)Nb(6)O(17)3H(2)O are not just physically adsorbed, but loosely bonded in the K4Nb6O17 phase, presumably in specific interlayer sites. The loss of this water near 100 degrees C on heating is consistent with the weak bonding of water.
C1 [Sahu, Sulata K.; Navrotsky, Alexandra] Univ Calif Davis, Peter A Rock Thermochem Lab, Davis, CA 95616 USA.
[Sahu, Sulata K.; Navrotsky, Alexandra] Univ Calif Davis, NEAT ORU, Davis, CA 95616 USA.
[Sahu, Sulata K.] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA.
[Boatner, Lynn A.] Oak Ridge Natl Lab, Synth & Proc Novel Mat Grp, Oak Ridge, TN USA.
RP Navrotsky, A (reprint author), Univ Calif Davis, Peter A Rock Thermochem Lab, Davis, CA 95616 USA.; Navrotsky, A (reprint author), Univ Calif Davis, NEAT ORU, Davis, CA 95616 USA.
EM anavrotsky@ucdavis.edu
FU U.S. Department of Energy, Office of Basic Energy Sciences
[DE-FG02-03ER46053]
FX U.S. Department of Energy, Office of Basic Energy Sciences, Grant/Award
Number: DE-FG02-03ER46053;
NR 37
TC 0
Z9 0
U1 5
U2 5
PU WILEY
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0002-7820
EI 1551-2916
J9 J AM CERAM SOC
JI J. Am. Ceram. Soc.
PD JAN
PY 2017
VL 100
IS 1
BP 304
EP 311
DI 10.1111/jace.14465
PG 8
WC Materials Science, Ceramics
SC Materials Science
GA EK3XX
UT WOS:000393862800034
ER
PT J
AU Zhang, HY
Zhang, XQY
Cao, YY
Zeng, BB
Zhou, MD
Zhang, YP
AF Zhang, Huiyun
Zhang, Xiaoqiuyan
Cao, Yanyan
Zeng, Beibei
Zhou, Mingdong
Zhang, Yuping
TI Tunable terahertz electromagnetically induced transparency based on a
complementary graphene metamaterial
SO MATERIALS RESEARCH EXPRESS
LA English
DT Article
DE terahertz; electromagnetically induced transparency; graphene;
metamaterial
ID PLASMON-INDUCED TRANSPARENCY; LIGHT; RESONANCES; STORAGE; OPTICS
AB We proposed a dynamically tunable electromagnetically induced transparency (EIT) in the terahertz region based on a complementary graphene metamaterials within two asymmetric slot structures. A transparency peak is enabled through the coupling between the asymmetric slot-structure elements when their symmetry is broken. The width of transparency window can be controlled by varying the asymmetry degree. Moreover, by varying the Fermi energy of graphene, the transmission peak can be dynamically tuned, realizing a blue-shift without re-optimizing or re-fabricating the nanostructure. Therefore, the work opens up opportunities for the development of tunable compact elements such as slow light devices, sensors and switches.
C1 [Zhang, Huiyun; Zhang, Xiaoqiuyan; Cao, Yanyan; Zhou, Mingdong; Zhang, Yuping] Shandong Univ Sci & Technol, Qingdao Key Lab Terahertz Technol, Coll Elect Commun & Phys, Qingdao 266510, Peoples R China.
[Zeng, Beibei] Los Alamos Natl Lab, MPA CINT, MS K771, Los Alamos, NM 87545 USA.
RP Zhang, YP (reprint author), Shandong Univ Sci & Technol, Qingdao Key Lab Terahertz Technol, Coll Elect Commun & Phys, Qingdao 266510, Peoples R China.
EM zypphys@sdust.edu.cn
FU National Natural Science Foundation of China [61675118, 61505098];
Natural Science Foundation of Shandong Province, China [ZR2016FM09,
ZR2016FM32]; Qingdao city innovative leading talent plan [13-CX-25];
CAEP THz Science and Technology Foundation [201401]; Qingdao Economic
and Technical Development Zone Science and Technology Project
[2013-1-64]; undergraduate teaching youth talent training program of
SDUST [BJRC20160505]; China Scholarship Council
FX This work is supported by the National Natural Science Foundation of
China (Grant No. 61675118, 61505098), Natural Science Foundation of
Shandong Province, China (Grant No. ZR2016FM09, ZR2016FM32), Qingdao
city innovative leading talent plan (13-CX-25), the CAEP THz Science and
Technology Foundation (Grant No. 201401), Qingdao Economic and Technical
Development Zone Science and Technology Project (Grant No. 2013-1-64).
The undergraduate teaching youth talent training program of SDUST
(BJRC20160505) and the China Scholarship Council.
NR 37
TC 0
Z9 0
U1 23
U2 23
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 2053-1591
J9 MATER RES EXPRESS
JI Mater. Res. Express
PD JAN
PY 2017
VL 4
IS 1
AR 015002
DI 10.1088/2053-1591/aa5374
PG 9
WC Materials Science, Multidisciplinary
SC Materials Science
GA EK5NJ
UT WOS:000393972800001
ER
PT J
AU Wang, Z
Yin, YP
Ren, Y
Wang, ZY
Gao, M
Ma, TY
Zhuang, WD
Lu, SG
Fan, AL
Amine, K
Chen, ZH
AF Wang, Zhong
Yin, Yanping
Ren, Yang
Wang, Zhenyao
Gao, Min
Ma, Tianyuan
Zhuang, Weidong
Lu, Shigang
Fan, Ailing
Amine, Khalil
Chen, Zonghai
TI High performance lithium-manganese-rich cathode material with reduced
impurities
SO NANO ENERGY
LA English
DT Article
DE Lithium-manganese-rich transition metal oxide; Cathode; Lithium-ion
battery; Heterogeneity; In situ; High-energy X-ray diffraction
ID POSITIVE ELECTRODE MATERIAL; ION BATTERIES; ELECTROCHEMICAL PROPERTIES;
SPRAY-PYROLYSIS; LI2MNO3; LI; CAPACITY; MN; COPRECIPITATION; STABILITY
AB Lithium-manganese-rich transition metal oxides have attracted substantial R&D attention due to their potential for high energy-density lithium-ion batteries. In this work, in situ high-energy X-ray diffraction was deployed to investigate the phase evolution during the solid-state synthesis of Li[Li0.2Mn0.54Ni0.13Co0.13]O-2. A step-wise consumption of the starting materials was observed during the one-step heating process primarily due to the heterogeneous nature of the precursor. According to observations from in situ high-energy X-ray diffraction, a two-step process was adopted to minimize the elemental heterogeneity of the final product. The electrochemical characterization results showed a substantial improvement on the reversible specific capacity for the material synthesized through the two-step process.
C1 [Wang, Zhong; Yin, Yanping; Wang, Zhenyao; Gao, Min; Zhuang, Weidong; Lu, Shigang] Gen Res Inst Nonferrous Met, 2 Xinjiekou Wai St, Beijing 100088, Peoples R China.
[Wang, Zhong; Yin, Yanping; Wang, Zhenyao; Gao, Min; Zhuang, Weidong; Lu, Shigang] China Automot Battery Res Inst Co Ltd, Beijing 101407, Peoples R China.
[Ren, Yang] Argonne Natl Lab, Xray Sci Div, Adv Photon Sources, 9700 South Cass Ave, Argonne, IL 60439 USA.
[Ma, Tianyuan; Amine, Khalil; Chen, Zonghai] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Fan, Ailing] Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China.
RP Lu, SG (reprint author), Gen Res Inst Nonferrous Met, 2 Xinjiekou Wai St, Beijing 100088, Peoples R China.; Chen, ZH (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
EM Iusg8867@163.com; Zonghai.Chen@anl.gov
FU National Nature Science Foundation of China [51302017]; Science and
Technology Commission of Beijing [Z121100006712002]; U.S. Department of
Energy (DOE), Vehicle Technologies Office; US Department of Energy
[DE-AC02-06CH11357]; U. S. Department of Energy, Office of Science,
Office of Basic Energy Sciences [DE-AC02-06CH11357]
FX Research was funded by the National Nature Science Foundation of China
(No. 51302017), and the Science and Technology Commission of Beijing
(No. Z121100006712002), U.S. Department of Energy (DOE), Vehicle
Technologies Office. Support from Tien Duong and Peter Faguy of the U.S.
DOE's Office of Vehicle Technologies Program, are gratefully
acknowledged. Argonne National Laboratory is operated for the US
Department of Energy by U Chicago Argonne, LLC, under contract
DE-AC02-06CH11357. Use of the Advanced Photon Source (APS) that was
supported by the U. S. Department of Energy, Office of Science, Office
of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357.
NR 49
TC 0
Z9 0
U1 13
U2 13
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 2211-2855
EI 2211-3282
J9 NANO ENERGY
JI Nano Energy
PD JAN
PY 2017
VL 31
BP 247
EP 257
DI 10.1016/j.nanoen.2016.10.014
PG 11
WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EJ8BE
UT WOS:000393446500028
ER
PT J
AU Zhang, HG
Osgood, H
Xie, XH
Shao, YY
Wu, G
AF Zhang, Hanguang
Osgood, Hannah
Xie, Xiaohong
Shao, Yuyan
Wu, Gang
TI Engineering nanostructures of PGM-free oxygen-reduction catalysts using
metal-organic frameworks
SO NANO ENERGY
LA English
DT Review
DE Electrocatalysts; Oxygen reduction; Platinum group-metal (PGM)-free;
Metal-organic frameworks; Nanostructures
ID NITROGEN-DOPED CARBON; MEMBRANE FUEL-CELLS; ZEOLITIC IMIDAZOLATE
FRAMEWORKS; HIGH-SURFACE-AREA; ZINC-AIR BATTERIES; FE-BASED CATALYSTS;
ONE-STEP SYNTHESIS; POROUS CARBON; HIGHLY EFFICIENT; CATHODE CATALYSTS
AB Oxygen reduction reaction (ORR) is one of the essential electrochemical reactions for the energy conversion and storage devices such as fuel cells and metal-air batteries. However, a large amount of Pt is required for catalyzing the kinetically sluggish ORR at the air cathode, therefore greatly limiting their large scale implementation. Development of high-performance platinum group-metal (PGM)-free ORR catalysts has been a long-term goal for these clean energy technologies. However, current PGM-free catalysts are still significantly suffering from insufficient activity and limited durability especially in more challenging acidic media, such as proton exchange membrane (PEM) fuel cells. Recently, metal-organic frameworks (MOFs), constructed from bridging metal ions and ligands, have emerged as a new type of attractive precursors for the synthesis of PGM-free catalysts, which has led to encouraging performance improvement. Compared to other catalyst precursors, MOF5 have well-defined crystal structure with readily tunable chemistry and contain all required elements (e.g., carbon, nitrogen, and metal). Here, we provide an account of recent innovative PGM-free catalyst design and synthesis derived from the unique MOF precursors with special emphasis on engineering nanostructure and morphology of catalysts. We aim to provide new insights into the design and synthesis of advanced PGM-free catalysts with increased density of active sites and controlled bonding in 3D frame network. In addition, we also discuss the possibility to use the well-defined MOF precursors for building up model systems to elucidate the structure-property correlations and the nature of active sites.
C1 [Zhang, Hanguang; Osgood, Hannah; Wu, Gang] Univ Buffalo State Univ New York, Dept Chem & Biol Engn, Buffalo, NY 14260 USA.
[Xie, Xiaohong; Shao, Yuyan] Pacific Northwest Natl Lab, Richland, WA 99352 USA.
RP Wu, G (reprint author), Univ Buffalo State Univ New York, Dept Chem & Biol Engn, Buffalo, NY 14260 USA.; Shao, YY (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA.
EM yuyan.shao@pnnl.gov; gangwu@buffalo.edu
RI Shao, Yuyan/A-9911-2008; Wu, Gang/E-8536-2010
OI Shao, Yuyan/0000-0001-5735-2670; Wu, Gang/0000-0003-4956-5208
FU University at Buffalo (SUNY); NSF [CBET-1604392]; U.S. Department of
Energy, Fuel Cell Technologies Office (FCTO) Incubator Program
[DE-EE000696]; DOE Fuel Cell Technologies Office; Department of Energy
[DE-AC05-76RLO1830]
FX G. Wu acknowledges the Start-up funding from the University at Buffalo
(SUNY) along with NSF (CBET-1604392) and U.S. Department of Energy, Fuel
Cell Technologies Office (FCTO) Incubator Program (DE-EE000696). The
work at Pacific Northwest National Laboratory (PNNL) was supported by
DOE Fuel Cell Technologies Office. PNNL is operated by Battelle for the
Department of Energy under Contract DEAC05-76RLO1830.
NR 137
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Z9 1
U1 63
U2 63
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 2211-2855
EI 2211-3282
J9 NANO ENERGY
JI Nano Energy
PD JAN
PY 2017
VL 31
BP 331
EP 350
DI 10.1016/j.nanoen.2016.11.033
PG 20
WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EJ8BE
UT WOS:000393446500038
ER
PT J
AU Wang, KL
Xu, M
Gu, Y
Gu, ZR
Liu, J
Fan, QH
AF Wang, Keliang
Xu, Ming
Gu, Yan
Gu, Zhengrong
Liu, Jun
Fan, Qi Hua
TI Low-temperature plasma exfoliated n-doped graphene for symmetrical
electrode supercapacitors
SO NANO ENERGY
LA English
DT Article
DE Plasma; Graphene; Exfoliation; N-doped; Supercapacitor
ID HIGH-PERFORMANCE SUPERCAPACITORS; DOUBLE-LAYER CAPACITORS; ASYMMETRIC
SUPERCAPACITOR; CARBON ELECTRODES; ENERGY DENSITY; POROUS CARBON;
COMPOSITE; OXIDE; NANOSTRUCTURES; POLYANILINE
AB Radio frequency (RF) dielectric barrier discharge plasma was used to exfoliate graphite oxide (GO) into graphene. The GO was synthesized from a modified Hummers method. The exfoliation occurred swiftly once the RF power and gas pressure reached a level that enabled sufficient energy transfer from the plasma to the GO. Xray diffraction (XRD) and transmission electron microscopy (TEM) confirmed that graphene or carbon nanosheets were successfully prepared. The plasma exfoliation mechanism was revealed based on the microstructure characterization and optical emission spectroscopy, which indicated that oxygen was released at the moment of exfoliation. Inspired by the success of GO exfoliation, N-doping was realized by treating polypyrrole-modified GO with plasmas. The N concentration in the resulted graphene depended strongly on the plasma gas. Of the gases studied, CH4 treated polypyrrole-modified GO (GO-PPY-CH4) contained considerable concentration of N that was beneficial to electrical double layer capacitors (EDLCs). Supercapacitors made of the N-doped graphene exhibited promising capacitive characteristics. Electrochemical measurements showed that the GO-PPY-CH4 presented an initial specific capacitance of similar to 312 F g(-1) under 0.1 A g(-1) charge/discharge current and similar to 100% retention after 1000 consecutive cycles under currents ranging from 0.1 to 10.0 A g(-1) in 6 mol L-1 KOH electrolyte. This study demonstrated that the plasma exfoliation was an efficient approach to fabricating graphene and N-doped graphene that had promising potential to be high-performance electrode materials for EDLCs.
C1 [Wang, Keliang; Gu, Zhengrong] South Dakota State Univ, Agr & Biosyst Engn Dept, Brookings, SD 57007 USA.
[Liu, Jun] Pacific Northwest Natl Lab, Energy Proc & Mat Div, Richland, WA 99352 USA.
[Fan, Qi Hua] Michigan State Univ East Lansing, Elect Engn & Comp Engn, Chem Engn & Mat Sci Dept, E Lansing, MI 48824 USA.
[Xu, Ming] PetroChina Lanzhou Petrochem Co, Lanzhou 730060, Gansu, Peoples R China.
[Gu, Yan] Inst Chem Ind Forest Prod, Nanjing 21000, Jiangsu, Peoples R China.
RP Gu, ZR (reprint author), South Dakota State Univ, Agr & Biosyst Engn Dept, Brookings, SD 57007 USA.; Liu, J (reprint author), Pacific Northwest Natl Lab, Energy Proc & Mat Div, Richland, WA 99352 USA.; Fan, QH (reprint author), Michigan State Univ East Lansing, Elect Engn & Comp Engn, Chem Engn & Mat Sci Dept, E Lansing, MI 48824 USA.
EM zhengrong.gu@sdstate.edu; jun.liu@pnnl.gov; qfan@egr.msu.edu
FU China Scholarship Council; NSF MRI award [1427888]; NSF EPSCoR Track II
Dakota BioCon Center [1330840]; NSF award [1462389, 1536209]; North
Central Regional Sun Grant Center at South Dakota State University
through US Department of Energy Bioenergy Technologies Office
[DE-FG36-08GO88073]
FX This research was funded by: 1) China Scholarship Council; 2) NSF MRI
award #1427888; 3) NSF EPSCoR Track II Dakota BioCon Center #1330840; 4)
NSF award #1462389; 5) NSF award #1536209; 6) North Central Regional Sun
Grant Center at South Dakota State University through a grant provided
by the US Department of Energy Bioenergy Technologies Office under award
number DE-FG36-08GO88073.
NR 53
TC 0
Z9 0
U1 25
U2 25
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 2211-2855
EI 2211-3282
J9 NANO ENERGY
JI Nano Energy
PD JAN
PY 2017
VL 31
BP 486
EP 494
DI 10.1016/j.nanoen.2016.11.007
PG 9
WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EJ8BE
UT WOS:000393446500056
ER
PT J
AU Kumar, P
Kaushik, A
Lloyd, EP
Li, SG
Mattoo, R
Ammerman, NC
Bell, DT
Perryman, AL
Zandi, TA
Ekins, S
Ginell, SL
Townsend, CA
Freundlich, JS
Lamichhane, G
AF Kumar, Pankaj
Kaushik, Amit
Lloyd, Evan P.
Li, Shao-Gang
Mattoo, Rohini
Ammerman, Nicole C.
Bell, Drew T.
Perryman, Alexander L.
Zandi, Trevor A.
Ekins, Sean
Ginell, Stephan L.
Townsend, Craig A.
Freundlich, Joel S.
Lamichhane, Gyanu
TI Non-classical transpeptidases yield insight into new antibacterials
SO NATURE CHEMICAL BIOLOGY
LA English
DT Article
ID MYCOBACTERIUM-TUBERCULOSIS; MEROPENEM-CLAVULANATE; L,D-TRANSPEPTIDASE 2;
BETA-LACTAMASE; CROSS-LINKING; CELL-WALL; CARBAPENEMS; PEPTIDOGLYCAN;
INACTIVATION; RESISTANCE
AB Bacterial survival requires an intact peptidoglycan layer, a three-dimensional exoskeleton that encapsulates the cytoplasmic membrane. Historically, the final steps of peptidoglycan synthesis are known to be carried out by D,D-transpeptidases, enzymes that are inhibited by the beta-lactams, which constitute >50% of all antibacterials in clinical use. Here, we show that the carbapenem subclass of beta-lactams are distinctly effective not only because they inhibit D,D-transpeptidases and are poor substrates for beta-lactamases, but primarily because they also inhibit non-classical transpeptidases, namely the L,D-transpeptidases, which generate the majority of linkages in the peptidoglycan of mycobacteria. We have characterized the molecular mechanisms responsible for inhibition of L,D-transpeptidases of Mycobacterium tuberculosis and a range of bacteria including ESKAPE pathogens, and used this information to design, synthesize and test simplified carbapenems with potent antibacterial activity.
C1 [Kumar, Pankaj; Kaushik, Amit; Mattoo, Rohini; Ammerman, Nicole C.; Bell, Drew T.; Lamichhane, Gyanu] Johns Hopkins Univ, Dept Med, Baltimore, MD 21218 USA.
[Lloyd, Evan P.; Townsend, Craig A.] Johns Hopkins Univ, Dept Chem, Charles & 34Th St, Baltimore, MD 21218 USA.
[Li, Shao-Gang; Perryman, Alexander L.; Freundlich, Joel S.] Rutgers State Univ, Sch Med, Dept Physiol & Pharmacol, New Brunswick, NJ USA.
[Li, Shao-Gang; Perryman, Alexander L.; Freundlich, Joel S.] Rutgers State Univ, Sch Med, Dept Med, New Brunswick, NJ USA.
[Zandi, Trevor A.] Johns Hopkins Univ, Dept Biophys, Baltimore, MD USA.
[Ekins, Sean] Collaborat Chem, Fuquay Varina, NC USA.
[Ginell, Stephan L.] Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Lamichhane, G (reprint author), Johns Hopkins Univ, Dept Med, Baltimore, MD 21218 USA.
EM lamichhane@jhu.edu
FU NIH [R21AI111739, DP2OD008459]; US Department of Energy, Office of
Biological and Environmental Research [DE-AC02-06CH11357]
FX Assistance of V. Chauhan for protein expression is appreciated. We thank
L. Basta for critical discussions. R aeruginosa PA14 was a kind gift
from S. Lory, Harvard University. Discovery Studio was kindly provided
to S.E. and J.S.F. by Biovia. This study was supported by NIH awards
R21AI111739 and DP2OD008459 to G.L. Structural results shown in this
report are derived in part from work performed at Argonne National
Laboratory, Structural Biology Center at the Advanced Photon Source.
Argonne is operated by UChicago Argonne, LLC, for the US Department of
Energy, Office of Biological and Environmental Research under contract
DE-AC02-06CH11357.
NR 34
TC 2
Z9 2
U1 3
U2 3
PU NATURE PUBLISHING GROUP
PI NEW YORK
PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA
SN 1552-4450
EI 1552-4469
J9 NAT CHEM BIOL
JI Nat. Chem. Biol.
PD JAN
PY 2017
VL 13
IS 1
BP 54
EP 61
DI 10.1038/NCHEMBIO.2237
PG 8
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA EJ5OI
UT WOS:000393267200013
PM 27820797
ER
PT J
AU Schoneberg, J
Lee, IH
Iwasa, JH
Hurley, JH
AF Schoneberg, Johannes
Lee, Il-Hyung
Iwasa, Janet H.
Hurley, James H.
TI Reverse-topology membrane scission by the ESCRT proteins
SO NATURE REVIEWS MOLECULAR CELL BIOLOGY
LA English
DT Review
ID MULTIVESICULAR BODY BIOGENESIS; ENDOSOME-ASSOCIATED COMPLEX; AAA ATPASE
VPS4; STRUCTURAL BASIS; SORTING COMPLEX; CYTOKINETIC ABSCISSION; III
CHMP3; TRAFFICKING COMPLEX; HELICAL STRUCTURES; PLASMA-MEMBRANE
AB The narrow membrane necks formed during viral, exosomat and intra-endosomal budding from membranes, as well as during cytokinesis and related processes, have interiors that are contiguous with the cytosol. Severing these necks involves action from the opposite face of the membrane as occurs during the well-characterized formation of coated vesicles. This 'reverse' (or Inverse')-topology membrane scission is carried out by the endosomal sorting complex required for transport (ESCRT) proteins, which form filaments, flat spirals, tubes and conical funnels that are thought to direct membrane remodelling and scission. Their assembly, and their disassembly by the ATPase vacuolar protein sorting-associated 4 (VPS4) have been intensively studied, but the mechanism of scission has been elusive. New insights from cryo-electron microscopy and various types of spectroscopy may finally be close to rectifying this situation.
C1 [Schoneberg, Johannes; Lee, Il-Hyung; Hurley, James H.] Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA.
[Schoneberg, Johannes; Lee, Il-Hyung; Hurley, James H.] Univ Calif Berkeley, Calif Inst Quantitat Biosci, Berkeley, CA 94720 USA.
[Iwasa, Janet H.] Univ Utah, Salt Lake City, UT 84112 USA.
[Hurley, James H.] Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, Berkeley, CA 94720 USA.
RP Hurley, JH (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA.; Hurley, JH (reprint author), Univ Calif Berkeley, Calif Inst Quantitat Biosci, Berkeley, CA 94720 USA.; Hurley, JH (reprint author), Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, Berkeley, CA 94720 USA.
EM jimhurley@berkeley.edu
FU US National Institutes of Health [AI112442]; Center for the Structural
Biology of Cellular Host Elements in Egress, Trafficking, and Assembly
of HIV (CHEETAH), US National Institutes of Health [GM082545]
FX Research on endosomal sorting complexes required for transport (ESCRTs)
in the Hurley laboratory is supported by the US National Institutes of
Health, grant AI112442. J.H.I. is supported by the Center for the
Structural Biology of Cellular Host Elements in Egress, Trafficking, and
Assembly of HIV (CHEETAH), US National Institutes of Health, grant
GM082545.
NR 110
TC 1
Z9 1
U1 0
U2 0
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1471-0072
EI 1471-0080
J9 NAT REV MOL CELL BIO
JI Nat. Rev. Mol. Cell Biol.
PD JAN
PY 2017
VL 18
IS 1
BP 5
EP 17
DI 10.1038/nrm.2016.121
PG 13
WC Cell Biology
SC Cell Biology
GA EJ5OL
UT WOS:000393267500006
PM 27703243
ER
PT J
AU Sin, M
Capote, R
Herman, MW
Trkov, A
AF Sin, M.
Capote, R.
Herman, M. W.
Trkov, A.
TI Modelling Neutron-induced Reactions on U232-237 from 10 keV up to 30 MeV
SO NUCLEAR DATA SHEETS
LA English
DT Article
ID FISSION CROSS-SECTIONS; CHANNEL OPTICAL-MODEL; OR-EQUAL-TO; ACTINIDE
NUCLEI; ROTATIONAL BANDS; URANIUM ISOTOPES; DATA LIBRARY; 3RD MINIMUM;
U-235; SCATTERING
AB Comprehensive calculations of cross sections for neutron-induced reactions on U232-237 targets are performed in the 10 keV-30 MeV incident energy range with the code EMPIRE-3.2 Malta. The advanced modelling and consistent calculation scheme are aimed at improving our knowledge of the neutron scattering and emission cross sections, and to assess the consistency of available evaluated libraries for light uranium isotopes. The reaction model considers a dispersive optical potential (RIPL 2408) that couples from five (even targets) to nine (odd targets) levels of the ground state rotational band, and a triple-humped fission barrier with absorption in the wells described within the optical model for fission. A modified Lorentzian model (MLO) of the radiative strength function and Enhanced Generalized Superfluid Model nuclear level densities are used in Hauser-Feschbach calculations of the compound-nuclear decay that include width fluctuation corrections. The starting values for the model parameters are retrieved from RIPL. Excellent agreement with available experimental data for neutron emission and fission is achieved, giving confidence that the quantities for which there is no experimental information are also accurately predicted. Deficiencies in existing evaluated libraries are highlighted.
C1 [Sin, M.] Univ Bucharest, Fac Phys, Bucharest, Romania.
[Capote, R.; Trkov, A.] IAEA, NAPC Nucl Data Sect, A-1400 Vienna, Austria.
[Herman, M. W.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
RP Capote, R (reprint author), IAEA, NAPC Nucl Data Sect, A-1400 Vienna, Austria.
EM r.capotenoy@iaea.org
FU European Commission [FP7-605203]
FX The work of M.S. was partially supported by the European Commission
under the contracts CHANDA (EURATOM No. FP7-605203). One of us (RC)
would like to thanks E. Sh. Soukhovitskii, J. M. Quesada, and S. Chiba
for their fruitful collaboration on development of optical model
potentials that are the backbone of our cross-section calculations.
NR 190
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U1 2
U2 2
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0090-3752
EI 1095-9904
J9 NUCL DATA SHEETS
JI Nucl. Data Sheets
PD JAN
PY 2017
VL 139
SI SI
BP 138
EP 170
DI 10.1016/j.nds.2017.01.003
PG 33
WC Physics, Nuclear
SC Physics
GA EJ5JS
UT WOS:000393254900004
ER
PT J
AU Pierson, BD
Greenwood, LR
Flaska, M
Pozzi, SA
AF Pierson, B. D.
Greenwood, L. R.
Flaska, M.
Pozzi, S. A.
TI Fission Product Yields from Th-232, U-238, and U-235 Using 14 MeV
Neutrons
SO NUCLEAR DATA SHEETS
LA English
DT Article
ID ACTIVATION-ANALYSIS; NUCLEAR-DATA; 14.8-MEV NEUTRONS; DECAY; SYSTEM;
RADIONUCLIDES; DEFORMATION; COINCIDENCE; LOHENGRIN; FACILITY
AB Neutron-induced fission yield studies using deuterium-tritium fusion-produced 14 MeV neutrons have not yet directly measured fission yields from fission products with half-lives on the order of seconds (far from the line of nuclear stability). Fundamental data of this nature are important for improving and validating the current models of the nuclear fission process. Cyclic neutron activation analysis (CNAA) was performed on three actinide targets thorium-oxide, depleted uranium metal, and highly enriched uranium metal at the University of Michigan's Neutron Science Laboratory (UM-NSL) using a pneumatic system and Thermo-Scientific D711 accelerator-based fusion neutron generator. This was done to measure the fission yields of short-lived fission products and to examine the differences between the delayed fission product signatures of the three actinides. The measured data were compared against previously published results for Kr-89, -90, and -92 and Xe-138, -139, and -140. The average percent deviation of the measured values from the Evaluated Nuclear Data Files VII.1 (ENDF/B-VII.1) for thorium, depleted-uranium, and highly-enriched uranium were -10.2%, 4.5%, and -12.9%, respectively. In addition to the measurements of the six known fission products, 23 new fission yield measurements from As-84 to La-146 are presented.
C1 [Pierson, B. D.; Pozzi, S. A.] Univ Michigan, Dept Nucl Engn & Radiol Sci, 2355 Bonisteel Blvd, Ann Arbor, MI 48109 USA.
[Pierson, B. D.; Greenwood, L. R.] Pacific Northwest Natl Lab, POB 999, Richland, WA 99352 USA.
[Flaska, M.] Penn State Univ, Dept Mech & Nucl Engn, 227 Reber Bldg, University Pk, PA 16802 USA.
RP Pierson, BD (reprint author), Univ Michigan, Dept Nucl Engn & Radiol Sci, 2355 Bonisteel Blvd, Ann Arbor, MI 48109 USA.; Pierson, BD (reprint author), Pacific Northwest Natl Lab, POB 999, Richland, WA 99352 USA.
EM bpnuke@umich.edu
FU U.S. Department of Homeland Security [2012-DN-130-NF0001-02]
FX The authors would like to acknowledge Amanda Prinke and Sean Stave from
Pacific Northwest National Laboratory for their assistance in revising
the draft and analyses. This material is based upon work supported by
the U.S. Department of Homeland Security under the Grant Award Number,
2012-DN-130-NF0001-02. This support does not constitute an express or
implied endorsement on the part of the Government.
NR 73
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U1 2
U2 2
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0090-3752
EI 1095-9904
J9 NUCL DATA SHEETS
JI Nucl. Data Sheets
PD JAN
PY 2017
VL 139
SI SI
BP 171
EP 189
DI 10.1016/j.nds.2017.01.004
PG 19
WC Physics, Nuclear
SC Physics
GA EJ5JS
UT WOS:000393254900005
ER
PT J
AU Barnett, J
Watson, JP
Woodruff, DL
AF Barnett, Jason
Watson, Jean-Paul
Woodruff, David L.
TI BBPH: Using progressive hedging within branch and bound to solve
multi-stage stochastic mixed integer programs
SO OPERATIONS RESEARCH LETTERS
LA English
DT Article
DE Stochastic programming; Progressive hedging; Branch and bound
AB Progressive hedging, though an effective heuristic for solving stochastic mixed integer programs (SMIPs), is not guaranteed to converge in this case. Here, we describe BBPH, a branch and bound algorithm that uses PH at each node in the search tree such that, given sufficient time, it will always converge to a globally optimal solution. In addition to providing a theoretically convergent "wrapper" for PH applied to SMIPs, computational results demonstrate that for some difficult problem instances branch and bound can find improved solutions after exploring only a few nodes. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Barnett, Jason] Univ Calif Davis, Dept Appl Math, Davis, CA 95616 USA.
[Watson, Jean-Paul] Sandia Natl Labs, Discrete Math & Optimizat Dept, Albuquerque, NM 87185 USA.
[Woodruff, David L.] Univ Calif Davis, Grad Sch Management, Davis, CA 95616 USA.
RP Woodruff, DL (reprint author), Univ Calif Davis, Grad Sch Management, Davis, CA 95616 USA.
EM jpbarnett@math.ucdavis.edu; jwatson@sandia.gov; dlwoodruff@ucdavis.edu
FU US Department of Energy, Office of Science, Office of Advanced
Scientific Computing Research, Applied Mathematics program [KJ0401000];
United States Department of Energy's National Nuclear Security
Administration [DE-AC04-94-AL85000]
FX The research was supported in part by the US Department of Energy,
Office of Science, Office of Advanced Scientific Computing Research,
Applied Mathematics program under contract number KJ0401000 through the
Project "Multifaceted Mathematics for Complex Energy Systems". Sandia is
a multi-program laboratory operated by Sandia Corporation, a Lockheed
Martin Company, for the United States Department of Energy's National
Nuclear Security Administration under Contract DE-AC04-94-AL85000.
NR 15
TC 0
Z9 0
U1 0
U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0167-6377
EI 1872-7468
J9 OPER RES LETT
JI Oper. Res. Lett.
PD JAN
PY 2017
VL 45
IS 1
BP 34
EP 39
DI 10.1016/j.orl.2016.11.006
PG 6
WC Operations Research & Management Science
SC Operations Research & Management Science
GA EJ9GK
UT WOS:000393534400007
ER
PT J
AU Cybinska, J
Guzik, M
Lorbeer, C
Zych, E
Guyot, Y
Boulon, G
Mudring, AV
AF Cybinska, J.
Guzik, M.
Lorbeer, C.
Zych, E.
Guyot, Y.
Boulon, G.
Mudring, A. -V.
TI Design of LaPO4:Nd3+ materials by using ionic liquids
SO OPTICAL MATERIALS
LA English
DT Article
DE Orthophosphates; Ionic liquids assisted synthesis; Neodymium doping; NIR
emitting phosphors
ID ENERGY-TRANSFER PROCESSES; DOUBLE PHOSPHATES; LUMINESCENCE PROPERTIES;
CRYSTAL; SPECTROSCOPY; LASER; NANOCRYSTALS; DEPENDENCE; ROUTE; PROBE
AB Monoclinic monazite-type Nd3+-doped lanthanum orthophosphate (LaPO4:Nd3+) nanoparticles were prepared by microwave treatment of simple lanthanide precursors such as Nd(OAc)(3)center dot xH(2)O, OAc = acetate) with task-specific dihydrogen phosphate ionic liquids (ILs) 1-butyl-1-methylpyrrolidinium dihydrogenphosphate- BmPyrH(2)PO(4) (IL1) and 2-hydroxyethyl-N,N,N-trimethylammonium, [choline][H2PO4) (112) as the reaction medium, reactant and in-situ nanoparticle stabilizer.
This synthesis route possesses many advantages as it is a fast and facile preparation method of the desired phosphate nanomaterials without the necessity for post-reaction heat treatment to obtain the anhydrous high temperature monazite phosphate phase.
The nano-sized phosphors Nd3+:LaPO4 were carefully analyzed by the powder X-ray diffraction, electron microscopy and spectroscopic techniques taking advantage of the Nd3+ spectroscopic probe to analyze in detail the structural properties. Applied high resolution low temperature absorption and emission techniques allowed to complete the structural information unavailable from the XRD powder patterns.
A clear influence of the used task-specific dihydrogen phosphate ILs on the structure, morphology, luminescence intensity and lifetimes of the obtained Nd3+:LaPO4 was found. It is worth noting that the Nd3+ luminescence in LaPO4 has never been reported up to now. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Cybinska, J.; Guzik, M.; Guyot, Y.] Univ Wroclaw, Fac Chem, 14 F Joliot Curie, PL-50383 Wroclaw, Poland.
[Cybinska, J.] EIT, Wroclaw Res Ctr, Stablowicka 147, PL-54066 Wroclaw, Poland.
[Lorbeer, C.] Ruhr Univ Bochum, Bochum, Germany.
[Guyot, Y.; Boulon, G.] Univ Claude Bernard Lyon1, CNRS, Inst Lumiere Mat, F-69622 Villeurbanne, France.
[Mudring, A. -V.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.
[Mudring, A. -V.] Crit Mat Inst, Ames Lab, Ames, IA 50011 USA.
RP Cybinska, J (reprint author), Univ Wroclaw, Fac Chem, 14 F Joliot Curie, PL-50383 Wroclaw, Poland.
EM joanna.cybinska@chem.uni.wroc.pl
FU European Regional Development Fund within the Innovative Economy Program
[POIG.01.01.02-02-006/09]; Critical Materials Institute, an Energy
Innovation Hub - U.S. Department of Energy, Office of Energy Efficiency
and Renewable Energy, Advanced Manufacturing Office
FX Joanna Cybinska and Malgorzata Guzik would like to express their
gratitude to professor Georges Boulon for His support and years of very
fruitful collaboration and friendship. We (J.C., M.G., E.Z.) wish to
thank for support by POIG.01.01.02-02-006/09 project co-funded by
European Regional Development Fund within the Innovative Economy
Program. This financial supports is gratefully acknowledged. The authors
express the gratitude to Dr Lukasz Marciniak from Institute of Low
Temperature and Structure Research of Polish Academy of Science in
Wroclaw for some help in measurements of luminescence. This work is
supported in part (A.-V.M.) by the Critical Materials Institute, an
Energy Innovation Hub funded by the U.S. Department of Energy, Office of
Energy Efficiency and Renewable Energy, Advanced Manufacturing Office.
NR 34
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Z9 0
U1 5
U2 5
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0925-3467
EI 1873-1252
J9 OPT MATER
JI Opt. Mater.
PD JAN
PY 2017
VL 63
SI SI
BP 76
EP 87
DI 10.1016/j.optmat.2016.09.025
PG 12
WC Materials Science, Multidisciplinary; Optics
SC Materials Science; Optics
GA EJ1ZS
UT WOS:000393010000012
ER
PT J
AU Pinzon, JI
Nunez-Cornu, FJ
Rowe, CA
AF Pinzon, Juan I.
Nunez-Cornu, Francisco J.
Rowe, Charlotte A.
TI Magma intrusion near Volcan Tancitaro: Evidence from seismic analysis
SO PHYSICS OF THE EARTH AND PLANETARY INTERIORS
LA English
DT Article
DE Volcanic seismicity; Magmatic intrusion; Michoacan monogenetic volcanic
field; Seismic swarm
ID EARTHQUAKE SWARMS; CENTRAL MEXICO; MICHOACAN; TECTONICS; FIELD; RIDGE
AB Between May and June 2006, an earthquake swarm occurred near Volcan Tancitaro in Mexico, which was recorded by a temporary seismic deployment known as the MARS network. We located 1000 events from this seismic swarm. Previous earthquake swarms in the area were reported in the years 1997, 1999 and 2000. We relocate and analyze the evolution and properties of the 2006 earthquake swarm, employing a waveform cross-correlation-based phase repicking technique. Hypocenters from 911 events were located and divided into eighteen families having a correlation coefficient at or above 0.75. 90% of the earthquakes provide at least sixteen phase picks. We used the single-event location code Hypo71 and the P-wave velocity model used by the Jalisco Seismic and Accelerometer Network to improve hypocenters based on the correlation-adjusted phase arrival times. We relocated 121 earthquakes, which show clearly two clusters, between 9-10 km and 3-4 km depth respectively. The average location error estimates are <1 km epicentrally, and <2 km in depth, for the largest event in each cluster. Depths of seismicity migrate upward from 16 to 3.5 km and exhibit a NE-SW trend. The swarm first migrated toward Paricutin Volcano but by mid June began propagating back toward Volcan Tancitaro. In addition to its persistence, noteworthy aspects of this swarm include a quasi-exponential increase in the rate of activity within the first 15 days; a b-value of 1.47; a jug-shaped hypocenter distribution; a shoaling rate of similar to 5 km/month within the deeper cluster, and a composite focal mechanism solution indicating largely reverse faulting. These features of the swarm suggest a magmatic source elevating the crustal strain beneath Volcan Tancitaro. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Pinzon, Juan I.; Nunez-Cornu, Francisco J.] Univ Guadalajara, Ctr Sismol & Volcanol Occidente, Puerto Vallarta, Mexico.
[Rowe, Charlotte A.] Los Alamos Natl Lab, Los Alamos, NM USA.
RP Pinzon, JI (reprint author), Univ Guadalajara, Ctr Sismol & Volcanol Occidente, Puerto Vallarta, Mexico.
EM juanpvmelak@gmail.com
FU Red Sismologica Telemetrica de Jalisco - RESAJ, CONACyT-FOMIXJal [2008 -
09 - 96538]; CONACyT-FOMIXJal [2012 - 08 189963, 2012 - 08 - 189963];
MCI Espafia [CGL2011 - 29474 - CO2 - 01]
FX This study was supported by Red Sismologica Telemetrica de Jalisco -
RESAJ, CONACyT-FOMIXJal (2008 - 09 - 96538). "Maestria en Ciencias en
Geofisica", CONACyT-FOMIXJal (2012 - 08 189963). "Caracterizacion del
peligro sismico y tsunamigenico asociado a la estructura cortical del
contacto Placa de Rivera-Bloque de Jalisco (TSUJAL)", CONACyT-FOMIXJal
(2012 - 08 - 189963), MCI Espafia (CGL2011 - 29474 - CO2 - 01). The
facilities of the Incorporated Research Institutes in Seismology (IRIS)
Data Services, and specifically the IRIS Data Management Center, were
used for access to waveforms, related metadata, and/or derived products
used in this study. This is Los Alamos National Laboratory Publication
LA-UR-15-27784.
NR 52
TC 0
Z9 0
U1 1
U2 1
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0031-9201
EI 1872-7395
J9 PHYS EARTH PLANET IN
JI Phys. Earth Planet. Inter.
PD JAN
PY 2017
VL 262
BP 66
EP 79
DI 10.1016/j.pepi.2016.11.004
PG 14
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA EJ5HM
UT WOS:000393248400006
ER
PT J
AU Pitchford, LC
Alves, LL
Bartschat, K
Biagi, SF
Bordage, MC
Bray, I
Brion, CE
Brunger, MJ
Campbell, L
Chachereau, A
Chaudhury, B
Christophorou, LG
Carbone, E
Dyatko, NA
Franck, CM
Fursa, DV
Gangwar, RK
Guerra, V
Haefliger, P
Hagelaar, GJM
Hoesl, A
Itikawa, Y
Kochetov, IV
McEachran, RP
Morgan, WL
Napartovich, AP
Puech, V
Rabie, M
Sharma, L
Srivastava, R
Stauffer, AD
Tennyson, J
de Urquijo, J
van Dijk, J
Viehland, LA
Zammit, MC
Zatsarinny, O
Pancheshnyi, S
AF Pitchford, Leanne C.
Alves, Luis L.
Bartschat, Klaus
Biagi, Stephen F.
Bordage, Marie-Claude
Bray, Igor
Brion, Chris E.
Brunger, Michael J.
Campbell, Laurence
Chachereau, Alise
Chaudhury, Bhaskar
Christophorou, Loucas G.
Carbone, Emile
Dyatko, Nikolay A.
Franck, Christian M.
Fursa, Dmitry V.
Gangwar, Reetesh K.
Guerra, Vasco
Haefliger, Pascal
Hagelaar, Gerjan J. M.
Hoesl, Andreas
Itikawa, Yukikazu
Kochetov, Igor V.
McEachran, Robert P.
Morgan, W. Lowell
Napartovich, Anatoly P.
Puech, Vincent
Rabie, Mohamed
Sharma, Lalita
Srivastava, Rajesh
Stauffer, Allan D.
Tennyson, Jonathan
de Urquijo, Jaime
van Dijk, Jan
Viehland, Larry A.
Zammit, Mark C.
Zatsarinny, Oleg
Pancheshnyi, Sergey
TI LXCat: an Open-Access, Web-Based Platform for Data Needed for Modeling
Low Temperature Plasmas
SO PLASMA PROCESSES AND POLYMERS
LA English
DT Review
DE cold plasma; modeling; on-line databases; scattering cross sections;
transport coefficients
ID ELECTRON-IMPACT EXCITATION; INTEGRAL CROSS-SECTIONS;
LOW-ENERGY-ELECTRON; HEAVY NOBLE-GASES; TRANSPORT-COEFFICIENTS;
NITRIC-OXIDE; VIBRATIONAL-EXCITATION; BOLTZMANN-EQUATION; AURORAL
CONDITIONS; SWARM PARAMETERS
AB LXCat is an open-access platform () for curating data needed for modeling the electron and ion components of technological plasmas. The data types presently supported on LXCat are scattering cross sections and swarm/transport parameters, ion-neutral interaction potentials, and optical oscillator strengths. Twenty-four databases contributed by different groups around the world can be accessed on LXCat. New contributors are welcome; the database contributors retain ownership and are responsible for the contents and maintenance of the individual databases. This article summarizes the present status of the project.
C1 [Pitchford, Leanne C.; Hagelaar, Gerjan J. M.] CNRS, Lab Plasma & Convers Energie LAPLACE, 118 Route Narbonne, F-31062 Toulouse, France.
[Pitchford, Leanne C.; Hagelaar, Gerjan J. M.] Univ Toulouse, 118 Route Narbonne, F-31062 Toulouse, France.
[Alves, Luis L.; Guerra, Vasco] Univ Lisbon, Inst Super Tecn, Inst Plasmas & Fusao Nucl, Ave Rovisco Pais, P-1049001 Lisbon, Portugal.
[Bartschat, Klaus; Zatsarinny, Oleg] Drake Univ, Dept Phys & Astron, Des Moines, IA 50311 USA.
[Biagi, Stephen F.] Univ Liverpool, Oliver Lodge Lab, Liverpool L69 3BX, Merseyside, England.
[Bordage, Marie-Claude] INSERM, UMR CRCT 1037, F-31037 Toulouse, France.
[Bordage, Marie-Claude] Univ Toulouse III Paul Sabatier, UMR CRCT 1037, F-31037 Toulouse, France.
[Bray, Igor; Fursa, Dmitry V.] Curtin Univ, Curtin Inst Computat, Perth, WA 6102, Australia.
[Bray, Igor; Fursa, Dmitry V.] Curtin Univ, Dept Phys Astron & Med Radiat Sci, Perth, WA 6102, Australia.
[Brion, Chris E.] Univ British Columbia, Dept Chem, Vancouver, BC V6T 1Z1, Canada.
[Brunger, Michael J.; Campbell, Laurence] Flinders Univ S Australia, Sch Chem & Phys Sci, GPO Box 2100, Adelaide, SA 5001, Australia.
[Brunger, Michael J.] Univ Malaya, Inst Math Sci, Kuala Lumpur 50603, Malaysia.
[Chachereau, Alise; Franck, Christian M.; Haefliger, Pascal; Hoesl, Andreas; Rabie, Mohamed] Swiss Fed Inst Technol, Power Syst & High Voltage Labs, Phys Str 3, CH-8092 Zurich, Switzerland.
[Chaudhury, Bhaskar] DA IICT, Gandhinagar 382007, India.
[Christophorou, Loucas G.] Acad Athens, 28 Panepistimiou St, Athens 10679, Greece.
[Carbone, Emile] Ruhr Univ Bochum, Inst Plasma & Atom Phys, D-44780 Bochum, Germany.
[Dyatko, Nikolay A.; Kochetov, Igor V.; Napartovich, Anatoly P.] State Res Ctr Russian Federat, Troitsk Inst Innovat & Fus Res, Pushkovykh Str,Prop 12, Moscow 142190, Russia.
[Gangwar, Reetesh K.; Sharma, Lalita; Srivastava, Rajesh] Indian Inst Technol, Dept Phys, Roorkee 247667, Uttar Pradesh, India.
[Itikawa, Yukikazu] Inst Space & Astronaut Sci, Sagamihara, Kanagawa 2525210, Japan.
[McEachran, Robert P.] Australian Natl Univ, Res Sch Phys & Engn, Plasma & Positron Res Lab, Canberra, ACT 0200, Australia.
[Morgan, W. Lowell] Kinema Res & Software LLC, POB 1147, Monument, CO 80132 USA.
[Puech, Vincent] CNRS, Lab Phys Gaz & Plasmas, F-91405 Orsay, France.
[Puech, Vincent] Univ Paris 11, F-91405 Orsay, France.
[Stauffer, Allan D.] York Univ, Dept Phys & Astron, Toronto, ON M3J 1P3, Canada.
[Tennyson, Jonathan] UCL, Dept Phys & Astron, London WC1E 6BT, England.
[de Urquijo, Jaime] Univ Nacl Autonoma Mexico, Inst Ciencias Fis, Cuernavaca 62251, Morelos, Mexico.
[van Dijk, Jan] Eindhoven Univ Technol, Dept Appl Phys, POB 513, NL-5600 MB Eindhoven, Netherlands.
[Viehland, Larry A.] Chatham Univ, Dept Sci, Pittsburgh, PA 15232 USA.
[Zammit, Mark C.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Pancheshnyi, Sergey] ABB Corp Res, Segelhofstr 1, CH-5405 Baden, Switzerland.
[Gangwar, Reetesh K.] Weizmann Inst Sci, Dept Particle Phys & Astrophys, IL-7610001 Rehovot, Israel.
RP Pitchford, LC (reprint author), CNRS, Lab Plasma & Convers Energie LAPLACE, 118 Route Narbonne, F-31062 Toulouse, France.; Pitchford, LC (reprint author), Univ Toulouse, 118 Route Narbonne, F-31062 Toulouse, France.
EM leanne.pitchford@laplace.univ-tlse.fr
RI Tennyson, Jonathan/I-2222-2012
OI Tennyson, Jonathan/0000-0002-4994-5238
FU LAPLACE (CNRS); LAPLACE (University of Toulouse); Portuguese
FCT-Fundacao para a Ciencia e a Tecnologia [UID/FIS/50010/2013]; United
States National Science Foundation [PHY-1403245, PHY-1520970]; XSEDE
allocation [PHY-090031]; PHY-090031. The Natural Sciences and
Engineering Research Council of Canada; Australian Research Council; A.
von Humboldt foundation; STAE RTRA in Toulouse; IAEA Vienna; DAE-BRNS;
Government of India; ALSTOM Grid GmbH; Pfiffner AG; ABB Switzerland; UK
Science and Technology Facilities Council (STFC) [ST/F011687,
ST/I000151, ST/K004069]
FX The LXCat master server in Toulouse, France was purchased by the CNRS
Reseau des Plasmas Froids, and since 2013 the Eindhoven University of
Technology has maintained a mirror site. Excellent technical assistance
for the project was provided Sanchita Chowdhury during her stay at
LAPLACE. LCP, MCB, and GJMH would like to acknowledge LAPLACE (CNRS and
University of Toulouse) for providing some funds for travel and exchange
visits. The work of LLA and VG was partially supported by the Portuguese
FCT-Fundacao para a Ciencia e a Tecnologia under Project
UID/FIS/50010/2013. The work of OZ and KB was supported by the United
States National Science Foundation under grants PHY-1403245 and
PHY-1520970, as well as the XSEDE allocation PHY-090031. The Natural
Sciences and Engineering Research Council of Canada is acknowledged for
having supported the work of CEB and the work of ADS. MJB and LC thank
the Australian Research Council for funding. EC would like to thank the
A. von Humboldt foundation for a postdoctoral fellowship. The work of BC
was partially supported by the STAE RTRA in Toulouse. RS and LS are
thankful for support from IAEA Vienna, DAE-BRNS and the Government of
India. JdeU acknowledges PAPIIT IN111014. ETHZ is financially supported
by ALSTOM Grid GmbH, Pfiffner AG and ABB Switzerland. The work at UCL
was supported by the UK Science and Technology Facilities Council (STFC)
under grants ST/F011687, ST/I000151, and ST/K004069).
NR 123
TC 1
Z9 1
U1 4
U2 4
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 1612-8850
EI 1612-8869
J9 PLASMA PROCESS POLYM
JI Plasma Process. Polym.
PD JAN
PY 2017
VL 14
IS 1-2
AR UNSP 1600098
DI 10.1002/ppap.201600098
PG 17
WC Physics, Applied; Physics, Fluids & Plasmas; Physics, Condensed Matter;
Polymer Science
SC Physics; Polymer Science
GA EJ4KC
UT WOS:000393184600003
ER
PT J
AU Bourne, NK
Garcea, SC
Eastwood, DS
Parry, S
Rau, C
Withers, PJ
McDonald, SA
Brown, EN
AF Bourne, N. K.
Garcea, S. C.
Eastwood, D. S.
Parry, S.
Rau, C.
Withers, P. J.
McDonald, S. A.
Brown, E. N.
TI On compression and damage evolution in two thermoplastics
SO PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING
SCIENCES
LA English
DT Article
DE Taylor impact; thermoplastic; dynamic response
ID FLAT-ENDED PROJECTILES; POLYETHER ETHER KETONE; DYNAMIC YIELD-STRESS;
TAYLOR IMPACT; STRAIN-RATE; MECHANICAL-PROPERTIES; TEMPERATURE;
DEPENDENCE; RATES; PEEK
AB The well-known Taylor cylinder impact test, which follows the impact of a flat-ended cylindrical rod onto a rigid stationary anvil, is conducted over a range of impact speeds for two polymers, polytetrafluoroethylene (PTFE) and polyetheretherketone (PEEK). In previous work, experiments and a model were developed to capture the deformation behaviour of the cylinder after impact. These works showed a region in which spatial and temporal variation of both longitudinal and radial deformation provided evidence of changes in phase within the material. In this further series of experiments, this region is imaged in a range of impacted targets at the Diamond synchrotron. Further techniques were fielded to resolve compressed regions within the recovered polymer cylinders that showed a fracture zone in the impact region. The combination of macroscopic high-speed photography and three-dimensional X-ray imaging has identified the development of failure with these polymers and shown that there is no abrupt transition in behaviours but rather a continuous range of responses to competing operating mechanisms. The behaviours noted in PEEK in these polymers show critical gaps in understanding of polymer high strain-rate response.
C1 [Bourne, N. K.; Garcea, S. C.; Eastwood, D. S.; Parry, S.; Withers, P. J.; McDonald, S. A.] Univ Manchester, Sch Mat, Rutherford Appleton Lab, Didcot OX11 0FA, Oxon, England.
[Rau, C.] Diamond Light Source Ltd, Harwell Sci & Innovat Campus, Harwell OX11 0DE, Berks, England.
[Parry, S.] Def Sci & Technol Org, Adelaide, SA, Australia.
[Brown, E. N.] Los Alamos Natl Lab, Explos Sci & Shock Phys Div, Los Alamos, NM USA.
RP Bourne, NK (reprint author), Univ Manchester, Sch Mat, Rutherford Appleton Lab, Didcot OX11 0FA, Oxon, England.
EM neil.bourne@manchester.ac.uk
OI Bourne, Neil/0000-0002-8883-1196
FU EPSRC [EPSRC EP/I02249X/1, EP/M010619/1]
FX We acknowledge the EPSRC for the RCaH project funding EPSRC EP/I02249X/1
and platform grant funding EP/M010619/1. We acknowledge Diamond Light
Source for time on beamline I13-2 under proposal MT12203.
NR 30
TC 0
Z9 0
U1 3
U2 3
PU ROYAL SOC
PI LONDON
PA 6-9 CARLTON HOUSE TERRACE, LONDON SW1Y 5AG, ENGLAND
SN 1364-5021
EI 1471-2946
J9 P ROY SOC A-MATH PHY
JI Proc. R. Soc. A-Math. Phys. Eng. Sci.
PD JAN 1
PY 2017
VL 473
IS 2197
AR 20160495
DI 10.1098/rspa.2016.0495
PG 15
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA EJ7JI
UT WOS:000393397400004
PM 28265185
ER
PT J
AU Yang, Y
Yang, F
Sun, CJ
Zhao, HR
Hao, SJ
Brown, DE
Zhang, J
Ren, Y
AF Yang, Ying
Yang, Feng
Sun, Cheng-Jun
Zhao, Hairui
Hao, Shijie
Brown, Dennis E.
Zhang, Jiao
Ren, Yang
TI Ru-Fe alloy mediated alpha-Fe2O3 particles on mesoporous carbon
nanofibers as electrode materials with superior capacitive performance
SO RSC ADVANCES
LA English
DT Article
ID RAY-ABSORPTION SPECTROSCOPY; OXYGEN REDUCTION REACTION; METAL-ORGANIC
FRAMEWORK; SINGLE-ATOM CATALYSIS; LITHIUM-ION BATTERIES; SUPERCAPACITOR
ELECTRODES; NANOPOROUS CARBON; GREEN SYNTHESIS; OXIDE; NANOPARTICLES
AB We herein first report Ru-Fe alloy mediated alpha-Fe2O3 particles on mesoporous carbon nanofibers (RuFe@ Fe2O3/ mCNF) as electrode materials. Such ternary composites are facilely fabricated by skillful construction of Ru, Fe-containing zinc-trimesic acid metal organic framework fibers before one-step pyrolysis. The resulting RuFe@ Fe2O3 particles (20-33 nm) are evenly dispersed and firmly embedded into mesoporous carbon nanofibers formed simultaneously. In-depth characterization reveals that the RuFe@ Fe2O3 particles are mainly Ru(+ 3) substituted a-Fe2O3, present on the periphery of Ru-Fe alloys. Particle size, as well as composite porosity and conductivity are readily tailored by controlling the feed ratio of RuCl3 to FeCl3. The elaborately fabricated RuFe@ Fe2O3/ mCNF-25% (25 at% Ru in total metals) delivers a large specific capacitance of 285 F g(-1) at the scan rate of 1 mV s(-1) and a high energy density up to 47.6 W h kg(-1) at the current density of 0.25 A g(-1). It also shows good rate capability and outstanding cycling stability up to 5000 times (only 4.7% loss). Such a electrode has great potential for practical applications in electrochemical capacitors.
C1 [Yang, Ying; Yang, Feng; Zhao, Hairui; Hao, Shijie; Zhang, Jiao] China Univ Petr, State Key Lab Heavy Oil Proc, Beijing 102249, Peoples R China.
[Sun, Cheng-Jun; Ren, Yang] Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Brown, Dennis E.] Northern Illinois Univ, Dept Phys, De Kalb, IL 60115 USA.
RP Yang, Y (reprint author), China Univ Petr, State Key Lab Heavy Oil Proc, Beijing 102249, Peoples R China.
EM catalyticscience@163.com
FU National Natural Science Foundation of China [21303229, 51471187,
51571211]; Beijing Natural Science Foundation [2152025, 2152026];
Science Foundation of China University of Petroleum, Beijing
[2462013YJRC018]; University of Washington; Advanced Photon Source; U.S.
DOE [DE-AC02-06CH11357]
FX The authors gratefully acknowledge financial support from the National
Natural Science Foundation of China (21303229, 51471187, 51571211),
Beijing Natural Science Foundation (2152025, 2152026), and Science
Foundation of China University of Petroleum, Beijing (2462013YJRC018).
Sector 20 facilities at the Advanced Photon Source, and research at
these facilities, are supported by the US Department of Energy-Basic
Energy Sciences, the Canadian Light Source and its funding partners, the
University of Washington, and the Advanced Photon Source. Use of the
Advanced Photon Source, an Office of Science User Facility operated for
the U.S. Department of Energy (DOE) Office of Science by Argonne
National Laboratory, supported by the U.S. DOE under Contract No.
DE-AC02-06CH11357, is also acknowledged.
NR 44
TC 0
Z9 0
U1 18
U2 18
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2017
VL 7
IS 12
BP 6818
EP 6826
DI 10.1039/c6ra27324f
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA EK2KK
UT WOS:000393756000003
ER
PT J
AU Guan, QQ
Li, Y
Chen, Y
Shi, YZ
Gu, JJ
Li, B
Miao, RR
Chen, QL
Ning, P
AF Guan, Qingqing
Li, Yi
Chen, Yuan
Shi, Yuzhen
Gu, Junjie
Li, Bin
Miao, Rongrong
Chen, Qiuling
Ning, Ping
TI Sulfonated multi-walled carbon nanotubes for biodiesel production
through triglycerides transesterification
SO RSC ADVANCES
LA English
DT Article
ID FATTY-ACID-COMPOSITION; WASTE COOKING OIL; REACTION-KINETICS;
MASS-TRANSFER; CATALYSTS; ETHANOL; ESTERIFICATION; OPTIMIZATION;
EQUILIBRIUM; PERFORMANCE
AB Effective solid acid catalysts play a key role to produce high-quality biodiesel through triglyceride transesterification. The present work describes a facile technique for the synthesis of a high-performing sulfonated multi-walled carbon nanotube (S-MWCNTs) solid acid catalyst for fatty acid ethyl ester (biodiesel) production. The results indicated that S-MWCNTs possessed high acidity due to their polycyclic textural matrix. An overall conversion of 97.8% is achieved for triglycerides at 1 h, 150 degrees C using 3.7 wt% of catalyst in ethanol, outperforming its counterpart catalysts, such as hydrothermal carbonization synthesized sulfonated carbon and metal oxide catalyst WO3/ZrO2. This superior performance is a result of the high acidity that S-MWCNTs possess, stemming from their polycyclic textural matrix. The catalyst was fully characterized by BET, FT-IR, XPS and TEM measurements to understand and evaluate their physical and structural properties. Combining activity and characterization data enables the postulation of the following reaction mechanisms for triglyceride transesterification based on S-MWCNTs: SO3H groups first absorb triglycerides and ethanol through the interaction between the acid sites and the atomic oxygen. The carbonyl carbon was then attacked by the nucleophilic ethanol to produce fatty acidethyl ester (CH3CH2COOR), the final product. Findings from this work provide useful insights on designing effective solid acid catalysts via facile synthesis and regeneration protocol for the transesterification of triglyceride to produce biodiesels.
C1 [Guan, Qingqing; Li, Yi; Shi, Yuzhen; Gu, Junjie; Li, Bin; Miao, Rongrong; Chen, Qiuling; Ning, Ping] Kunming Univ Sci & Technol, Fac Environm Sci & Engn, Collaborat Innovat Ctr Western Typ Ind Environm P, Kunming 650500, Peoples R China.
[Chen, Yuan] Pacific Northwest Natl Lab, Inst Integrated Catalysis, Richland, WA 99354 USA.
RP Ning, P (reprint author), Kunming Univ Sci & Technol, Fac Environm Sci & Engn, Collaborat Innovat Ctr Western Typ Ind Environm P, Kunming 650500, Peoples R China.
EM ningping1958@163.com
FU National Natural Science Foundation of China [21307049, U1137603]; High
Technology Talent Introduction Project of Yunnan in China [2010CI110];
Collaborative Innovation Center of Western Typical Industry
Environmental Pollution Control
FX This work is supported by the National Natural Science Foundation of
China (21307049 and U1137603), the High Technology Talent Introduction
Project of Yunnan in China (2010CI110) and Collaborative Innovation
Center of Western Typical Industry Environmental Pollution Control.
NR 38
TC 0
Z9 0
U1 2
U2 2
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2017
VL 7
IS 12
BP 7250
EP 7258
DI 10.1039/c6ra28067f
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA EK2KK
UT WOS:000393756000054
ER
PT J
AU Yang, WH
Lu, WC
Ho, KM
Wang, CZ
AF Yang, Wen-Hua
Lu, Wen-Cai
Ho, K. M.
Wang, C. Z.
TI Hybrid silicon-carbon nanostructures for broadband optical absorption
SO RSC ADVANCES
LA English
DT Article
ID LITHIUM-ION BATTERIES; X-RAY-SCATTERING; SOLAR-CELLS; LIGHT-SCATTERING;
QUANTUM DOTS; ANODE MATERIAL; NANOPARTICLES; ARRAYS; C-60; SURFACE
AB Proper design of nanomaterials for broadband light absorption is a key factor for improving the conversion efficiency of solar cells. Here we present a hybrid design of silicon-carbon nanostructures with silicon clusters coated by carbon cages, i.e., Si-m@C(2)n for potential solar cell application. The optical properties of these hybrid nanostructures were calculated based on time dependent density function theory (TDDFT). The results show that the optical spectra of Si-m@C(2)n are very different from those of pure Sim and C-2n clusters. While the absorption spectra of pure carbon cages and Sim clusters exhibit peaks in the UV region, those of the Si-m@C(2)n nanostructures exhibit a significant red shift. Superposition of the optical spectra of various Si-m@C(2)n nanostructures forms a broad-band absorption, which extends to the visible light and infrared regions. The broadband adsorption of the assembled Si-m@C(2)n nanoclusters may provide a new approach for the design of high efficiency solar cell nanomaterials.
C1 [Yang, Wen-Hua; Lu, Wen-Cai] Qingdao Univ, Coll Phys, Qingdao 266071, Shandong, Peoples R China.
[Yang, Wen-Hua; Lu, Wen-Cai] Qingdao Univ, Growing Base State Key Lab, Lab Fiber Mat & Modern Text, Qingdao 266071, Shandong, Peoples R China.
[Lu, Wen-Cai] Jilin Univ, Inst Theoret Chem, Changchun 130021, Jilin, Peoples R China.
[Ho, K. M.; Wang, C. Z.] Iowa State Univ, Dept Phys & Astron, US DOE, Ames Lab, Ames, IA 50011 USA.
RP Yang, WH; Lu, WC (reprint author), Qingdao Univ, Coll Phys, Qingdao 266071, Shandong, Peoples R China.; Yang, WH; Lu, WC (reprint author), Qingdao Univ, Growing Base State Key Lab, Lab Fiber Mat & Modern Text, Qingdao 266071, Shandong, Peoples R China.; Lu, WC (reprint author), Jilin Univ, Inst Theoret Chem, Changchun 130021, Jilin, Peoples R China.
EM yangwh@qdu.edu.cn; wencailu@jlu.edu.cn
FU National Natural Science Foundation of China [21273122]; U.S. Department
of Energy (DOE), Office of Science, Basic Energy Sciences, Materials
Science and Engineering Division; U.S. DOE by Iowa State University
[DE-AC02-07CH11358]
FX This work was supported by the National Natural Science Foundation of
China (Grant No. 21273122). This work was also supported by the U.S.
Department of Energy (DOE), Office of Science, Basic Energy Sciences,
Materials Science and Engineering Division including a grant of computer
time at the National Energy Research Scientific Computing Centre (NERSC)
in Berkeley, CA. Ames Laboratory is operated for the U.S. DOE by Iowa
State University under contract # DE-AC02-07CH11358.
NR 55
TC 0
Z9 0
U1 0
U2 0
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2017
VL 7
IS 13
BP 8070
EP 8076
DI 10.1039/c6ra27764k
PG 7
WC Chemistry, Multidisciplinary
SC Chemistry
GA EK2KV
UT WOS:000393757100074
ER
PT J
AU Zayas, J
Ahlgrimm, J
AF Zayas, Jose
Ahlgrimm, Jim
TI Accelerating Offshore Renewable Energy
SO SEA TECHNOLOGY
LA English
DT Editorial Material
C1 [Zayas, Jose; Ahlgrimm, Jim] US DOE, Wind Energy Technol Off, Washington, DC 20585 USA.
RP Zayas, J (reprint author), US DOE, Wind Energy Technol Off, Washington, DC 20585 USA.
NR 0
TC 0
Z9 0
U1 1
U2 1
PU COMPASS PUBLICATIONS, INC
PI ARLINGTON
PA 1501 WILSON BLVD., STE 1001, ARLINGTON, VA 22209-2403 USA
SN 0093-3651
J9 SEA TECHNOL
JI Sea Technol.
PD JAN
PY 2017
VL 58
IS 1
BP 11
EP 13
PG 3
WC Engineering, Ocean
SC Engineering
GA EJ3ZK
UT WOS:000393151600002
ER
PT J
AU Vanhille, C
Pantea, C
Sinha, DN
AF Vanhille, Christian
Pantea, Cristian
Sinha, Dipen N.
TI Acoustic Characterization of Fluorinert FC-43 Liquid with Helium Gas
Bubbles: Numerical Experiments
SO SHOCK AND VIBRATION
LA English
DT Article
ID PARAMETER; FLUIDS; WAVES; B/A; NONLINEARITY; SIMULATION
AB In this work, we define the acoustic characteristics of a biphasic fluid consisting of static helium gas bubbles in liquid Fluorinert FC-43 and study the propagation of ultrasound of finite amplitudes in this medium. Very low sound speed and high sound attenuation are found, in addition to a particularly high acoustic nonlinear parameter. This result suggests the possibility of using this medium as a nonlinear enhancer in various applications. In particular, parametric generation of low ultrasonic frequencies is studied in a resonator cavity as a function of driving pressure showing high conversion efficiency. This work suggests that this medium could be used for applications such as parametric arrays, nondestructive testing, diagnostic medicine, sonochemistry, underwater acoustics, and ultrasonic imaging and to boost the shock formation in fluids.
C1 [Vanhille, Christian] Univ Rey Juan Carlos, Tulipan S-N, Madrid 28933, Spain.
[Pantea, Cristian; Sinha, Dipen N.] Los Alamos Natl Lab, Mat Phys & Applicat, MS D429, Los Alamos, NM 87545 USA.
RP Vanhille, C (reprint author), Univ Rey Juan Carlos, Tulipan S-N, Madrid 28933, Spain.
EM christian.vanhille@urjc.es
RI Pantea, Cristian/D-4108-2009
FU Ministry of Economy and Competitiveness of Spain [DPI2012-34613]; Los
Alamos National Laboratory [3N010A-DG08]
FX Christian Vanhille is deeply grateful to Dr. Cleofe Campos-Pozuelo. This
work is funded by the Ministry of Economy and Competitiveness of Spain
via the Research Project DPI2012-34613 and by the Los Alamos National
Laboratory (Program Code 3N010A-DG08).
NR 29
TC 0
Z9 0
U1 0
U2 0
PU HINDAWI LTD
PI LONDON
PA ADAM HOUSE, 3RD FLR, 1 FITZROY SQ, LONDON, WIT 5HE, ENGLAND
SN 1070-9622
EI 1875-9203
J9 SHOCK VIB
JI Shock Vib.
PY 2017
AR 2518168
DI 10.1155/2017/2518168
PG 7
WC Acoustics; Engineering, Mechanical; Mechanics
SC Acoustics; Engineering; Mechanics
GA EK6SC
UT WOS:000394053400001
ER
PT J
AU Fernandez, AM
Turner, JA
Lara-Lara, B
Deutsch, TG
AF Fernandez, A. M.
Turner, J. A.
Lara-Lara, B.
Deutsch, T. G.
TI Influence of support electrolytic in the electrodeposition of Cu-Ga-Se
thin films
SO SUPERLATTICES AND MICROSTRUCTURES
LA English
DT Article
DE Electrodeposition; Thin films; Chalcogenide compounds
ID ONE-STEP ELECTRODEPOSITION; SOLAR-CELLS; COMPLEXING AGENT; CYCLIC
VOLTAMMETRY; CUGASE2; CODEPOSITION; DEPOSITION; GALLIUM; INDIUM
AB CuGaSe2 is an important thin film electronic material that possesses several attributes that make it appealing for solar energy conversion. Due to its properties it can be incorporated in to various devices, among the greatest highlights are photovoltaic cells, as well as its potential use as photocathodes for hydrogen production, via the photo electrolysis. There are several methods of its preparation, most notably electrodeposition that has the potential for large areas and high volumes. Electrodeposition of ternary and/or quaternary semiconductors generally proceeds via the formation of a binary, which is subsequently reacted to form the ternary compound. Several conditions must be controlled to form binary compounds that include the use of complexing agents, buffers, temperature, etc. In this paper, we discuss the effect of anion composition in the electrolytic bath and the type of lithium salts, in order to manipulate the atomic concentration of CuGaSe2 during the electrodeposition of thin films, yielding copper-rich, gallium-rich or stoichiometric thin films. We also present the results of a study on the morphology and structure obtained using two types of substrates both before and after performing a heat treatment. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Fernandez, A. M.; Lara-Lara, B.] Univ Nacl Autonoma Mexico, Inst Energias Renovables, Ave Xochicalco S-N,Col Ruben Jaramillo, Temixco 62580, Mor, Mexico.
[Turner, J. A.; Deutsch, T. G.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Fernandez, AM (reprint author), Univ Nacl Autonoma Mexico, Inst Energias Renovables, Ave Xochicalco S-N,Col Ruben Jaramillo, Temixco 62580, Mor, Mexico.
EM afm@ier.unam.mx
FU U.S. Department of Energy (DOE) Fuel Cell Technology Office
[DEAC36-08-G028308]; NREL; program PASPA-UNAM; CONACYT
FX JAT and TGD acknowledge support from the U.S. Department of Energy (DOE)
Fuel Cell Technology Office under contract No. DEAC36-08-G028308 with
NREL. A.M. Fernandez expressed his gratitude to the program PASPA-UNAM
and CONACYT for the support received during the sabbatical grant. We
would like to thank to Maria Luisa Ramon Garcia for the XRD and Rogelio
Moran Elvira for SEM measurements.
NR 26
TC 0
Z9 0
U1 1
U2 1
PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD
PI LONDON
PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND
SN 0749-6036
J9 SUPERLATTICE MICROST
JI Superlattices Microstruct.
PD JAN
PY 2017
VL 101
BP 373
EP 383
DI 10.1016/j.spmi.2016.10.082
PG 11
WC Physics, Condensed Matter
SC Physics
GA EJ5GN
UT WOS:000393245900043
ER
PT J
AU Peck, MW
Smith, TJ
Anniballi, F
Austin, JW
Bano, L
Bradshaw, M
Cuervo, P
Cheng, LW
Derman, Y
Dorner, BG
Fisher, A
Hill, KK
Kalb, SR
Korkeala, H
Lindstrom, M
Lista, F
Luquez, C
Mazuet, C
Pirazzini, M
Popoff, MR
Rossetto, O
Rummel, A
Sesardic, D
Singh, BR
Stringer, SC
AF Peck, Michael W.
Smith, Theresa J.
Anniballi, Fabrizio
Austin, John W.
Bano, Luca
Bradshaw, Marite
Cuervo, Paula
Cheng, Luisa W.
Derman, Yagmur
Dorner, Brigitte G.
Fisher, Audrey
Hill, Karen K.
Kalb, Suzanne R.
Korkeala, Hannu
Lindstrom, Miia
Lista, Florigio
Luquez, Carolina
Mazuet, Christelle
Pirazzini, Marco
Popoff, Michel R.
Rossetto, Ornella
Rummel, Andreas
Sesardic, Dorothea
Singh, Bal Ram
Stringer, Sandra C.
TI Historical Perspectives and Guidelines for Botulinum Neurotoxin Subtype
Nomenclature
SO TOXINS
LA English
DT Review
DE botulinum; botulism; neurotoxins; subtypes; Clostridium botulinum;
guidelines; nomenclature
ID NONPROTEOLYTIC CLOSTRIDIUM-BOTULINUM; FRAGMENT LENGTH POLYMORPHISM;
NUCLEOTIDE-SEQUENCE ANALYSIS; ANTIBODY-BASED IMMUNOASSAY;
AMINO-ACID-SEQUENCE; INFANT BOTULISM; MONOCLONAL-ANTIBODIES; B
NEUROTOXIN; GROUP-I; GENETIC DIVERSITY
AB Botulinum neurotoxins are diverse proteins. They are currently represented by at least seven serotypes and more than 40 subtypes. New clostridial strains that produce novel neurotoxin variants are being identified with increasing frequency, which presents challenges when organizing the nomenclature surrounding these neurotoxins. Worldwide, researchers are faced with the possibility that toxins having identical sequences may be given different designations or novel toxins having unique sequences may be given the same designations on publication. In order to minimize these problems, an ad hoc committee consisting of over 20 researchers in the field of botulinum neurotoxin research was convened to discuss the clarification of the issues involved in botulinum neurotoxin nomenclature. This publication presents a historical overview of the issues and provides guidelines for botulinum neurotoxin subtype nomenclature in the future.
C1 [Peck, Michael W.; Stringer, Sandra C.] Inst Food Res, Norwich NR4 7UA, Norfolk, England.
[Smith, Theresa J.] United States Army Med Inst Infect Dis, Mol & Translat Sci Div, Ft Detrick, MD 21702 USA.
[Anniballi, Fabrizio] Ist Super Sanita, Natl Reference Ctr Botulism, I-29900161 Rome, Italy.
[Austin, John W.] Hlth Canada, Bur Microbial Hazards, Ottawa, ON K1A 0K9, Canada.
[Bano, Luca] Ist Zooprofilatt Sperimentale Venezie, I-31020 Treviso, Italy.
[Bradshaw, Marite] Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA.
[Cuervo, Paula] Univ Nacl Cuyo, Dept Patol, Area Microbiol, RA-450001 Mendoza, Argentina.
[Cheng, Luisa W.] USDA, Foodborne Toxin Detect & Prevent Res Unit, Western Reg Res Ctr, Albany, CA 94710 USA.
[Derman, Yagmur; Korkeala, Hannu; Lindstrom, Miia] Univ Helsinki, Dept Food Hyg & Environm Hlth, Fac Vet Med, FIN-00014 Helsinki, Finland.
[Dorner, Brigitte G.] Robert Koch Inst, D-13353 Berlin, Germany.
[Fisher, Audrey] Johns Hopkins Univ, Appl Phys Lab, Baltimore, MD 21218 USA.
[Hill, Karen K.] Los Alamos Natl Labs, Los Alamos, NM 87545 USA.
[Kalb, Suzanne R.] Ctr Dis Control & Prevent, Natl Ctr Environm Hlth, Atlanta, GA 30341 USA.
[Lista, Florigio] Army Med & Vet Res Ctr, I-00184 Rome, Italy.
[Luquez, Carolina] Ctr Dis Control & Prevent, Natl Ctr Emerging & Zoonot Infect Dis, Atlanta, GA 30329 USA.
[Mazuet, Christelle; Popoff, Michel R.] Inst Pasteur, Bacteries Anaerobies & Toxines, F-75015 Paris, France.
[Pirazzini, Marco; Rossetto, Ornella] Univ Padua, Dept Biomed Sci, I-35131 Padua, Italy.
[Rummel, Andreas] Hannover Med Sch, Inst Toxikol, D-30623 Hannover, Germany.
[Sesardic, Dorothea] Natl Inst Biol Stand & Controls, Potters Bar EN6 3QG, Herts, England.
[Singh, Bal Ram] Botulinum Res Ctr, Inst Adv Sci, N Dartmouth, MA 02747 USA.
RP Peck, MW (reprint author), Inst Food Res, Norwich NR4 7UA, Norfolk, England.
EM Mike.Peck@ifr.ac.uk; theresa.j.smith.ctr@mail.mil;
fabrizio.anniballi@iss.it; john.austin@hc-sc.gc.ca; lbano@izsvenezie.it;
mbradsha@wisc.edu; paulacuervo84@gmail.com; luisa.cheng@ars.usda.gov;
yagmur.derman@helsinki.fi; dornerb@rki.de; audrey.fischer@jhuapl.edu;
khill@lanl.gov; skalb@cdc.gov; hannu.korkeala@helsinki.fi;
miia.lindstrom@helsinki.fi; romano.lista@gmail.com; cluquez@cdc.gov;
christelle.mazuet@pasteur.fr; marcopiraz@gmail.com; mpopoff@pasteur.fr;
ornella.rossetto@unipd.it; Rummel.Andreas@mh-hannover.de;
thea.sesardic@nibsc.org; bsingh@inads.org; Sandra.Stringer@ifr.ac.uk
OI Austin, John/0000-0001-8824-0495
FU BBSRC Institute Strategic Programme on Gut Health and Food Safety
[BB/J004529/1]
FX The findings and conclusions in this report are those of the authors and
do not necessarily represent the official position of the Centers for
Disease Control and Prevention or the U.S. Department of Defense. We
gratefully acknowledge William Discher, United States Army Medical
Research Institute of Infectious Diseases (in generating the figures for
this publication), Sabine Pellett and Christine Rasetti-Escargueil. MWP
and SCS are grateful for support from the BBSRC Institute Strategic
Programme on Gut Health and Food Safety [grant number BB/J004529/1].
NR 113
TC 0
Z9 0
U1 5
U2 5
PU MDPI AG
PI BASEL
PA ST ALBAN-ANLAGE 66, CH-4052 BASEL, SWITZERLAND
SN 2072-6651
J9 TOXINS
JI Toxins
PD JAN
PY 2017
VL 9
IS 1
AR 38
DI 10.3390/toxins9010038
PG 21
WC Toxicology
SC Toxicology
GA EJ1OL
UT WOS:000392980000037
ER
PT J
AU Wang, YF
Specht, A
Liu, YZ
Finney, L
Maxey, E
Vogt, S
Zheng, W
Weisskopf, M
Nie, LH
AF Wang, Yufei
Specht, Aaron
Liu, Yingzi
Finney, Lydia
Maxey, Evan
Vogt, Stefan
Zheng, Wei
Weisskopf, Marc
Nie, Linda H.
TI Microdistribution of lead in human teeth using microbeam synchrotron
radiation X-ray fluorescence (mu-SRXRF)
SO X-RAY SPECTROMETRY
LA English
DT Article
ID PLASMA-MASS SPECTROMETRY; SPATIAL-DISTRIBUTION; CUMULATIVE LEAD; BLOOD
LEAD; EXPOSURE; ENAMEL; DENTIN; BONE; ZN; PB
AB Lead (Pb) exposure is known to be associated with adverse effects on human health, especially during the prenatal period and early childhood. The Pb content in teeth has been suggested as a useful biomarker for the evaluation of cumulative Pb exposure. This study was designed to employ the microbeam synchrotron radiation X-ray fluorescence technique to determine the microdistribution of Pb within the tooth to evaluate the reliability of the technique and the effectiveness of tooth Pb as a biomarker of Pb exposure. The results showed that in the incisor sample, Pb primarily deposited in secondary dentine region close to the pulp and secondarily at enamel exterior. In addition, Pb colocalised with Zn, indicating a positive correlation between Pb and Zn. By contrast, in the two molar samples, Pb accumulated principally in the pulp, and secondarily in the enamel. At the same time, Pb in these two molar samples colocalised with Ca instead of Zn as was observed in the incisor sample. Several batches of line scans further confirmed the conclusions. The feasibility of using microbeam synchrotron radiation X-ray fluorescence to determine the microdistribution of Pb in teeth and of using the tooth Pb, especially in dentine, as a biomarker was discussed. Copyright (C) 2016 John Wiley & Sons, Ltd.
C1 [Wang, Yufei; Specht, Aaron; Liu, Yingzi; Zheng, Wei; Nie, Linda H.] Purdue Univ, Sch Hlth Sci, W Lafayette, IN 47907 USA.
[Finney, Lydia; Maxey, Evan; Vogt, Stefan] Argonne Natl Lab, Adv Photon Source, Lemont, IL 60439 USA.
[Weisskopf, Marc] Harvard TH Chan Sch Publ Hlth, Dept Environm Hlth, Boston, MA 02215 USA.
[Weisskopf, Marc] Harvard TH Chan Sch Publ Hlth, Dept Epidemiol, Boston, MA 02215 USA.
RP Nie, LH (reprint author), Purdue Univ, Sch Hlth Sci, W Lafayette, IN 47907 USA.
EM hnie@purdue.edu
FU Purdue University Nuclear Regulatory Commission (NRC) Faculty
Development Grant [NRC-HQ-11-G-38-0006]
FX The grant of this study comes from Purdue University Nuclear Regulatory
Commission (NRC) Faculty Development Grant NRC-HQ-11-G-38-0006.
NR 34
TC 1
Z9 1
U1 2
U2 2
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0049-8246
EI 1097-4539
J9 X-RAY SPECTROM
JI X-Ray Spectrom.
PD JAN-FEB
PY 2017
VL 46
IS 1
BP 19
EP 26
DI 10.1002/xrs.2720
PG 8
WC Spectroscopy
SC Spectroscopy
GA EJ6GT
UT WOS:000393318100004
ER
PT J
AU Wang, MX
Seo, SE
Gabrys, PA
Fleischman, D
Lee, B
Kim, Y
Atwater, HA
Macfarlane, RJ
Mirkin, CA
AF Wang, Mary X.
Seo, Soyoung E.
Gabrys, Paul A.
Fleischman, Dagny
Lee, Byeongdu
Kim, Youngeun
Atwater, Harry A.
Macfarlane, Robert J.
Mirkin, Chad A.
TI Epitaxy: Programmable Atom Equivalents Versus Atoms
SO ACS NANO
LA English
DT Article
DE DNA; epitaxy; nanoparticles; self-assembly; thin film
ID DNA-NANOPARTICLE SUPERLATTICES; OPTICAL-PROPERTIES; THIN-FILMS; GROWTH;
CRYSTALLIZATION; ARRAYS; BOND
AB The programmability of DNA makes it an attractive structure-directing ligand for the assembly of nanoparticle (NP) superlattices in a manner that mimics many aspects of atomic crystallization. However, the synthesis of multilayer single crystals of defined size remains a challenge. Though previous studies considered lattice mismatch as the major limiting factor for multilayer assembly, thin film growth depends on many interlinked variables. Here, a more comprehensive approach is taken to study fundamental elements, such as the growth temperature and the thermodynamics of interfacial energetics, to achieve epitaxial growth of NP thin films. Both surface morphology and internal thin film structure are examined to provide an understanding of particle attachment and reorganization during growth. Under equilibrium conditions, single crystalline, multilayer thin films can be synthesized over 500 X 500 mu m(2) areas on lithographically patterned templates, whereas deposition under kinetic conditions leads to the rapid growth of glassy films. Importantly, these superlattices follow the same patterns of crystal growth demonstrated in atomic thin film deposition, allowing these processes to be understood in the context of well-studied atomic epitaxy and enabling a nanoscale model to study fundamental crystallization processes. Through understanding the role of epitaxy as a driving force for NP assembly, we are able to realize 3D architectures of arbitrary domain geometry and size.
C1 [Wang, Mary X.; Mirkin, Chad A.] Northwestern Univ, Dept Chem & Biol Engn, Evanston, IL 60208 USA.
[Wang, Mary X.; Seo, Soyoung E.; Kim, Youngeun; Mirkin, Chad A.] Northwestern Univ, Int Inst Nanotechnol, Evanston, IL 60208 USA.
[Seo, Soyoung E.; Mirkin, Chad A.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.
[Kim, Youngeun; Mirkin, Chad A.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA.
[Gabrys, Paul A.; Macfarlane, Robert J.] MIT, Dept Mat Sci & Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
[Fleischman, Dagny; Atwater, Harry A.] CALTECH, Thomas J Watson Labs Appl Phys, 1200 East Calif Blvd, Pasadena, CA 91125 USA.
[Lee, Byeongdu] Argonne Natl Lab, Xray Sci Div, 9700 South Cass Ave, Argonne, IL 60439 USA.
RP Mirkin, CA (reprint author), Northwestern Univ, Dept Chem & Biol Engn, Evanston, IL 60208 USA.; Mirkin, CA (reprint author), Northwestern Univ, Int Inst Nanotechnol, Evanston, IL 60208 USA.; Mirkin, CA (reprint author), Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.; Mirkin, CA (reprint author), Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA.; Macfarlane, RJ (reprint author), MIT, Dept Mat Sci & Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
EM rmacfarl@mit.edu; chadnano@northwestern.edu
OI Lee, Byeongdu/0000-0003-2514-8805
FU AFOSR [FA9550-11-1-0275, FA9550-12-1-0280]; Department of Defense
National Security Science and Engineering Faculty Fellowship
[N00014-15-1-0043]; Center for Bio-Inspired Energy Science (CBES), an
Energy Frontier Research Center - U.S. Department of Energy (DOE),
Office of Science, Basic Energy Sciences [DE-SC0000989-0002]; National
Science Foundation's (NSF) MRSEC program [DMR-1121262]; Soft and Hybrid
Nanotechnology Experimental (SHyNE) Resource [NSF NNCI-1542205]; U.S.
DOE Office of Science [DE-AC02-06CH11357]; MRSEC Program of the NSF
[DMR-1419807]; National Science Foundation; Ryan Fellowship;
Northwestern University International Institute for Nanotechnology;
Center for Bio-Inspired Energy Sciences Fellowship
FX This work was supported by the following awards: AFOSR FA9550-11-1-0275
and FA9550-12-1-0280; the Department of Defense National Security
Science and Engineering Faculty Fellowship N00014-15-1-0043; and the
Center for Bio-Inspired Energy Science (CBES), an Energy Frontier
Research Center funded by the U.S. Department of Energy (DOE), Office of
Science, Basic Energy Sciences under award DE-SC0000989-0002. This work
was also supported by the National Science Foundation's (NSF) MRSEC
program (DMR-1121262) and made use of its Shared Facilities at the
Materials Research Center of Northwestern University, specifically the
EPIC facility of the NUANCE Center, which also receives support from the
Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF
NNCI-1542205). X-ray experiments were carried out at beamline 12-ID-B at
the Advanced Photon Source (APS), a U.S. DOE Office of Science User
Facility operated by Argonne National Laboratory under Contract No.
DE-AC02-06CH11357. EBL was performed at the Kavli Nanoscience
Institute's shared instrumentation center. FIB-SEM was performed at the
Shared Experimental Facilities supported in part by the MRSEC Program of
the NSF (DMR-1419807). M.X.W. acknowledges support from the National
Science Foundation Graduate Research Fellowship, a Ryan Fellowship, and
the Northwestern University International Institute for Nanotechnology.
S.E.S. acknowledges support from the Center for Bio-Inspired Energy
Sciences Fellowship and the Northwestern University International
Institute for Nanotechnology. Y.K. acknowledges support from a Ryan
Fellowship and the Northwestern University International Institute for
Nanotechnology.
NR 30
TC 0
Z9 0
U1 10
U2 10
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1936-0851
EI 1936-086X
J9 ACS NANO
JI ACS Nano
PD JAN
PY 2017
VL 11
IS 1
BP 180
EP 185
DI 10.1021/acsnano.6b06584
PG 6
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA EJ0GL
UT WOS:000392886500018
PM 28114758
ER
PT J
AU Abbasi, P
Asadi, M
Liu, C
Sharifi-Asl, S
Sayahpour, B
Behranginia, A
Zapol, P
Shahbazian-Yassar, R
Curtiss, LA
Salehi-Khojin, A
AF Abbasi, Pedram
Asadi, Mohammad
Liu, Cong
Sharifi-Asl, Soroosh
Sayahpour, Baharak
Behranginia, Amirhossein
Zapol, Peter
Shahbazian-Yassar, Reza
Curtiss, Larry A.
Salehi-Khojin, Amin
TI Tailoring the Edge Structure of Molybdenum Disulfide toward
Electrocatalytic Reduction of Carbon Dioxide
SO ACS NANO
LA English
DT Article
DE electrocatalysis; CO2 reduction reaction; transition-metal
dichalcogenides; atomic doping; ionic liquid
ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; HYDROGEN EVOLUTION; CO2
REDUCTION; IONIC LIQUID; MOS2; CATALYSTS; SITES; NANOPARTICLES; SURFACE
AB Electrocatalytic conversion of carbon dioxide (CO2) into energy-rich fuels is considered to be the most efficient approach to achieve a carbon neutral cycle. Transition-metal dichalcogenides (TMDCs) have recently shown a very promising catalytic performance for CO2 reduction reaction in an ionic liquid electrolyte. Here, we report that the catalytic performance of molybdenum disulfide (MoS2), a member of TMDCs, can be significantly improved by using an appropriate dopant. Our electrochemical results indicate that 5% niobium (Nb)-doped vertically aligned MoS2 in ionic liquid exhibits 1 order of magnitude higher CO formation turnover frequency (TOF) than pristine MoS2 at an overpotential range of 50-150 mV. The TOF of this catalyst is also 2 orders of magnitude higher than that of Ag nanoparticles over the entire range of studied overpotentials (100-650 mV). Moreover, the in situ differential electrochemical mass spectrometry experiment shows the onset overpotential of 31 mV for this catalyst, which is the lowest onset potential for CO2 reduction reaction reported so far. Our density functional theory calculations reveal that low concentrations of Nb near the Mo edge atoms can enhance the TOF of CO formation by modifying the binding energies of intermediates to MoS2 edge atoms.
C1 [Abbasi, Pedram; Asadi, Mohammad; Sharifi-Asl, Soroosh; Sayahpour, Baharak; Behranginia, Amirhossein; Shahbazian-Yassar, Reza; Salehi-Khojin, Amin] Univ Illinois, Dept Mech & Ind Engn, Chicago, IL 60607 USA.
[Liu, Cong; Zapol, Peter; Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Salehi-Khojin, A (reprint author), Univ Illinois, Dept Mech & Ind Engn, Chicago, IL 60607 USA.
EM salehikh@uic.edu
OI Liu, Cong/0000-0002-2145-5034
FU National Science Foundation [NSF-CBET-1512647]; MRSEC program at the
Materials Research Center [NSF DMR-1121262]; U.S. Department of Energy
from the Division of Materials Science and Engineering, Basic Energy
Science [DE-AC0206CH11357]; NSF [DMR-1620901]; [NSF-DMR-1420709]
FX A.S.K. work was supported by National Science Foundation (grant no.
NSF-CBET-1512647). The authors acknowledge the MRSEC Materials
Preparation and Measurement Laboratory shared user facility at the
University of Chicago (grant no. NSF-DMR-1420709). The authors also
acknowledge the EPIC facility (NUANCE Center, Northwestern University),
which has received support from the MRSEC program (NSF DMR-1121262) at
the Materials Research Center; the Nanoscale Science and Engineering
Center (NSF EEC-0647560) at the International Institute for
Nanotechnology; and the State of Illinois, through the International
Institute for Nanotechnology. The work at Argonne National Laboratory
was supported by the U.S. Department of Energy under contract
DE-AC0206CH11357 from the Division of Materials Science and Engineering,
Basic Energy Science (P. Z., C.L., and L.A.C.). R.S.Y and S.S.A.
acknowledge the financial support from NSF DMR-1620901.
NR 34
TC 0
Z9 0
U1 63
U2 63
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1936-0851
EI 1936-086X
J9 ACS NANO
JI ACS Nano
PD JAN
PY 2017
VL 11
IS 1
BP 453
EP 460
DI 10.1021/acsnano.6b06392
PG 8
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA EJ0GL
UT WOS:000392886500046
PM 27991762
ER
PT J
AU Bielinski, AR
Boban, B
He, Y
Kazyak, E
Lee, DH
Wang, CM
Tuteja, A
Dasgupta, NP
AF Bielinski, Ashley R.
Boban, Bielinski
He, Yang
Kazyak, Eric
Lee, Duck Hyun
Wang, Chongmin
Tuteja, Anish
Dasgupta, Neil P.
TI Rational Design of Hyperbranched Nanowire Systems for Tunable
Superomniphobic Surfaces Enabled by Atomic Layer Deposition
SO ACS NANO
LA English
DT Article
DE hierarchical; nanowire; atomic layer deposition; materials by design;
superomniphobic; superhydrophobic
ID CONTACT-ANGLE HYSTERESIS; SEMICONDUCTOR NANOWIRES; SUPEROLEOPHOBIC
SURFACES; ROUGH SURFACES; ZNO NANOWIRES; WATER; GROWTH;
HETEROSTRUCTURES; WETTABILITY; HIERARCHY
AB Superomniphobic surfaces display contact angles of theta* > 150 degrees and low contact angle hysteresis with virtually all high and low surface tension liquids. The introduction of hierarchical scales of texture can increase the contact angles and decrease the contact angle hysteresis of superomniphobic surfaces by reducing the solid liquid contact area. Thus far, it has not been possible to fabricate superomniphobic surfaces with three or more hierarchical scales of texture where the size, spacing, and angular orientation of features within each scale of texture can be independently varied and controlled. Here, we report a method for tunable control of geometry in hyperbranched ZnO nanowire (NW) structures, which in turn enables the rational design and fabrication of superomniphobic surfaces. Branched NWs with tunable density and orientation were grown via a sequential hydrothermal process, in which atomic layer deposition was used for NW seeding, disruption of epitaxy, and selective blocking of NW nucleation. This approach allows for the rational design and optimization of three level hierarchical structures, in which the geometric parameters of each level of hierarchy can be individually controlled. We demonstrate the coupled relationships between geometry and contact angles for a variety of liquids, which is supported by mathematical models. The highest performing superomniphobic surface was designed with three levels of hierarchy and achieved the following advancing/receding contact angles with water 172 degrees/170 degrees, hexadecane 166 degrees/156 degrees, octane 162 degrees/145 degrees, and heptane 160 degrees/130 degrees.
C1 [Bielinski, Ashley R.; Kazyak, Eric; Dasgupta, Neil P.] Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA.
[Boban, Bielinski; Tuteja, Anish] Univ Michigan, Dept Macromol Sci & Engn, Ann Arbor, MI 48109 USA.
[Lee, Duck Hyun; Tuteja, Anish] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA.
[Tuteja, Anish] Univ Michigan, Dept Chem Engn, Ann Arbor, MI 48109 USA.
[Tuteja, Anish] Univ Michigan, Biointerfaces Inst, Ann Arbor, MI 48109 USA.
[He, Yang; Wang, Chongmin] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA.
[Wang, Chongmin] Pacific Northwest Natl Lab, Richland, WA 99354 USA.
RP Dasgupta, NP (reprint author), Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA.; Tuteja, A (reprint author), Univ Michigan, Dept Macromol Sci & Engn, Ann Arbor, MI 48109 USA.; Tuteja, A (reprint author), Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA.; Tuteja, A (reprint author), Univ Michigan, Dept Chem Engn, Ann Arbor, MI 48109 USA.; Tuteja, A (reprint author), Univ Michigan, Biointerfaces Inst, Ann Arbor, MI 48109 USA.
EM atuteja@umich.edu; ndasgupt@umich.edu
OI Dasgupta, Neil/0000-0002-5180-4063
FU National Science Foundation [DGE-1256260, 1351412]; Office of Naval
Research (ONR) [N00014-12-1-0874]; Air Force Office of Scientific
Research (AFOSR) [FA9550-15-1-0329]; DOE's Office of Biological and
Environmental Research; DOE [DE-AC05-76RLO1830]
FX This material is based upon work supported by the National Science
Foundation under the Graduate Research Fellowship Program under Grant
No. DGE-1256260 as well as the Nanomanufacturing Program under Grant No.
1351412. Any opinions, findings, and conclusions or recommendations
expressed in this material are those of the authors and do not
necessarily reflect the views of the National Science Foundation.
Support was also provided by Dr. Ki-Han Kim and the Office of Naval
Research (ONR) under Grant No. N00014-12-1-0874, and Dr. Charles Y. Lee
and the Air Force Office of Scientific Research (AFOSR) under Grant No.
FA9550-15-1-0329. The S/TEM work was conducted in the William R. Wiley
Environmental Molecular Sciences Laboratory (EMSL), a national
scientific user facility sponsored by DOE's Office of Biological and
Environmental Research and located at PNNL. PNNL is operated by Battelle
for the DOE under Contract DE-AC05-76RLO1830. Lithography was performed
at the Lurie Nanofabrication Facility.
NR 59
TC 0
Z9 0
U1 10
U2 10
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1936-0851
EI 1936-086X
J9 ACS NANO
JI ACS Nano
PD JAN
PY 2017
VL 11
IS 1
BP 478
EP 489
DI 10.1021/acsnano.6b06463
PG 12
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA EJ0GL
UT WOS:000392886500049
PM 28114759
ER
PT J
AU Jahed, Z
Shahsavan, H
Verma, MS
Rogowski, JL
Seo, BB
Zhao, BX
Tsui, TY
Gu, FX
Mofrad, MRK
AF Jahed, Zeinab
Shahsavan, Hamed
Verma, Mohit S.
Rogowski, Jacob L.
Seo, Brandon B.
Zhao, Boxin
Tsui, Ting Y.
Gu, Frank X.
Mofrad, Mohammad R. K.
TI Bacterial Networks on Hydrophobic Micropillars
SO ACS NANO
LA English
DT Article
DE Bacterial communication; cell patterning biofilm; microbiome;
Staphylococcus aureus; antibiotic resistance; methicillin-resistant
Staphylococcus aureus (MRSA)
ID HORIZONTAL GENE-TRANSFER; STAPHYLOCOCCUS-AUREUS; BIOFILM FORMATION;
METHICILLIN-RESISTANT; SOLID-SURFACES; ARRAYS; CELLS; CONFINEMENT;
NANOWIRES; VIRULENCE
AB Bacteria have evolved as intelligent microorganisms that can colonize and form highly structured and cooperative multicellular communities with sophisticated singular and collective behaviors. The initial stages of colony formation and intercellular communication are particularly important to understand and depend highly on the spatial organization of cells. Controlling the distribution and growth of bacterial cells at the nanoscale is, therefore, of great interest in understanding the mechanisms of cell cell communication at the initial stages of colony formation. Staphyloccocus aureus, a ubiquitous human pathogen, is of specific clinical importance due to the rise of antibiotic resistant strains of this species, which can cause life-threatening infections. Although several methods have attempted to pattern bacterial cells onto solid surfaces at single cell resolution, no study has truly controlled the 3D architectures of growing colonies. Herein, we present a simple, low-cost method to pattern S. aureus bacterial colonies and control the architecture of their growth. Using, the wetting properties of micropatterened poly(dimethyl siloxane) platforms, with help from the physiological activities of the S. aureus cells, we fabricated connected networks of bacterial microcolonies of various sizes. Unlike conventional heterogeneous growth of biofilms on surfaces, the patterned S. aureus microcolonies in this work grow radially from nanostrings of a few bacterial cells, to form micrometer-thick rods when provided with a nutrient rich environment. This simple, efficient, and low-cost method can be used as a platform for studies of cell cell communication phenomena, such as quorum sensing, horizontal gene transfer, and metabolic cross-feeding especially during initial stages of colony formation.
C1 [Jahed, Zeinab; Mofrad, Mohammad R. K.] Univ Calif Berkeley, Mol Cell Biomech Lab, Dept Bioengn, 208A Stanley Hall, Berkeley, CA 94720 USA.
[Jahed, Zeinab; Mofrad, Mohammad R. K.] Univ Calif Berkeley, Mol Cell Biomech Lab, Dept Mech Engn, 208A Stanley Hall, Berkeley, CA 94720 USA.
[Mofrad, Mohammad R. K.] Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, Berkeley, CA 94720 USA.
[Shahsavan, Hamed; Verma, Mohit S.; Rogowski, Jacob L.; Seo, Brandon B.; Zhao, Boxin; Tsui, Ting Y.; Gu, Frank X.] Univ Waterloo, Dept Chem Engn, 200 Univ Ave West, Waterloo, ON N2L 3G1, Canada.
RP Mofrad, MRK (reprint author), Univ Calif Berkeley, Mol Cell Biomech Lab, Dept Bioengn, 208A Stanley Hall, Berkeley, CA 94720 USA.; Mofrad, MRK (reprint author), Univ Calif Berkeley, Mol Cell Biomech Lab, Dept Mech Engn, 208A Stanley Hall, Berkeley, CA 94720 USA.; Mofrad, MRK (reprint author), Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, Berkeley, CA 94720 USA.
EM mofrad@berkeley.edu
OI Gu, Frank/0000-0001-8749-9075
NR 44
TC 0
Z9 0
U1 6
U2 6
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1936-0851
EI 1936-086X
J9 ACS NANO
JI ACS Nano
PD JAN
PY 2017
VL 11
IS 1
BP 675
EP 683
DI 10.1021/acsnano.6b06985
PG 9
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA EJ0GL
UT WOS:000392886500069
PM 28045495
ER
PT J
AU Guo, PJ
Weimer, MS
Emery, JD
Diroll, BT
Chen, XQ
Hock, AS
Chang, RPH
Martinson, ABF
Schaller, RD
AF Guo, Peijun
Weimer, Matthew S.
Emery, Jonathan D.
Diroll, Benjamin T.
Chen, Xinqi
Hock, Adam S.
Chang, Robert P. H.
Martinson, Alex B. F.
Schaller, Richard D.
TI Conformal Coating of a Phase Change Material on Ordered Plasmonic
Nanorod Arrays for Broadband All-Optical Switching
SO ACS NANO
LA English
DT Article
DE indium-tin-oxide (ITO); vanadium dioxide (VO2); phase change; atomic
layer deposition; plasmonics; ultrafast spectroscopy
ID VANADIUM DIOXIDE; INSULATOR-TRANSITION; THIN-FILMS; VO2; METAMATERIALS;
POLARITONS; MODULATION; STORAGE; MEMORY
AB Actively tunable optical transmission through artificial metamaterials holds great promise for next-generation nanophotonic devices and metasurfaces. Plasmonic nanostructures and phase change materials have been extensively studied to this end due to their respective strong interactions with light and tunable dielectric constants under external stimuli. Seamlessly integrating plasmonic components with phase change materials, as demonstrated in the present work, can facilitate phase change by plasmonically enabled light confinement and meanwhile make use of the high sensitivity of plasmon resonances to the variation of dielectric constant associated with the phase change. The hybrid platform here is composed of plasmonic indium tin-oxide nanorod arrays (ITO-NRAs) conformally coated with an ultrathin layer of a prototypical phase change material, vanadium dioxide (VO2), which enables all-optical modulation of the infrared as well as the visible spectral ranges. The interplay between the intrinsic plasmonic nonlinearity of ITO-NRAs and the phase transition induced permittivity change of VO2 gives rise to spectral and temporal responses that cannot be achieved with individual material components alone.
C1 [Guo, Peijun; Diroll, Benjamin T.; Schaller, Richard D.] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 South Cass Ave, Lemont, IL 60439 USA.
[Weimer, Matthew S.; Martinson, Alex B. F.] Argonne Natl Lab, Div Mat Sci, 9700 South Cass Ave, Lemont, IL 60439 USA.
[Hock, Adam S.] Argonne Natl Lab, Chem Sci & Engn Div, 9700 South Cass Ave, Lemont, IL 60439 USA.
[Weimer, Matthew S.; Hock, Adam S.] IIT, Dept Chem, 3101 South Dearborn St, Chicago, IL 60616 USA.
[Emery, Jonathan D.; Chang, Robert P. H.] Northwestern Univ, Dept Mat Sci & Engn, 2145 Sheridan Rd, Evanston, IL 60208 USA.
[Chen, Xinqi] Northwestern Univ, Dept Mech Engn, 2145 Sheridan Rd, Evanston, IL 60208 USA.
[Chen, Xinqi] Northwestern Univ, Northwestern Univ Atom & Nanoscale Characterizat, 2145 Sheridan Rd, Evanston, IL 60208 USA.
[Schaller, Richard D.] Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.
RP Schaller, RD (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 South Cass Ave, Lemont, IL 60439 USA.; Schaller, RD (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.
EM schaller@anl.gov
OI Martinson, Alex/0000-0003-3916-1672
FU Center for Nanoscale Materials, a U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences User Facility
[DE-AC02-06CH11357]; MRSEC program at Northwestern University [NSF
DMR-1121262]; Argonne-Northwestern Solar Energy Research (ANSER) Center,
an Energy Frontier Research Center - DOE, Office of Science, BES
[DE-SC0001059]; ARCS Foundation; IIT Department of Chemistry Kilpatrick
Fellowship; Northwestern Argonne Institute of Science and Engineering
(NAISE); International Institute for Nanotechnology (IIN); MRSEC [NSF
DMR-1121262]; Keck Foundation; State of Illinois; Northwestern
University
FX The work was performed at the Center for Nanoscale Materials, a U.S.
Department of Energy, Office of Science, Office of Basic Energy Sciences
User Facility, under Contract No. DE-AC02-06CH11357. R.P.H.C.
acknowledges support from the MRSEC program (NSF DMR-1121262) at
Northwestern University. Work by A.B.F.M. was supported by the
Argonne-Northwestern Solar Energy Research (ANSER) Center, an Energy
Frontier Research Center funded by DOE, Office of Science, BES, under
Award No. DE-SC0001059. M.S.W. acknowledges support from the ARCS
Foundation and the IIT Department of Chemistry Kilpatrick Fellowship.
J.D.E. was supported in part by the Northwestern Argonne Institute of
Science and Engineering (NAISE). The SEM, ellipsometry and Raman
experiments were performed in the NUANCE Center at Northwestern
University. The NUANCE Center is supported by the International
Institute for Nanotechnology (IIN), MRSEC (NSF DMR-1121262), the Keck
Foundation, the State of Illinois, and Northwestern University. We thank
Dr. In Soo Kim for insightful discussions.
NR 43
TC 0
Z9 0
U1 28
U2 28
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1936-0851
EI 1936-086X
J9 ACS NANO
JI ACS Nano
PD JAN
PY 2017
VL 11
IS 1
BP 693
EP 701
DI 10.1021/acsnano.6b07042
PG 9
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA EJ0GL
UT WOS:000392886500071
PM 27991757
ER
PT J
AU Cheng, SW
Xie, SJ
Carrillo, JMY
Carroll, B
Martin, H
Cao, PF
Dadmun, MD
Sumpter, BG
Novikov, VN
Schweizer, KS
Sokolov, AP
AF Cheng, Shiwang
Xie, Shi-Jie
Carrillo, Jan-Michael Y.
Carroll, Bobby
Martin, Halie
Cao, Peng-Fei
Dadmun, Mark D.
Sumpter, Bobby G.
Novikov, Vladimir N.
Schweizer, Kenneth S.
Sokolov, Alexei P.
TI Big Effect of Small Nanoparticles: A Shift in Paradigm for Polymer
Nanocomposites
SO ACS NANO
LA English
DT Article
DE polymer nanocomposites; small nanoparticles; glass transition;
fragility; apparent disentanglement
ID MECHANICAL REINFORCEMENT; MOLECULAR-DYNAMICS; GLASS-TRANSITION; MELTS;
MODEL; COMPOSITES; NANOSCALE; PARTICLES; MOBILITY; NETWORK
AB Polymer nanocomposites (PNCs) are important materials that are widely used in many current technologies and potentially have broader applications in the future due to their excellent property tunability, light weight, and low cost. However, expanding the limits in property enhancement remains a fundamental scientific challenge. Here, we demonstrate that well-dispersed, small (diameter similar to 1.8 nm) nanoparticles with attractive interactions lead to unexpectedly large and qualitatively different changes in PNC structural dynamics in comparison to conventional nanocomposites based on particles of diameters similar to 10-50 nm. At the same time, the zero-shear viscosity at high temperatures remains comparable to that of the neat polymer, thereby retaining good processability and resolving a major challenge in PNC applications. Our results suggest that the nanoparticle mobility and relatively short lifetimes of nanopartide-polymer associations open qualitatively different horizons in the tunability of macroscopic properties in nanocomposites with a high potential for the development of advanced functional materials.
C1 [Cheng, Shiwang; Cao, Peng-Fei; Dadmun, Mark D.; Sokolov, Alexei P.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Carrillo, Jan-Michael Y.; Sumpter, Bobby G.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
[Carrillo, Jan-Michael Y.; Sumpter, Bobby G.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Xie, Shi-Jie; Schweizer, Kenneth S.] Univ Illinois, Dept Mat Sci & Chem, Frederick Seitz Mat Res Lab, Urbana, IL 61801 USA.
[Carroll, Bobby; Sokolov, Alexei P.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA.
[Martin, Halie; Dadmun, Mark D.; Novikov, Vladimir N.; Sokolov, Alexei P.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
RP Cheng, SW; Sokolov, AP (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.; Sokolov, AP (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA.; Sokolov, AP (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
EM chengs@ornl.gov; sokolov@utk.edu
RI Sumpter, Bobby/C-9459-2013;
OI Sumpter, Bobby/0000-0001-6341-0355; Carrillo, Jan
Michael/0000-0001-8774-697X; Cheng, Shiwang/0000-0001-7396-4407; Dadmun,
Mark/0000-0003-4304-6087
FU U.S. Department of Energy, Office of Science, Basic Energy Sciences,
Materials Science and Engineering Division; Office of Science of the
Department of Energy [DE-AC05-00OR22725]
FX This work was supported by the U.S. Department of Energy, Office of
Science, Basic Energy Sciences, Materials Science and Engineering
Division. This research used resources of the Oak Ridge Leadership
Computing Facility at Oak Ridge National Laboratory, which is supported
by the Office of Science of the Department of Energy under Contract
DE-AC05-00OR22725.
NR 47
TC 1
Z9 1
U1 23
U2 23
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1936-0851
EI 1936-086X
J9 ACS NANO
JI ACS Nano
PD JAN
PY 2017
VL 11
IS 1
BP 752
EP 759
DI 10.1021/acsnano.6b07172
PG 8
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA EJ0GL
UT WOS:000392886500077
PM 28051845
ER
PT J
AU Owuor, PS
Tsafack, T
Hwang, HY
Park, OK
Ozden, S
Bhowmick, S
Amanulla, SAS
Vajtai, R
Lou, J
Tiwary, CS
Ajayan, PM
AF Owuor, Peter Samora
Tsafack, Thierry
Hwang, Hye Yoon
Park, Ok-Kyung
Ozden, Sehmus
Bhowmick, Sanjit
Amanulla, Syed Asif Syed
Vajtai, Robert
Lou, Jun
Tiwary, Chandra Sekhar
Ajayan, Pulickel M.
TI Role of Atomic Layer Functionalization in Building Scalable Bottom-Up
Assembly of Ultra-Low Density Multifunctional Three-Dimensional
Nanostructures
SO ACS NANO
LA English
DT Article
DE silicon dioxide (SiO2); graphene oxide (GO); stiffness;
functionalization; molecular dynamics; silanes
ID GRAPHENE OXIDE; INORGANIC NANOPARTICLES; MECHANICAL-PROPERTIES;
MOLECULAR-DYNAMICS; GRAPHITE OXIDE; PART I; FOAMS; SOLIDS;
NANOCOMPOSITES; TRANSPARENT
AB Building three-dimensional (3D) structures from their constituent zero-, one-, and two-dimensional nanoscale building blocks in a bottom-up assembly is considered the holey grail of nanotechnology. However, fabricating such 3D nanostructures at ambient conditions still remains a challenge. Here, we demonstrate an easily scalable facile method to fabricate 3D nanostructures made up of entirely zero-dimensional silicon dioxide (SiO2) nanoparticles. By combining functional groups and vacuum filtration, we fabricate lightweight and highly structural stable 3D SiO2 materials. Further synergistic effect of material is shown by addition of a 2D material, graphene oxide (GO) as reinforcement which results in 15-fold increase in stiffness. Molecular dynamics (MD) simulations are used to understand the interaction between silane functional groups (3-aminopropyl triethoxysilane) and SiO2 nanoparticles thus confirming the reinforcement capability of GO. In addition, the material is stable under high temperature and offers a cost-effective alternative to both fire-retardant and oil absorption materials.
C1 [Owuor, Peter Samora; Tsafack, Thierry; Hwang, Hye Yoon; Park, Ok-Kyung; Vajtai, Robert; Lou, Jun; Tiwary, Chandra Sekhar; Ajayan, Pulickel M.] Rice Univ, Dept Mat Sci & NanoEngn, Houston, TX 77005 USA.
[Bhowmick, Sanjit; Amanulla, Syed Asif Syed] Hysitron Inc, Minneapolis, MN 55344 USA.
[Ozden, Sehmus] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA.
RP Lou, J; Tiwary, CS; Ajayan, PM (reprint author), Rice Univ, Dept Mat Sci & NanoEngn, Houston, TX 77005 USA.
EM jlou@rice.edu; cst.iisc@gmail.com; ajayan@rice.edu
OI Tiwary, Chandra Sekhar/0000-0001-9760-9768
FU Air Force Office of Scientific Research [FA9550-13-1-0084]; Air Force
Office of Scientific Research (MURI) [FA9550-12-1-0035]
FX The authors thank the Air Force Office of Scientific Research (Grant
FA9550-13-1-0084 and MURI Grant FA9550-12-1-0035) for financial support
of this research.
NR 40
TC 0
Z9 0
U1 10
U2 10
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1936-0851
EI 1936-086X
J9 ACS NANO
JI ACS Nano
PD JAN
PY 2017
VL 11
IS 1
BP 806
EP 813
DI 10.1021/acsnano.6b07249
PG 8
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA EJ0GL
UT WOS:000392886500083
PM 27977930
ER
PT J
AU Jiang, QL
Chen, MM
Li, JQ
Wang, MC
Zeng, XQ
Besara, T
Lu, J
Xin, Y
Shan, X
Pan, BC
Wang, CC
Lin, SC
Siegrist, T
Xiao, QF
Yu, ZB
AF Jiang, Qinglong
Chen, Mingming
Li, Junqiang
Wang, Mingchao
Zeng, Xiaoqiao
Besara, Tiglet
Lu, Jun
Xin, Yan
Shan, Xin
Pan, Bicai
Wang, Changchun
Lin, Shangchao
Siegrist, Theo
Xiao, Qiangfeng
Yu, Zhibin
TI Electrochemical Doping of Halide Perovskites with Ion Intercalation
SO ACS NANO
LA English
DT Article
DE halide perovskite; electrochemical; doping; intercalation; density
functional theory; light-emitting diodes
ID LIGHT-EMITTING-DIODES; SOLAR-CELLS; LITHIUM INTERCALATION; PHOTOVOLTAIC
CELLS; N-TYPE; CRYSTAL; ELECTROLUMINESCENCE; BATTERIES; CSPBBR3; ANATASE
AB Halide perovskites have recently been investigated for various solution-processed optoelectronic devices. The majority of studies have focused on using intrinsic halide perovskites, and the intentional incoporation of dopants has not been well explored. In this work, we discovered that small alkali ions, including lithium and sodium ions, could be electrochemically intercalated into a variety of halide and pseudohalide perovskites. The ion intercalation caused a lattice expansion of the perovskite crystals and resulted in an n-type doping of the perovskites. Such electrochemical doping improved the conductivity and changed the color of the perovskites, leading to an electrochromism with more than 40% reduction of transmittance in the 450-850 nm wavelength range. The doped perovskites exhibited improved electron injection efficiency into the pristine perovskite crystals, resulting in bright light-emitting diodes with a low turn-on voltage.
C1 [Jiang, Qinglong; Chen, Mingming; Li, Junqiang; Shan, Xin; Yu, Zhibin] Florida State Univ, High Performance Mat Inst, Dept Ind & Mfg Engn, Tallahassee, FL 32310 USA.
[Wang, Mingchao; Lin, Shangchao] Florida State Univ, Dept Mech Engn, Mat Sci & Engn Program, Tallahassee, FL 32310 USA.
[Siegrist, Theo] Florida State Univ, FAMU FSU Coll Engn, Chem & Biomed Engn, Tallahassee, FL 32310 USA.
[Xiao, Qiangfeng] Univ Calif Los Angeles, Dept Chem & Biomol Engn, Los Angeles, CA 90095 USA.
[Zeng, Xiaoqiao; Lu, Jun] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA.
[Besara, Tiglet; Xin, Yan] Natl High Magnet Field Lab, 1800 E Paul Dirac Dr, Tallahassee, FL 32310 USA.
[Pan, Bicai] Univ Sci & Technol China, Key Lab Strongly Coupled Quantum Matter Phys, Dept Phys, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China.
[Wang, Changchun] Fudan Univ, State Key Lab Mol Engn Polymers, Dept Macromol Sci, Adv Mat Lab, Shanghai 200433, Peoples R China.
RP Yu, ZB (reprint author), Florida State Univ, High Performance Mat Inst, Dept Ind & Mfg Engn, Tallahassee, FL 32310 USA.; Xiao, QF (reprint author), Univ Calif Los Angeles, Dept Chem & Biomol Engn, Los Angeles, CA 90095 USA.
EM qiangfeng.xiao@gmail.com; zyu@fsu.edu
RI Pan, Bicai/A-1235-2010; Besara, Tiglet/M-7969-2014
OI Besara, Tiglet/0000-0002-2143-2254
FU Air Force Office of Scientific Research [FA9550-16-1-0124]; National
Science Foundation [ECCS-1609032]; NSF [DMR-1157490]; State of Florida
FX The authors are thankful for the financial support from Air Force Office
of Scientific Research under Award FA9550-16-1-0124 (program manager Dr.
Charles Lee), and the support from National Science Foundation under
Award ECCS-1609032 (program manager Dr. Nadia El-Masry). TEM work was
performed at the National High Magnetic Field Laboratory, which is
supported by NSF DMR-1157490 and the State of Florida. The FSU Research
Computing Center (RCC) and the computational center of USTC are
acknowledged for computational support. We thank Mr. Thomas Geske for
critically reviewing the manuscript.
NR 33
TC 0
Z9 0
U1 20
U2 20
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1936-0851
EI 1936-086X
J9 ACS NANO
JI ACS Nano
PD JAN
PY 2017
VL 11
IS 1
BP 1073
EP 1079
DI 10.1021/acsnano.6b08004
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA EJ0GL
UT WOS:000392886500113
PM 28056176
ER
PT J
AU Letiche, M
Eustache, E
Freixas, J
Demortiere, A
De Andrade, V
Morgenroth, L
Tilmant, P
Vaurette, F
Troadec, D
Roussel, P
Brousse, T
Lethien, C
AF Letiche, Manon
Eustache, Etienne
Freixas, Jeremy
Demortiere, Arnaud
De Andrade, Vincent
Morgenroth, Laurence
Tilmant, Pascal
Vaurette, Francois
Troadec, David
Roussel, Pascal
Brousse, Thierry
Lethien, Christophe
TI Atomic Layer Deposition of Functional Layers for on Chip 3D Li-Ion All
Solid State Microbattery
SO ADVANCED ENERGY MATERIALS
LA English
DT Article
DE 3D microbatteries; atomic layer deposition; double microtubes; high
areal capacity; solid electrolytes
ID THIN-FILM LITHIUM; ENERGY-STORAGE; 3-DIMENSIONAL MICROBATTERY;
BATTERIES; ELECTRODES; ARCHITECTURES
AB Nowadays, millimeter scale power sources are key devices for providing autonomy to smart, connected, and miniaturized sensors. However, until now, planar solid state microbatteries do not yet exhibit a sufficient surface energy density. In that context, architectured 3D microbatteries appear therefore to be a good solution to improve the material mass loading while keeping small the footprint area. Beside the design itself of the 3D microbaterry, one important technological barrier to address is the conformal deposition of thin films (lithiated or not) on 3D structures. For that purpose, atomic layer deposition (ALD) technology is a powerful technique that enables conformal coatings of thin film on complex substrate. An original, robust, and highly efficient 3D scaffold is proposed to significantly improve the geometrical surface of miniaturized 3D microbattery. Four functional layers composing the 3D lithium ion microbattery stacking has been successfully deposited on simple and double microtubes 3D templates. In depth synchrotron X-ray nanotomography and high angle annular dark field transmission electron microscope analyses are used to study the interface between each layer. For the first time, using ALD, anatase TiO2 negative electrode is coated on 3D tubes with Li3PO4 lithium phosphate as electrolyte, opening the way to all solid-state 3D microbatteries. The surface capacity is significantly increased by the proposed topology (high area enlargement factor - thick 3D layer), from 3.5 A h cm(-2) for a planar layer up to 0.37 mA h cm(-2) for a 3D thin film (105 times higher).
C1 [Letiche, Manon; Eustache, Etienne; Freixas, Jeremy; Morgenroth, Laurence; Tilmant, Pascal; Vaurette, Francois; Troadec, David; Lethien, Christophe] Univ Lille Sci & Technol, Inst Elect Microelect & Nanotechnol, CNRS, UMR 8520, BP60069, F-59652 Villeneuve Dascq, France.
[Letiche, Manon; Roussel, Pascal] Univ Lille 1 Sci & Technol, UCCS, CNRS, UMR 81813, F-59655 Villeneuve Dascq, France.
[Letiche, Manon; Eustache, Etienne; Freixas, Jeremy; Demortiere, Arnaud; Brousse, Thierry; Lethien, Christophe] CNRS, FR 3459, Reseau Stockage Electrochim Energie, 33 Rue St Leu, F-80039 Amiens, France.
[Eustache, Etienne; Freixas, Jeremy; Brousse, Thierry] Univ Nantes, CNRS, Inst Mat Jean Rouxel, UMR 6502, 2 Rue Houssiniere,BP32229, F-44322 Nantes 3, France.
[Demortiere, Arnaud] Univ Picardie Jules Verne, LRCS, CNRS, UMR 7314, 100 Rue St Leu, F-80000 Amiens, France.
[De Andrade, Vincent] Argonne Natl Lab, Adv Photon Sources Beam Line, Bldg 401 Rm A4115,9700 S Cass Ave, Argonne, IL 60439 USA.
RP Lethien, C (reprint author), Univ Lille Sci & Technol, Inst Elect Microelect & Nanotechnol, CNRS, UMR 8520, BP60069, F-59652 Villeneuve Dascq, France.; Lethien, C (reprint author), CNRS, FR 3459, Reseau Stockage Electrochim Energie, 33 Rue St Leu, F-80039 Amiens, France.
EM christophe.lethien@iemn.univ-lille1.frv
OI Roussel, Pascal/0000-0001-7243-7293
FU ANR; DGA within the MECANANO project [ANR-12-ASTR-0032-01]; French
network on the electrochemical energy storage (RS2E); Store-Ex Labex;
French RENATECH network; Fonds Europeen de Developpement Regional
(FEDER); CNRS; Region Nord Pas-de-Calais; Ministere de l'Education
Nationale de l'Enseignement Superieur et de la Recherche
FX This research was financially supported by the ANR and the DGA within
the MECANANO project (ANR-12-ASTR-0032-01). The authors also want to
thank the French network on the electrochemical energy storage (RS2E),
the Store-Ex Labex, the French RENATECH network for the financial
support. C. Brillard from IEMN is also thanked for the AFM top surface
analysis. Finally, the Fonds Europeen de Developpement Regional (FEDER),
CNRS, Region Nord Pas-de-Calais, and Ministere de l'Education Nationale
de l'Enseignement Superieur et de la Recherche are acknowledged for
funding.
NR 41
TC 1
Z9 1
U1 27
U2 27
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 1614-6832
EI 1614-6840
J9 ADV ENERGY MATER
JI Adv. Energy Mater.
PD JAN
PY 2017
VL 7
IS 2
AR 1601402
DI 10.1002/aenm.201601402
PG 12
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary; Physics, Applied; Physics, Condensed Matter
SC Chemistry; Energy & Fuels; Materials Science; Physics
GA EJ9XP
UT WOS:000393580900012
ER
PT J
AU Song, JH
Zhu, CZ
Xu, BZ
Fu, SF
Engelhard, MH
Ye, RF
Du, D
Beckman, SP
Lin, YH
AF Song, Junhua
Zhu, Chengzhou
Xu, Bo Z.
Fu, Shaofang
Engelhard, Mark H.
Ye, Ranfeng
Du, Dan
Beckman, Scott P.
Lin, Yuehe
TI Bimetallic Cobalt-Based Phosphide Zeolitic Imidazolate Framework: CoPx
Phase-Dependent Electrical Conductivity and Hydrogen Atom Adsorption
Energy for Efficient Overall Water Splitting
SO ADVANCED ENERGY MATERIALS
LA English
DT Article
DE bimetallic phosphides; electrical conductivity; hydrogen adsorption;
water splitting; zeolitic imidazolate frameworks
ID METAL-ORGANIC FRAMEWORKS; ACTIVE EDGE SITES; OXYGEN REDUCTION REACTION;
EVOLUTION REACTION; HIGH-PERFORMANCE; MOLYBDENUM-CARBIDE; BIFUNCTIONAL
ELECTROCATALYSTS; ABSORPTION-SPECTROSCOPY; HIGHLY EFFICIENT; NANOWIRE
ARRAYS
AB Cobalt-based bimetallic phosphide encapsulated in carbonized zeolitic imadazolate frameworks has been successfully synthesized and showed excellent activities toward both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). Density functional theory calculation and electrochemical measurements reveal that the electrical conductivity and electrochemical activity are closely associated with the Co2P/CoP mixed phase behaviors upon Cu metal doping. This relationship is found to be the decisive factor for enhanced electrocatalytic performance. Moreover, the precise control of Cu content in Co-host lattice effectively alters the Gibbs free energy for H* adsorption, which is favorable for facilitating reaction kinetics. Impressively, an optimized performance has been achieved with mild Cu doping in Cu0.3Co2.7P/nitrogen-doped carbon (NC) which exhibits an ultralow overpotential of 0.19 V at 10 mA cm(-2) and satisfying stability for OER. Cu0.3Co2.7P/NC also shows excellent HER activity, affording a current density of 10 mA cm(-2) at a low overpotential of 0.22 V. In addition, a homemade electrolyzer with Cu0.3Co2.7P/NC paired electrodes shows 60% larger current density than Pt/RuO2 couple at 1.74 V, along with negligible catalytic deactivation after 50 h operation. The manipulation of electronic structure by controlled incorporation of second metal sheds light on understanding and synthesizing bimetallic transition metal phosphides for electrolysis-based energy conversion.
C1 [Song, Junhua; Zhu, Chengzhou; Xu, Bo Z.; Fu, Shaofang; Ye, Ranfeng; Du, Dan; Beckman, Scott P.; Lin, Yuehe] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA.
[Engelhard, Mark H.; Lin, Yuehe] Pacific Northwest Natl Lab, Richland, WA 99352 USA.
RP Lin, YH (reprint author), Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA.; Lin, YH (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA.
EM Yuehe.lin@wsu.edu
RI FU, SHAOFANG/D-2328-2016
OI FU, SHAOFANG/0000-0002-7871-6573
FU Washington State University; Department of Energy's Office of Biological
and Environmental Research; DOE [DE-AC05-76RL01830]
FX J.S. and C.Z. contributed equally to this work. This work was supported
by a start-up grant from Washington State University. The authors thank
Franceschi Microscopy & Image Center at Washington State University for
TEM measurements. The XPS analysis was performed using Environmental
Molecular Sciences Laboratory (EMSL), a national scientific user
facility sponsored by the Department of Energy's Office of Biological
and Environmental Research and located at Pacific Northwest National
Laboratory (PNNL). PNNL is a multiprogram national laboratory operated
for DOE by Battelle under Contract DE-AC05-76RL01830. The word
"normalized" was added at the beginning of the caption of figure 4d on
January 25, 2017.
NR 53
TC 1
Z9 1
U1 107
U2 107
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 1614-6832
EI 1614-6840
J9 ADV ENERGY MATER
JI Adv. Energy Mater.
PD JAN
PY 2017
VL 7
IS 2
AR 1601555
DI 10.1002/aenm.201601555
PG 9
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary; Physics, Applied; Physics, Condensed Matter
SC Chemistry; Energy & Fuels; Materials Science; Physics
GA EJ9XP
UT WOS:000393580900017
ER
PT J
AU Yoon, G
Kim, H
Park, I
Kang, K
AF Yoon, Gabin
Kim, Haegyeom
Park, Inchul
Kang, Kisuk
TI Conditions for Reversible Na Intercalation in Graphite: Theoretical
Studies on the Interplay Among Guest Ions, Solvent, and Graphite Host
SO ADVANCED ENERGY MATERIALS
LA English
DT Article
DE cointercalation; graphite intercalation compounds; first-principles
calculations; Na-ion batteries
ID LITHIUM-ION; PROPYLENE CARBONATE; BATTERIES; ELECTRODE; LI; SIMULATION;
BEHAVIOR; STORAGE; GLYMES
AB Graphite is the most widely used anode material for Li-ion batteries and is also considered a promising anode for K-ion batteries. However, Na+, a similar alkali ion to Li+ or K+, is incapable of being intercalated into graphite and thus, graphite is not considered a potential electrode for Na-ion batteries. This atypical behavior of Na has drawn considerable attention; however, a clear explanation of its origin has not yet been provided. Herein, through a systematic investigation of alkali metal graphite intercalation compounds (AM-GICs, AM = Li, Na, K, Rb, Cs) in various solvent environments, it is demonstrated that the unfavorable local Na-graphene interaction primarily leads to the instability of Na-GIC formation but can be effectively modulated by screening Na ions with solvent molecules. Moreover, it is shown that the reversible Na intercalation into graphite is possible only for specific conditions of electrolytes with respect to the Na-solvent solvation energy and the lowest unoccupied molecular orbital level of the complexes. It is believed that these conditions are applicable to other electrochemical systems involving guest ions and an intercalation host and hint at a general strategy to tailor the electrochemical intercalation between pure guest ion intercalation and cointercalation.
C1 [Yoon, Gabin; Kim, Haegyeom; Park, Inchul; Kang, Kisuk] Seoul Natl Univ, Dept Mat Sci & Engn, Res Inst Adv Mat, 1 Gwanak Ro, Seoul 151742, South Korea.
[Yoon, Gabin; Park, Inchul; Kang, Kisuk] Seoul Natl Univ, Ctr Nanoparticle Res, Inst Basic Sci, 1 Gwanak Ro, Seoul 151742, South Korea.
[Kim, Haegyeom] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Kang, K (reprint author), Seoul Natl Univ, Dept Mat Sci & Engn, Res Inst Adv Mat, 1 Gwanak Ro, Seoul 151742, South Korea.; Kang, K (reprint author), Seoul Natl Univ, Ctr Nanoparticle Res, Inst Basic Sci, 1 Gwanak Ro, Seoul 151742, South Korea.
EM matlgen1@snu.ac.kr
FU Korea Institute of Energy Technology Evaluation and Planning (KETEP);
Ministry of Trade, Industry & Energy (MOTIE) of the Republic of Korea
[20158510050040]
FX This work was supported by the Korea Institute of Energy Technology
Evaluation and Planning (KETEP) and the Ministry of Trade, Industry &
Energy (MOTIE) of the Republic of Korea (Grant No. 20158510050040).
NR 46
TC 0
Z9 0
U1 16
U2 16
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 1614-6832
EI 1614-6840
J9 ADV ENERGY MATER
JI Adv. Energy Mater.
PD JAN
PY 2017
VL 7
IS 2
AR 1601519
DI 10.1002/aenm.201601519
PG 9
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary; Physics, Applied; Physics, Condensed Matter
SC Chemistry; Energy & Fuels; Materials Science; Physics
GA EJ9XP
UT WOS:000393580900015
ER
PT J
AU Zhou, C
Zhang, GC
Zhong, CM
Jia, XE
Luo, P
Xu, RG
Gao, K
Jiang, XF
Liu, F
Russell, TP
Huang, F
Cao, Y
AF Zhou, Cheng
Zhang, Guichuan
Zhong, Chengmei
Jia, Xiaoe
Luo, Peng
Xu, Rongguo
Gao, Ke
Jiang, Xiaofang
Liu, Feng
Russell, Thomas P.
Huang, Fei
Cao, Yong
TI Toward High Efficiency Polymer Solar Cells: Influence of Local Chemical
Environment and Morphology
SO ADVANCED ENERGY MATERIALS
LA English
DT Article
ID OPEN-CIRCUIT VOLTAGE; DONOR-ACCEPTOR HETEROJUNCTIONS; FIELD-EFFECT
TRANSISTORS; LOW BANDGAP POLYMER; CONJUGATED POLYMERS; SIDE-CHAIN;
PHOTOVOLTAIC PROPERTIES; ORGANIC PHOTOVOLTAICS; SIGNIFICANT IMPACT; GAP
POLYMERS
AB The chemical structure of conjugated polymers plays an important role in determining their physical properties that, in turn, dictates their performance in photovoltaic devices. 5-Fluoro-2,1,3-benzothiadiazole, an asymmetric unit, is incorporated into a thiophene-based polymer backbone to generate a hole conducting polymers with controlled regioregularity. A high dipole moment is seen in regioregular polymers, which have a tighter interchain stacking that promotes the formation of a morphology in bulk heterojunction blends with improved power conversion efficiencies. Aliphatic side chain substitution is systematically varied to understand the influence of side chain length and symmetry on the morphology and resultant performance. This side chain modification is found to influence crystal orientation and the phase separated morphology. Using the asymmetric side chain substitution with regioregularity of the main chain, an optimized power conversion efficiency of 9.06% is achieved, with an open circuit voltage of 0.72 V, a short circuit current of 19.63 mA cm(-2), and a fill factor over 65%. These results demonstrate that the local chemical environment can dramatically influence the physical properties of the resultant material.
C1 [Zhou, Cheng; Zhang, Guichuan; Zhong, Chengmei; Jia, Xiaoe; Luo, Peng; Xu, Rongguo; Gao, Ke; Jiang, Xiaofang; Huang, Fei; Cao, Yong] South China Univ Technol, State Key Lab Luminescent Mat & Devices, Inst Polymer Optoelect Mat & Devices, Guangzhou 510640, Guangdong, Peoples R China.
[Liu, Feng] Shanghai Jiao Tong Univ, Dept Phys & Astron, Shanghai 200240, Peoples R China.
[Liu, Feng; Russell, Thomas P.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Russell, Thomas P.] Univ Massachusetts, Polymer Sci & Engn Dept, Amherst, MA 01003 USA.
RP Huang, F (reprint author), South China Univ Technol, State Key Lab Luminescent Mat & Devices, Inst Polymer Optoelect Mat & Devices, Guangzhou 510640, Guangdong, Peoples R China.; Liu, F (reprint author), Shanghai Jiao Tong Univ, Dept Phys & Astron, Shanghai 200240, Peoples R China.; Liu, F; Russell, TP (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.; Russell, TP (reprint author), Univ Massachusetts, Polymer Sci & Engn Dept, Amherst, MA 01003 USA.
EM fengliu82@sjtu.edu.cn; russell@mail.pse.umass.edu; msfhuang@scut.edu.cn
RI Liu, Feng/J-4361-2014
OI Liu, Feng/0000-0002-5572-8512
FU Ministry of Science and Technology [2014CB643501]; Natural Science
Foundation of China [51521002, 21520102006, 21490573, 21125419];
Guangdong Natural Science Foundation [S2012030006232]; U.S. Office of
Naval Research [N00014-15-1-2244]; DOE, Office of Science, and Office of
Basic Energy Sciences
FX C.Z. and G.Z. contributed equally to this work. This work was
financially supported by the Ministry of Science and Technology (No.
2014CB643501); the Natural Science Foundation of China (Nos. 51521002,
21520102006, 21490573, and 21125419); Guangdong Natural Science
Foundation (Grant No. S2012030006232); F.L. and T.P.R. were supported by
the U.S. Office of Naval Research under contract N00014-15-1-2244.
Portions of this research were carried out at beamline 7.3.3 and
11.0.1.2 at the Advanced Light Source, and Molecular Foundry, Lawrence
Berkeley National Laboratory, which was supported by the DOE, Office of
Science, and Office of Basic Energy Sciences.
NR 72
TC 0
Z9 0
U1 18
U2 18
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 1614-6832
EI 1614-6840
J9 ADV ENERGY MATER
JI Adv. Energy Mater.
PD JAN
PY 2017
VL 7
IS 1
AR 1601081
DI 10.1002/aenm.201601081
PG 10
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary; Physics, Applied; Physics, Condensed Matter
SC Chemistry; Energy & Fuels; Materials Science; Physics
GA EJ9YO
UT WOS:000393583600017
ER
PT J
AU Martin, RM
Moseman-Valtierra, S
AF Martin, Rose M.
Moseman-Valtierra, Serena
TI Plant manipulations and diel cycle measurements test drivers of carbon
dioxide and methane fluxes in a Phragmites australis-invaded coastal
marsh
SO AQUATIC BOTANY
LA English
DT Article
DE Carbon dioxide; Methane; Phragmites australis; Salt marsh; Cavity
ringdown spectroscopy; Diel patterns
ID SALT-MARSH; SPARTINA-ALTERNIFLORA; NEW-ENGLAND; NATURAL-WATERS;
NEW-JERSEY; EMISSIONS; SALINITY; WETLANDS; TRANSPORT; GASES
AB Invasion of coastal marshes by Phragmites australis may alter carbon cycling, including fluxes of the greenhouse gases (GHGs) carbon dioxide (CO2) and methane (CH4). Understanding patterns and drivers of these GHG fluxes in P. australis-invaded coastal marshes is critical to predicting how this widespread biological invasion may impact carbon (C) sequestration in coastal marshes. The objectives of this study were (1) to test effects of P. australis aboveground vegetation removal on GHG fluxes over short timescales (up to 4 months) and (2) to contrast diel patterns of GHG fluxes in P. australis-vegetated and cleared plots. First, effects of mechanical aboveground P. australis biomass removal on GHG fluxes and soil variables were tested over a series of short-term durations (from min to months). Next, on 3 dates, GHG fluxes were measured every 3 h over complete diel cycles. Net daytime CO2 uptake (-60 to 100 mu mol m(-2) s(-1)) was observed where P. australis was left intact. All durations of vegetation removal produced similar CO2 emissions to those measured from intact P. australis plots during evening hours. CH4 fluxes did not differ where P. australis was removed or left intact. Greater daytime CH4 emissions (75-100 mu mol m(-2) h(-1)) were found than at night (20-40 mu mol m(-2) h(-1)) from both cleared and vegetated plots. Results of this study suggest that CO2 fluxes in this system vary primarily due to substantial photosynthetic uptake by P. australis, and that CH4 emissions are likely driven by abiotic factors, such as temperature, that vary on diel cycles. Calculation of net GHG fluxes in this P. australis-invaded coastal marsh indicates that it is a GHG sink during the growing season. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Martin, Rose M.; Moseman-Valtierra, Serena] Univ Rhode Isl, Dept Biol Sci, 120 Flagg Rd, Kingston, RI 02881 USA.
RP Martin, RM (reprint author), ORISE, EPA Atlantic Ecol Div, 27 Tarzwell Dr, Narragansett, RI 02882 USA.
EM rose.m.martin.31@gmail.com
FU USDA National Institute of Food and Agriculture [229286]; National
Science Foundation EPSCoR [EPS-1004057]
FX This work was supported by the USDA National Institute of Food and
Agriculture (Hatch project #229286, grant to Moseman-Valtierra) and the
National Science Foundation EPSCoR Coperative Agreement (#EPS-1004057,
graduate research fellowship to Martin). We thank I. Armitstead, L.
Brannon, I. China, S. Doman, S. Kelley, T. Moebus, and A. Moen for field
support, and especially J. Friedman and R. Quinn for assistance with
24-h sampling days. We are grateful to C. Wigand and to two anonymous
reviewers for their helpful comments on this manuscript, and to C.
Martin for assistance with R code for expediting gas flux calculations.
NR 40
TC 0
Z9 0
U1 8
U2 8
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0304-3770
EI 1879-1522
J9 AQUAT BOT
JI Aquat. Bot.
PD JAN
PY 2017
VL 137
BP 16
EP 23
DI 10.1016/j.aquabot.2016.11.003
PG 8
WC Plant Sciences; Marine & Freshwater Biology
SC Plant Sciences; Marine & Freshwater Biology
GA EI8WC
UT WOS:000392787900003
ER
PT J
AU Tsivion, E
Veccham, SP
Head-Gordon, M
AF Tsivion, Ehud
Veccham, Srimukh Prasad
Head-Gordon, Martin
TI High-Temperature Hydrogen Storage of Multiple Molecules: Theoretical
Insights from Metalated Catechols
SO CHEMPHYSCHEM
LA English
DT Article
DE adsorption; density functional theory; hydrogen storage; materials
science; metal-organic frameworks
ID ORGANIC FRAMEWORK UIO-66; H-2 BINDING; FUNCTIONALIZATION; STABILITY;
LINKERS
AB Insertion of open metal sites (OMS) into metal-organic frameworks (MOFs) is a promising strategy for preparation of physical adsorbents that enable H-2 storage at room temperature. Density functional theory (DFT) calculations are reported on a promising paradigm for adsorption of multiple hydrogen molecules to a single OMS attached to an MOF linker via a catechol or thiocatechol. The interactions between adsorbed H-2 and the OMS are characterized with special attention to their degrees of freedom and thermal properties. By combining the present calculations with experimental data, some of these materials are predicted to have usable capacities close to the Department of Energy (DOE) 2020 target of 40grL(-1) marking them as important synthetic targets. Surprisingly, calculations suggest that a Ca-catechol OMS retains the ability to bind up to two hydrogens even in the presence of residual solvent.
C1 [Tsivion, Ehud; Veccham, Srimukh Prasad; Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Tsivion, Ehud] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Head-Gordon, Martin] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Head-Gordon, M (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Head-Gordon, M (reprint author), Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
EM mhg@cchem.berkeley.edu
OI Family Name Deactivated, Given Names Deactivated/0000-0002-5348-637X
FU U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy, Fuel Cell Technologies Office [DE-AC02-05CH11231]
FX The authors gratefully acknowledge research support from the U.S.
Department of Energy, Office of Energy Efficiency and Renewable Energy,
Fuel Cell Technologies Office, under Contract No. DE-AC02-05CH11231.
NR 27
TC 0
Z9 0
U1 4
U2 4
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 1439-4235
EI 1439-7641
J9 CHEMPHYSCHEM
JI ChemPhysChem
PD JAN
PY 2017
VL 18
IS 2
BP 184
EP 188
DI 10.1002/cphc.201601215
PG 5
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA EJ4KP
UT WOS:000393186100003
PM 27860151
ER
PT J
AU Baruzzini, ML
Hall, HL
Watrous, MG
Spencer, KJ
Stanley, FE
AF Baruzzini, Matthew L.
Hall, Howard L.
Watrous, Matthew G.
Spencer, Khalil J.
Stanley, Floyd E.
TI Enhanced ionization efficiency in TIMS analyses of plutonium and
americium using porous ion emitters
SO INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
LA English
DT Article
DE Thermal ionization mass spectrometry (TIMS); Porous ion emitter (PIE);
Ionization efficiency; Americium; Plutonium; Nuclear forensics
AB Investigations of enhanced sample utilization in thermal ionization mass spectrometry (TIMS) using porous ion emitter (PIE) techniques for the analyses of trace quantities of americium and plutonium were performed. Repeat ionization efficiency (i.e., the ratio of ions detected to atoms loaded on the filament) measurements were conducted on sample sizes ranging from 10-100 pg for americium and 1-100 pg for plutonium using PIE and traditional (i.e., a single, zone-refined rhenium, flat filament ribbon with a carbon ionization enhancer)TIMS filament sources. When compared to traditional filaments, PIEs exhibited an average boost in ionization efficiency of similar to 550% for plutonium and similar to 1100% for americium. A maximum average efficiency of 1.09% was observed at a 1 pg plutonium sample loading using PIEs. Supplementary trials were conducted using newly developed platinum PIEs to analyze 10 pg mass loadings of plutonium. Platinum PIEs exhibited an additional similar to 134% boost in ion yield over standard PIEs and similar to 736% over traditional filaments at the same sample loading level. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Baruzzini, Matthew L.; Spencer, Khalil J.; Stanley, Floyd E.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Baruzzini, Matthew L.; Hall, Howard L.] Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA.
[Watrous, Matthew G.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Baruzzini, ML (reprint author), Los Alamos Natl Lab, POB 1663,MS B228, Los Alamos, NM 87544 USA.
EM mbaruzzini@lanl.gov
FU U.S. Department of Homeland Security [2012-DN-130-NF0001-02]; U.S.
Department of Energy/National Nuclear Security Administration Office of
Nonproliferation and Verification Research and Development; U.S.
Department of Energy through the LANL/LDRD Program
FX The authors gratefully acknowledge the support of the U.S. Department of
Homeland Security under Grant Award Number, 2012-DN-130-NF0001-02. The
views and conclusions cohtained in this document are those of the
authors and should not be interpreted as necessarily representing the
official policies, either expressed or implied, of the U.S. Department
of Homeland Security. The authors would also to express their gratitude
for the support provided by the U.S. Department of Energy/National
Nuclear Security Administration Office of Nonproliferation and
Verification Research and Development and the U.S. Department of Energy
through the LANL/LDRD Program. This document has been reviewed and
approved for release under LA-UR-16-26867.
NR 12
TC 0
Z9 0
U1 3
U2 3
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1387-3806
EI 1873-2798
J9 INT J MASS SPECTROM
JI Int. J. Mass Spectrom.
PD JAN
PY 2017
VL 412
BP 8
EP 13
DI 10.1016/j.ijms.2016.11.013
PG 6
WC Physics, Atomic, Molecular & Chemical; Spectroscopy
SC Physics; Spectroscopy
GA EJ0LV
UT WOS:000392901300002
ER
PT J
AU Chen, JCH
Unkefer, CJ
AF Chen, Julian C. -H.
Unkefer, Clifford J.
TI Fifteen years of the Protein Crystallography Station: the coming of age
of macromolecular neutron crystallography
SO IUCRJ
LA English
DT Article
DE neutron crystallography; Protein Crystallography Station; Los Alamos
Neutron Scattering Center; H atoms; enzyme mechanisms
ID D-XYLOSE ISOMERASE; X-RAY-DIFFRACTION; III ANTIFREEZE PROTEIN;
CARBONIC-ANHYDRASE II; DIISOPROPYL FLUOROPHOSPHATASE DFPASE;
HYDROGEN-BONDING GEOMETRIES; HIGH-RESOLUTION NEUTRON; JOINT NEUTRON;
SOLVENT STRUCTURE; PROTONATION STATES
AB The Protein Crystallography Station (PCS), located at the Los Alamos Neutron Scattering Center (LANSCE), was the first macromolecular crystallography beamline to be built at a spallation neutron source. Following testing and commissioning, the PCS user program was funded by the Biology and Environmental Research program of the Department of Energy Office of Science (DOE-OBER) for 13 years (2002-2014). The PCS remained the only dedicated macromolecular neutron crystallography station in North America until the construction and commissioning of the MaNDi and IMAGINE instruments at Oak Ridge National Laboratory, which started in 2012. The instrument produced a number of research and technical outcomes that have contributed to the field, clearly demonstrating the power of neutron crystallography in helping scientists to understand enzyme reaction mechanisms, hydrogen bonding and visualization of H-atom positions, which are critical to nearly all chemical reactions. During this period, neutron crystallography became a technique that increasingly gained traction, and became more integrated into macromolecular crystallography through software developments led by investigators at the PCS. This review highlights the contributions of the PCS to macromolecular neutron crystallography, and gives an overview of the history of neutron crystallography and the development of macromolecular neutron crystallography from the 1960s to the 1990s and onwards through the 2000s.
C1 [Chen, Julian C. -H.; Unkefer, Clifford J.] Los Alamos Natl Lab, Prot Crystallog Stn, Biosci Div, Los Alamos, NM 87545 USA.
[Chen, Julian C. -H.] Univ Toledo, Dept Chem & Biochem, Toledo, OH 43606 USA.
RP Chen, JCH (reprint author), Los Alamos Natl Lab, Prot Crystallog Stn, Biosci Div, Los Alamos, NM 87545 USA.; Chen, JCH (reprint author), Univ Toledo, Dept Chem & Biochem, Toledo, OH 43606 USA.
EM chen_j@lanl.gov
FU Department of Energy Office of Science (DOE-OBER)
FX The authors thank Virginia Unkefer for editing, and the designers,
instrument scientists and technical and support staff, past and present,
including Benno Schoenborn, Paul Langan, Zoe Fisher, Andrey Kovalevsky,
Marat Mustyakimov, Leighton Coates, John-Paul Bacik, Javier Gonzalez,
Oksana Gerlits, Gayle Greene, Mary Jo Waltman, Kelly Knickerbocker,
Melvin Borrego and Jason Gochanour. We thank Professor John Helliwell
for his insightful comments. The PCS user program was funded by the
Department of Energy Office of Science (DOE-OBER).
NR 99
TC 0
Z9 0
U1 3
U2 3
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 2052-2525
J9 IUCRJ
JI IUCrJ
PD JAN
PY 2017
VL 4
BP 72
EP 86
DI 10.1107/S205225251601664X
PN 1
PG 15
WC Chemistry, Multidisciplinary; Crystallography; Materials Science,
Multidisciplinary
SC Chemistry; Crystallography; Materials Science
GA EJ0UK
UT WOS:000392925800009
PM 28250943
ER
PT J
AU Kroon-Batenburg, LMJ
Helliwell, JR
McMahon, B
Terwilliger, TC
AF Kroon-Batenburg, Loes M. J.
Helliwell, John R.
McMahon, Brian
Terwilliger, Thomas C.
TI Raw diffraction data preservation and reuse: overview, update on
practicalities and metadata requirements
SO IUCRJ
LA English
DT Review
DE raw diffraction data; data archiving; metadata descriptors for raw data;
diversity of crystallographic instrumentation
ID STRUCTURAL BIOLOGY; CAUTIONARY-TALE; ALWAYS-GO; CRYSTALLOGRAPHY;
CISPLATIN; FORMAT; PUBLICATION; CARBOPLATIN; EXPERIENCES; DEPOSITION
AB A topical review is presented of the rapidly developing interest in and storage options for the preservation and reuse of raw data within the scientific domain of the IUCr and its Commissions, each of which operates within a great diversity of instrumentation. A resume is included of the case for raw diffraction data deposition. An overall context is set by highlighting the initiatives of science policy makers towards an 'Open Science' model within which crystallographers will increasingly work in the future; this will bring new funding opportunities but also new codes of procedure within open science frameworks. Skills education and training for crystallographers will need to be expanded. Overall, there are now the means and the organization for the preservation of raw crystallographic diffraction data via different types of archive, such as at universities, disciplinespecific repositories (Integrated Resource for Reproducibility in Macromolecular Crystallography, Structural Biology Data Grid), general public data repositories (Zenodo, ResearchGate) and centralized neutron and X-ray facilities. Formulation of improved metadata descriptors for the raw data types of each of the IUCr Commissions is in progress; some detailed examples are provided. A number of specific case studies are presented, including an example research thread that provides complete open access to raw data.
C1 [Kroon-Batenburg, Loes M. J.] Univ Utrecht, Bijvoet Ctr Biomol Res, Crystal & Struct Chem, Padualaan 8, NL-3584 CH Utrecht, Netherlands.
[Helliwell, John R.] Univ Manchester, Fac Engn & Phys Sci, Sch Chem, Brunswick St, Manchester M13 9PL, Lancs, England.
[McMahon, Brian] Int Union Crystallog, 5 Abbey Sq, Chester CH1 2HU, Cheshire, England.
[Terwilliger, Thomas C.] Los Alamos Natl Lab, Biosci Div, Mail Stop M888, Los Alamos, NM 87507 USA.
RP Helliwell, JR (reprint author), Univ Manchester, Fac Engn & Phys Sci, Sch Chem, Brunswick St, Manchester M13 9PL, Lancs, England.
EM john.helliwell@manchester.ac.uk
OI McMahon, Brian/0000-0003-0391-0002
NR 49
TC 2
Z9 2
U1 2
U2 2
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 2052-2525
J9 IUCRJ
JI IUCrJ
PD JAN
PY 2017
VL 4
BP 87
EP 99
DI 10.1107/S2052252516018315
PN 1
PG 13
WC Chemistry, Multidisciplinary; Crystallography; Materials Science,
Multidisciplinary
SC Chemistry; Crystallography; Materials Science
GA EJ0UK
UT WOS:000392925800010
PM 28250944
ER
PT J
AU Dettmer, A
Ball, R
Boving, TB
Khan, NA
Schaub, T
Sudasinghe, N
Fernandez, CA
Carroll, KC
AF Dettmer, Adam
Ball, Raymond
Boving, Thomas B.
Khan, Naima A.
Schaub, Tanner
Sudasinghe, Nilusha
Fernandez, Carlos A.
Carroll, Kenneth C.
TI Stabilization and prolonged reactivity of aqueous-phase ozone with
cyclodextrin
SO JOURNAL OF CONTAMINANT HYDROLOGY
LA English
DT Article
DE Cyclodextrin; Ozone; Advanced oxidation; In-situ chemical oxidation;
ISCO; Groundwater remediation, clathrate
ID DISSOCIATING ORGANIC-COMPOUNDS; MODIFIED FENTON REACTION; ENHANCED
SOLUBILIZATION; INORGANIC-COMPOUNDS; RATE CONSTANTS; HYDROGEN-PEROXIDE;
HEAVY-METALS; REMEDIATION; OXIDATION; COMPLEXATION
AB Recalcitrant organic groundwater contaminants, such as 1,4-dioxane, may require strong oxidants for complete mineralization. However, their efficacy for in-situ chemical oxidation (ISCO) is limited by oxidant decay and reactivity. Hydroxypropyl-beta-cydodextrin (HP beta CD) was examined for its ability to stabilize aqueous-phase ozone (O-3) and prolong oxidation potential through inclusion complex formation. Partial transformation of HP beta CD by O-3 was observed. However, HP beta CD proved to be sufficiently recalcitrant, because it was only partially degraded in the presence of O-3. The formation of a HP beta CD:O-3 clathrate complex was observed, which stabilized decay of O-3. The presence of HI13CD increased the O-3 half-life linearly with increasing HP beta CD: O-3 molar ratio. The O-3 halflife in solutions increased by as much as 40-fold relative to HP beta CD-free O-3 Solutions. Observed O-3 release from HP beta CD and indigo oxidation confirmed that the formation of the inclusion complex is reversible. This proof-of concept study demonstrates that HP beta CD can complex O-3 while preserving its reactivity. These results suggest that the use of clathrate stabilizers, such as HP beta CD, can support the development of a facilitated-transport enabled ISCO for the O-3 treatment of groundwater contaminated with recalcitrant compounds. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Dettmer, Adam; Khan, Naima A.; Schaub, Tanner; Sudasinghe, Nilusha; Carroll, Kenneth C.] New Mexico State Univ, MSC 3Q,POB 30003, Las Cruces, NM 88003 USA.
[Ball, Raymond] Enchem Engn Inc, 151 Calif St, Newton, MA 02458 USA.
[Boving, Thomas B.] Univ Rhode Isl, Kingston, RI 02881 USA.
[Fernandez, Carlos A.] Pacific Northwest Natl Lab, Richland, WA 99354 USA.
RP Carroll, KC (reprint author), New Mexico State Univ, MSC 3Q,POB 30003, Las Cruces, NM 88003 USA.
EM kccarr@nmsu.edu
RI Carroll, Kenneth/H-5160-2011
OI Carroll, Kenneth/0000-0003-2097-9589
FU US Department of Defense Strategic Environmental Research and
Development Program (SERDP) Project [ER-2302]; USDA National Institute
of Food and Agriculture [1006845]; U.S. Air Force Civil Engineer Center
(AFCEC) Project [FA8903-11-C-8004]; United States National Science
Foundation [IIA-1301346]; Center for Animal Health and Food Safety;
Plant & Environmental Science Department at NMSU
FX This research was primarily supported by the US Department of Defense
Strategic Environmental Research and Development Program (SERDP) Project
ER-2302. Additional support from USDA National Institute of Food and
Agriculture (Hatch project 1006845), the U.S. Air Force Civil Engineer
Center (AFCEC) Project FA8903-11-C-8004, the United States National
Science Foundation (IIA-1301346), the Center for Animal Health and Food
Safety, and the Plant & Environmental Science Department at NMSU is
appreciated. EnChem Engineering, Inc.'s patent was utilized herein (US
Patent 8,049,056). We also appreciate the support of Omar Holguin, Barry
Dungan, Alan Moore, Barbara Hunter, Sativa Cruz, April Ulery, Michael
Johnson, Mark Brusseau, and members of the Carroll Lab.
NR 47
TC 0
Z9 0
U1 8
U2 8
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0169-7722
EI 1873-6009
J9 J CONTAM HYDROL
JI J. Contam. Hydrol.
PD JAN
PY 2017
VL 196
BP 1
EP 9
DI 10.1016/j.jconhyd.2016.11.003
PG 9
WC Environmental Sciences; Geosciences, Multidisciplinary; Water Resources
SC Environmental Sciences & Ecology; Geology; Water Resources
GA EJ0LL
UT WOS:000392900100001
PM 27993469
ER
PT J
AU Crago, CL
Chernyakhovskiy, I
AF Crago, Christine Lasco
Chernyakhovskiy, Ilya
TI Are policy incentives for solar power effective? Evidence from
residential installations in the Northeast
SO JOURNAL OF ENVIRONMENTAL ECONOMICS AND MANAGEMENT
LA English
DT Article
DE Solar PV; Renewable energy policies; Incentives for solar PV
ID UNITED-STATES; ELECTRICITY; ADOPTION; CONSERVATION; TECHNOLOGY;
DIFFUSION; IDEOLOGY; IMPACT; GREEN; RATES
AB State incentives for solar power have grown significantly in the past several years. This paper examines the effectiveness of policy incentives to increase residential solar photovoltaic (PV) capacity. We use county-level panel data and control for demographic characteristics, solar resources, and pro-environmental preferences. Results show that among financial incentives, rebates have the most impact with an additional $1 per watt rebate increasing annual PV capacity additions by close to 50%. Factors that affect financial returns to solar PV such as electricity price and solar insolation are also found to be significant. Results also point to a significant positive relationship between hybrid vehicle sales and residential PV capacity growth, indicating the importance of pro-environmental preferences as a predictor of solar PV demand. Back of the envelope calculations suggest that the cost of carbon mitigation through rebates is around $184 per ton of CO2. (C) 2016 Elsevier Inc. All rights reserved.
C1 [Crago, Christine Lasco] Univ Massachusetts Amherst, Dept Resource Econ, 216 Stockbridge Hall,80 Campus Ctr Way, Amherst, MA 01003 USA.
[Chernyakhovskiy, Ilya] Natl Renewable Energy Lab, 15013 Denver W Pkwy, Golden, CO 80401 USA.
RP Crago, CL (reprint author), Univ Massachusetts Amherst, Dept Resource Econ, 216 Stockbridge Hall,80 Campus Ctr Way, Amherst, MA 01003 USA.
EM ccrago@resecon.umass.edu
NR 48
TC 0
Z9 0
U1 8
U2 8
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0095-0696
EI 1096-0449
J9 J ENVIRON ECON MANAG
JI J.Environ.Econ.Manage.
PD JAN
PY 2017
VL 81
BP 132
EP 151
DI 10.1016/j.jeem.2016.09.008
PG 20
WC Business; Economics; Environmental Studies
SC Business & Economics; Environmental Sciences & Ecology
GA EJ2AP
UT WOS:000393012400008
ER
PT J
AU Xi, ML
Lu, DA
Gui, DW
Qi, ZM
Zhang, GN
AF Xi, Maolong
Lu, Dan
Gui, Dongwei
Qi, Zhiming
Zhang, Guannan
TI Calibration of an agricultural-hydrological model (RZWQM2) using
surrogate global optimization
SO JOURNAL OF HYDROLOGY
LA English
DT Article
DE RZWQM2; Sparse grid; Surrogate model; QPSO algorithm; Global
optimization
ID PARTICLE SWARM OPTIMIZATION; STOCHASTIC COLLOCATION METHOD; DIMENSIONAL
DISCONTINUITY DETECTION; PARTIAL-DIFFERENTIAL-EQUATIONS; FIELD-MEASURED
DATA; RANDOM INPUT DATA; MULTIOBJECTIVE DESIGN; SENSITIVITY-ANALYSIS;
HETEROGENEOUS MEDIA; SUBSURFACE DRAINAGE
AB Robust calibration of an agricultural-hydrological model is critical for simulating crop yield and water quality and making reasonable agricultural management. However, calibration of the agricultural-hydrological system models is challenging because of model complexity, the existence of strong parameter correlation, and significant computational requirements. Therefore, only a limited number of simulations can be allowed in any attempt to find a near-optimal solution within an affordable time, which greatly restricts the successful application of the model. The goal of this study is to locate the optimal solution of the Root Zone Water Quality Model (RZWQM2) given a limited simulation time, so as to improve the model simulation and help make rational and effective agricultural-hydrological decisions. To this end, we propose a computationally efficient global optimization procedure using sparse-grid based surrogates. We first used advanced sparse grid (SG) interpolation to construct a surrogate system of the actual RZWQM2, and then we calibrate the surrogate model using the global optimization algorithm, Quantum-behaved Particle Swarm Optimization (QPSO). As the surrogate model is a polynomial with fast evaluation, it can be efficiently evaluated with a sufficiently large number of times during the optimization, which facilitates the global search. We calibrate seven model parameters against five years of yield, drain flow, and NO3-N loss data from a subsurface-drained corn-soybean field in Iowa. Results indicate that an accurate surrogate model can be created for the RZWQM2 with a relatively small number of SG points (i.e., RZWQM2 runs). Compared to the conventional QPSO algorithm, our surrogate based optimization method can achieve a smaller objective function value and better calibration performance using a fewer number of expensive RZWQM2 executions, which greatly improves computational efficiency. Published by Elsevier B.V.
C1 [Xi, Maolong] Wuxi Inst Technol, Dept Control Technol, Wuxi 214121, Jiangsu, Peoples R China.
[Lu, Dan] Oak Ridge Natl Lab, Climate Change Sci Inst, Div Math & Comp Sci, Oak Ridge, TN 37831 USA.
[Gui, Dongwei] Chinese Acad Sci, Xinjiang Inst Ecol & Geog, Cele Natl Stn Observat & Res Desert Grassland Eco, Urumqi 830011, Peoples R China.
[Qi, Zhiming] McGill Univ, Dept Bioresource Engn, Ste Anne De Bellevue, PQ H9X 3V9, Canada.
[Zhang, Guannan] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA.
RP Lu, DA (reprint author), Oak Ridge Natl Lab, Climate Change Sci Inst, Div Math & Comp Sci, Oak Ridge, TN 37831 USA.; Gui, DW (reprint author), Chinese Acad Sci, Xinjiang Inst Ecol & Geog, Cele Natl Stn Observat & Res Desert Grassland Eco, Urumqi 830011, Peoples R China.
EM lud1@ornl.gov; guidwei@163.com
OI Lu, Dan/0000-0001-5162-9843
FU National Natural Science Foundation of China [41471031, 61170119];
Natural Science Foundation for College and Universities in Jiangsu
Province [16KJB520051]; Qing Lan Project of Jiangsu; Wuxi Institute of
Technology; U.S. Department of Energy, Office of Science, Office of
Biological and Environmental Research; U.S. Defense Advanced Research
Projects Agency, Defense Sciences Office [HR0011619523]; U.S. Department
of Energy, Office of Science, Office of Advanced Scientific Computing
Research, Applied Mathematics program [ERKJ259]; U.S. National Science
Foundation, Computational Mathematics program [1620027]; U.S. Department
of Energy [DE-AC05-00OR22725]
FX The research work was supported by the National Natural Science
Foundation of China (Project Number: 41471031, 61170119), partly by
Natural Science Foundation for College and Universities in Jiangsu
Province (Project Number: 16KJB520051), as well as the Qing Lan Project
of Jiangsu and Wuxi Institute of Technology. This material is also based
upon work supported by the U.S. Department of Energy, Office of Science,
Office of Biological and Environmental Research; the U.S. Defense
Advanced Research Projects Agency, Defense Sciences Office under
contract HR0011619523; the U.S. Department of Energy, Office of Science,
Office of Advanced Scientific Computing Research, Applied Mathematics
program under contract ERKJ259; the U.S. National Science Foundation,
Computational Mathematics program under award 1620027. This paper is
partly authored by employees of the U.S. Oak Ridge National Laboratory,
managed by UT-Battelle, LLC for the U.S. Department of Energy under
contract DE-AC05-00OR22725.
NR 74
TC 0
Z9 0
U1 0
U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0022-1694
EI 1879-2707
J9 J HYDROL
JI J. Hydrol.
PD JAN
PY 2017
VL 544
BP 456
EP 466
DI 10.1016/j.jhydrol.2016.11.051
PG 11
WC Engineering, Civil; Geosciences, Multidisciplinary; Water Resources
SC Engineering; Geology; Water Resources
GA EI8OR
UT WOS:000392767000039
ER
PT J
AU Sanchez, AG
Grieb, JN
Salazar-Albornoz, S
Alam, S
Beutler, F
Ross, AJ
Brownstein, JR
Chuang, CH
Cuesta, AJ
Eisenstein, DJ
Kitaura, FS
Percival, WJ
Prada, F
Rodriguez-Torres, S
Seo, HJ
Tinker, J
Tojeiro, R
Vargas-Magana, M
Vazquez, JA
Zhao, GB
AF Sanchez, Ariel G.
Grieb, Jan Niklas
Salazar-Albornoz, Salvador
Alam, Shadab
Beutler, Florian
Ross, Ashley J.
Brownstein, Joel R.
Chuang, Chia-Hsun
Cuesta, Antonio J.
Eisenstein, Daniel J.
Kitaura, Francisco-Shu
Percival, Will J.
Prada, Francisco
Rodriguez-Torres, Sergio
Seo, Hee-Jong
Tinker, Jeremy
Tojeiro, Rita
Vargas-Magana, Mariana
Vazquez, Jose A.
Zhao, Gong-Bo
TI The clustering of galaxies in the completed SDSS-III Baryon Oscillation
Spectroscopic Survey: combining correlated Gaussian posterior
distributions
SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
LA English
DT Article
DE cosmological parameters; large-scale structure of Universe
ID REDSHIFT-SPACE DISTORTIONS; DIGITAL SKY SURVEY; FINAL DATA RELEASE;
ACOUSTIC-OSCILLATIONS; POWER-SPECTRUM; PERTURBATION-THEORY; CMASS
GALAXIES; CENT DISTANCE; SAMPLE; PEAK
AB The cosmological information contained in anisotropic galaxy clustering measurements can often be compressed into a small number of parameters whose posterior distribution is well described by a Gaussian. We present a general methodology to combine these estimates into a single set of consensus constraints that encode the total information of the individual measurements, taking into account the full covariance between the different methods. We illustrate this technique by applying it to combine the results obtained from different clustering analyses, including measurements of the signature of baryon acoustic oscillations and redshift-space distortions, based on a set of mock catalogues of the final SDSS-III Baryon Oscillation Spectroscopic Survey (BOSS). Our results show that the region of the parameter space allowed by the consensus constraints is smaller than that of the individual methods, highlighting the importance of performing multiple analyses on galaxy surveys even when the measurements are highly correlated. This paper is part of a set that analyses the final galaxy clustering data set from BOSS. The methodology presented here is used in Alam et al. to produce the final cosmological constraints from BOSS.
C1 [Sanchez, Ariel G.; Grieb, Jan Niklas; Salazar-Albornoz, Salvador] Max Planck Inst Extraterr Phys, Postfach 1312,Giessenbachstr 1, D-85741 Garching, Germany.
[Grieb, Jan Niklas; Salazar-Albornoz, Salvador] Ludwig Maximilians Univ Munchen, Univ Sternwarte Munchen, Scheinerstr 1, D-81679 Munich, Germany.
[Alam, Shadab; Vargas-Magana, Mariana] Carnegie Mellon Univ, Dept Phys, 5000 Forbes Ave, Pittsburgh, PA 15217 USA.
[Alam, Shadab; Vargas-Magana, Mariana] Carnegie Mellon Univ, McWilliams Ctr Cosmol, 5000 Forbes Ave, Pittsburgh, PA 15217 USA.
[Beutler, Florian; Ross, Ashley J.; Percival, Will J.; Zhao, Gong-Bo] Univ Portsmouth, Inst Cosmol & Gravitat, Dennis Sciama Bldg, Portsmouth PO1 3FX, Hants, England.
[Beutler, Florian; Kitaura, Francisco-Shu] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Ross, Ashley J.] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA.
[Brownstein, Joel R.; Prada, Francisco; Rodriguez-Torres, Sergio] Univ Utah, Dept Phys & Astron, 115 S 1400 E, Salt Lake City, UT 84112 USA.
[Chuang, Chia-Hsun] Univ Autonoma Madrid, Inst Fis Teor UAM CSIC, E-28049 Madrid, Spain.
[Chuang, Chia-Hsun; Kitaura, Francisco-Shu] Leibniz Inst Astrophys Potsdam AIP, Sternwarte 16, D-14482 Potsdam, Germany.
[Cuesta, Antonio J.] Univ Barcelona IEEC UB, Inst Ciencies Cosmos ICCUB, Marti & Franques 1, E-08028 Barcelona, Spain.
[Eisenstein, Daniel J.] Harvard Smithsonian Ctr Astrophys, 60 Garden St, Cambridge, MA 02138 USA.
[Kitaura, Francisco-Shu] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Kitaura, Francisco-Shu] Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA.
[Prada, Francisco; Rodriguez-Torres, Sergio] Campus Int Excellence UAM CSIC, E-28049 Madrid, Spain.
[Prada, Francisco] Inst Astrofis Andalucia CSIC, E-18080 Granada, Spain.
[Rodriguez-Torres, Sergio] Univ Autonoma Madrid, Dept Fis Teor, E-28049 Madrid, Spain.
[Seo, Hee-Jong] Ohio Univ, Dept Phys & Astron, Clippinger Labs 251B, Athens, OH 45701 USA.
[Tinker, Jeremy] NYU, Ctr Cosmol & Particle Phys, 550 1St Ave, New York, NY 10003 USA.
[Tojeiro, Rita] Univ St Andrews, Sch Phys & Astron, St Andrews KY16 9SS, Fife, Scotland.
[Vargas-Magana, Mariana] Univ Nacl Autonoma Mexico, Inst Fis, Apartado Postal 20-364, Mexico City 01000, DF, Mexico.
[Vazquez, Jose A.] Brookhaven Natl Lab, Bldg 510, Upton, NY 11973 USA.
[Zhao, Gong-Bo] Chinese Acad Sci, Natl Astron Observ, Beijing 100012, Peoples R China.
RP Sanchez, AG (reprint author), Max Planck Inst Extraterr Phys, Postfach 1312,Giessenbachstr 1, D-85741 Garching, Germany.
EM arielsan@mpe.mpg.de
FU Trans-regional Collaborative Research Centre 'The Dark Universe' of the
German Research Foundation (DFG) [TR33]; Spanish MICINNs
Consolider-Ingenio Programme [MultiDark CSD2009-00064]; MINECO Centro de
Excelencia Severo Ochoa Programme [SEV-2012-0249, AYA2014-60641-C2-1-P];
Programa de Apoyo a Proyectos de Investigacion e Innovacion Tecnologica
(PAPITT) [IA102516]; Alfred P. Sloan Foundation; National Science
Foundation; U.S. Department of Energy; University of Arizona; Brazilian
Participation Group; Brookhaven National Laboratory; University of
Cambridge; Carnegie Mellon University; University of Florida; French
Participation Group; German Participation Group; Harvard University;
Instituto de Astrofisica de Canarias; Michigan State/Notre Dame/JINA
Participation Group; Johns Hopkins University; Lawrence Berkeley
National Laboratory; Max Planck Institute for Astrophysics; Max Planck
Institute for Extraterrestrial Physics; New Mexico State University; New
York University; Ohio State University; Pennsylvania State University;
University of Portsmouth; Princeton University; Spanish Participation
Group; University of Tokyo; University of Utah; Vanderbilt University;
University of Virginia; University of Washington; Yale University; ESA
Member States; NASA
FX AGS would like to thank Ximena Mazzalay for her invaluable help in the
preparation of this manuscript. We would like to thank Riccardo Bolze,
Daniel Farrow, Jiamin Hou, Martha Lippich and Francesco Montesano for
useful discussions. AGS, JNG and SS-A acknowledge support from the
Trans-regional Collaborative Research Centre TR33 'The Dark Universe' of
the German Research Foundation (DFG). C-HC acknowledges support as a
MultiDark Fellow. C-HC also acknowledges support from the Spanish
MICINNs Consolider-Ingenio 2010 Programme under grant MultiDark
CSD2009-00064, MINECO Centro de Excelencia Severo Ochoa Programme under
grant SEV-2012-0249, and grant AYA2014-60641-C2-1-P. MV-M is partially
supported by Programa de Apoyo a Proyectos de Investigacion e Innovacion
Tecnologica (PAPITT) No IA102516.; Funding for SDSS-III has been
provided by the Alfred P. Sloan Foundation, the Participating
Institutions, the National Science Foundation and the U.S. Department of
Energy.; SDSS-III is managed by the Astrophysical Research Consortium
for the Participating Institutions of the SDSS-III Collaboration,
including the University of Arizona, the Brazilian Participation Group,
the Brookhaven National Laboratory, the University of Cambridge,
Carnegie Mellon University, the University of Florida, the French
Participation Group, the German Participation Group, Harvard University,
the Instituto de Astrofisica de Canarias, the Michigan State/Notre
Dame/JINA Participation Group, The Johns Hopkins University, the
Lawrence Berkeley National Laboratory, the Max Planck Institute for
Astrophysics, the Max Planck Institute for Extraterrestrial Physics, New
Mexico State University, New York University, Ohio State University,
Pennsylvania State University, the University of Portsmouth, Princeton
University, the Spanish Participation Group, the University of Tokyo,
the University of Utah, Vanderbilt University, the University of
Virginia, the University of Washington and Yale University.; Based on
observations obtained with Planck (http://www.esa.int/Planck), an ESA
science mission with instruments and contributions directly funded by
ESA Member States, NASA, and Canada.
NR 48
TC 0
Z9 0
U1 1
U2 1
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0035-8711
EI 1365-2966
J9 MON NOT R ASTRON SOC
JI Mon. Not. Roy. Astron. Soc.
PD JAN
PY 2017
VL 464
IS 2
BP 1493
EP 1501
DI 10.1093/mnras/stw2495
PG 9
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA EK0WF
UT WOS:000393647100019
ER
PT J
AU Sanchez, AG
Scoccimarro, R
Crocce, M
Grieb, JN
Salazar-Albornoz, S
Dalla Vecchia, C
Lippich, M
Beutler, F
Brownstein, JR
Chuang, CH
Eisenstein, DJ
Kitaura, FS
Olmstead, MD
Percival, WJ
Prada, F
Rodriguez-Torres, S
Ross, AJ
Samushia, L
Seo, HJ
Tinker, J
Tojeiro, R
Vargas-Magana, M
Wang, YT
Zhao, GB
AF Sanchez, Ariel G.
Scoccimarro, Roman
Crocce, Martin
Grieb, Jan Niklas
Salazar-Albornoz, Salvador
Dalla Vecchia, Claudio
Lippich, Martha
Beutler, Florian
Brownstein, Joel R.
Chuang, Chia-Hsun
Eisenstein, Daniel J.
Kitaura, Francisco-Shu
Olmstead, Matthew D.
Percival, Will J.
Prada, Francisco
Rodriguez-Torres, Sergio
Ross, Ashley J.
Samushia, Lado
Seo, Hee-Jong
Tinker, Jeremy
Tojeiro, Rita
Vargas-Magana, Mariana
Wang, Yuting
Zhao, Gong-Bo
TI The clustering of galaxies in the completed SDSS-III Baryon Oscillation
Spectroscopic Survey: Cosmological implications of the
configuration-space clustering wedges
SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
LA English
DT Article
DE cosmological parameters; large-scale structure of Universe
ID DIGITAL SKY SURVEY; MICROWAVE BACKGROUND ANISOTROPIES; POWER-SPECTRUM
ANALYSIS; LUMINOUS RED GALAXIES; REDSHIFT-SPACE; DATA RELEASE;
ACOUSTIC-OSCILLATIONS; DARK ENERGY; FINAL DATA; PARAMETER CONSTRAINTS
AB We explore the cosmological implications of anisotropic clustering measurements in configuration space of the final galaxy samples from Data Release 12 of the Sloan Digital Sky Survey III Baryon Oscillation Spectroscopic Survey. We implement a new detailed modelling of the effects of non-linearities, bias and redshift-space distortions that can be used to extract unbiased cosmological information from our measurements for scales s greater than or similar to 20 h(-1) Mpc. We combined the information from Baryon Oscillation Spectroscopic Survey (BOSS) with the latest cosmic microwave background (CMB) observations and Type Ia supernovae samples and found no significant evidence for a deviation from the Lambda cold dark matter (Lambda CDM) cosmological model. In particular, these data sets can constrain the dark energy equation-of-state parameter to w(DE) = -0.996 +/- 0.042 when to be assumed time independent, the curvature of the Universe to Omega(k) = -0.0007 +/- 0.0030 and the sum of the neutrino masses to Sigma m nu < 0.25 eV at 95 per cent confidence levels. We explore the constraints on the growth rate of cosmic structures assuming f(z)=Omega(m)(z)(gamma) and obtain gamma = 0.609 +/- 0.079, in good agreement with the predictions of general relativity of gamma=0.55. We compress the information of our clustering measurements into constraints on the parameter combinations D-V(z)/r(d), F-AP(z) and f sigma(8)(z) at z(eff) = 0.38, 0.51 and 0.61 with their respective covariance matrices and find good agreement with the predictions for these parameters obtained from the best-fitting Lambda CDM model to the CMB data from the Planck satellite. This paper is part of a set that analyses the final galaxy clustering data set from BOSS. The measurements and likelihoods presented here are combined with others by Alam et al. to produce the final cosmological constraints from BOSS.
C1 [Sanchez, Ariel G.; Grieb, Jan Niklas; Salazar-Albornoz, Salvador; Lippich, Martha] Max Planck Inst Extraterr Phys, Postfach 1312,Giessenbachstr, D-85741 Garching, Germany.
[Scoccimarro, Roman; Tinker, Jeremy] NYU, Dept Phys, Ctr Cosmol & Particle Phys, 4 Washington Pl, New York, NY 10003 USA.
[Crocce, Martin] CSIC, IEEC, Inst Ciencies Espai, Campus UAB,Carrer Can Magrans S-N, E-08193 Barcelona, Spain.
[Grieb, Jan Niklas; Salazar-Albornoz, Salvador; Lippich, Martha] Ludwig Maximilians Univ Munchen, Univ Sternwarte Munchen, Scheinerstr 1, D-81679 Munich, Germany.
[Dalla Vecchia, Claudio] Inst Astrofis Canarias, C Via Lactea S-N, E-38205 Tenerife, Spain.
[Dalla Vecchia, Claudio] Univ La Laguna, Dept Astrofis, Ave Astrofis Francisco Saanchez S-N, E-38206 Tenerife, Spain.
[Beutler, Florian; Percival, Will J.; Ross, Ashley J.; Samushia, Lado; Wang, Yuting; Zhao, Gong-Bo] Univ Portsmouth, Inst Cosmol & Gravitat, Dennis Sciama Bldg, Portsmouth PO1 3FX, Hants, England.
[Beutler, Florian; Kitaura, Francisco-Shu] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Brownstein, Joel R.] Univ Utah, Dept Phys & Astron, 115 S 1400 E, Salt Lake City, UT 84112 USA.
[Chuang, Chia-Hsun; Prada, Francisco; Rodriguez-Torres, Sergio] Univ Autonoma Madrid, Inst Fis Teor, CSIC, E-28049 Madrid, Spain.
[Chuang, Chia-Hsun; Kitaura, Francisco-Shu] Leibniz Inst Astrophys Potsdam, Sternwarte 16, D-14482 Potsdam, Germany.
[Eisenstein, Daniel J.] Harvard Smithsonian Ctr Astrophys, 60 Garden St, Cambridge, MA 02138 USA.
[Kitaura, Francisco-Shu] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Kitaura, Francisco-Shu] Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA.
[Olmstead, Matthew D.] Kings Coll, Dept Chem & Phys, 133 North River St, Wilkes Barre, PA 18711 USA.
[Prada, Francisco; Rodriguez-Torres, Sergio] Campus Int Excellence UAM CSIC, E-28049 Madrid, Spain.
[Prada, Francisco] CSIC, Inst Astrofis Andalucia, Glorieta Astron, E-18080 Granada, Spain.
[Rodriguez-Torres, Sergio] Univ Autonoma Madrid, Dept Fis Teor, E-28049 Madrid, Spain.
[Ross, Ashley J.] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA.
[Samushia, Lado] Kansas State Univ, Manhattan, KS 66506 USA.
[Samushia, Lado] Ilia State Univ, Natl Abastumani Astrophys Observ, 2A Kazbegi Ave, GE-1060 Tbilisi, Rep of Georgia.
[Seo, Hee-Jong] Ohio Univ, Dept Phys & Astron, 251B Clippinger Labs, Athens, OH 45701 USA.
[Tojeiro, Rita] Univ St Andrews, Sch Phys & Astron, St Andrews KY16 9SS, Fife, Scotland.
[Vargas-Magana, Mariana] Univ Nacl Autonoma Mexico, Inst Fis, Apdo Postal 20-364, Mexico City 01000, DF, Mexico.
[Vargas-Magana, Mariana] Carnegie Mellon Univ, Dept Phys, 5000 Forbes Ave, Pittsburgh, PA 15217 USA.
[Vargas-Magana, Mariana] Carnegie Mellon Univ, McWilliams Ctr Cosmol, 5000 Forbes Ave, Pittsburgh, PA 15217 USA.
[Wang, Yuting; Zhao, Gong-Bo] Chinese Acad Sci, Natl Astron Observ, Beijing 100012, Peoples R China.
RP Sanchez, AG (reprint author), Max Planck Inst Extraterr Phys, Postfach 1312,Giessenbachstr, D-85741 Garching, Germany.
EM arielsan@mpe.mpg.de
OI Dalla Vecchia, Claudio/0000-0002-2620-7056
FU Trans-regional Collaborative Research Centre 'The Dark Universe' of the
German Research Foundation [TR33]; NSF [AST-1109432]; Spanish Ministry
of Economy and Competitiveness (MINECO) [SEV-2011-0187, SEV-2015-0548,
AYA2013-46886, AYA2014-58308]; Programa de Apoyo a Proyectos de
Investigacion e Innovacion Tecnologica (PAPITT) [IA102516]; Alfred P.
Sloan Foundation; National Science Foundation; US Department of Energy;
University of Arizona; Brazilian Participation Group; Brookhaven
National Laboratory; University of Cambridge; Carnegie Mellon
University; University of Florida; French Participation Group; German
Participation Group; Harvard University; Instituto de Astrofisica de
Canarias; Michigan State/Notre Dame/JINA Participation Group; Johns
Hopkins University; Lawrence Berkeley National Laboratory; Max Planck
Institute for Astrophysics; Max Planck Institute for Extraterrestrial
Physics; New Mexico State University; New York University; Ohio State
University; Pennsylvania State University; University of Portsmouth;
Princeton University; Spanish Participation Group; University of Tokyo;
University of Utah; Vanderbilt University; University of Virginia;
University of Washington; Yale University; ESA Member States; NASA
FX We thank the anonymous referee for his/her helpful comments and
suggestions. AGS would like to thank Ximena Mazzalay for her invaluable
help in the preparation of this manuscript. We would like to thank
Riccardo Bolze, Daniel Farrow, Jiamin Hou and Francesco Montesano for
useful discussions. AGS, JNG and SSA acknowledge support from the
Trans-regional Collaborative Research Centre TR33 'The Dark Universe' of
the German Research Foundation. RS was partially supported by NSF grant
AST-1109432. CDV acknowledges financial support from the Spanish
Ministry of Economy and Competitiveness (MINECO) under the 2011 and 2015
Severo Ochoa Programs SEV-2011-0187 and SEV-2015-0548, and grants
AYA2013-46886 and AYA2014-58308. MV is partially supported by Programa
de Apoyo a Proyectos de Investigacion e Innovacion Tecnologica (PAPITT)
no. IA102516.; Funding for SDSS-III has been provided by the Alfred P.
Sloan Foundation, the Participating Institutions, the National Science
Foundation and the US Department of Energy.; SDSS-III is managed by the
Astrophysical Research Consortium for the Participating Institutions of
the SDSS-III Collaboration including the University of Arizona, the
Brazilian Participation Group, Brookhaven National Laboratory,
University of Cambridge, Carnegie Mellon University, University of
Florida, the French Participation Group, the German Participation Group,
Harvard University, the Instituto de Astrofisica de Canarias, the
Michigan State/Notre Dame/JINA Participation Group, Johns Hopkins
University, Lawrence Berkeley National Laboratory, Max Planck Institute
for Astrophysics, Max Planck Institute for Extraterrestrial Physics, New
Mexico State University, New York University, Ohio State University,
Pennsylvania State University, University of Portsmouth, Princeton
University, the Spanish Participation Group, University of Tokyo,
University of Utah, Vanderbilt University, University of Virginia,
University of Washington and Yale University.; Based on observations
obtained with Planck (http://www.esa.int/Planck), an ESA science mission
with instruments and contributions directly funded by ESA Member States,
NASA and Canada.
NR 133
TC 1
Z9 1
U1 0
U2 0
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0035-8711
EI 1365-2966
J9 MON NOT R ASTRON SOC
JI Mon. Not. Roy. Astron. Soc.
PD JAN
PY 2017
VL 464
IS 2
BP 1640
EP 1658
DI 10.1093/mnras/stw2443
PG 19
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA EK0WF
UT WOS:000393647100028
ER
PT J
AU Antonius, G
AF Antonius, Gabriel
TI Israel's water story: Success or crisis?
SO PHYSICS TODAY
LA English
DT Letter
C1 [Antonius, Gabriel] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Antonius, G (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM antonius@lbl.gov
NR 1
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0031-9228
EI 1945-0699
J9 PHYS TODAY
JI Phys. Today
PD JAN
PY 2017
VL 70
IS 1
BP 12
EP 12
DI 10.1063/PT.3.3413
PG 1
WC Physics, Multidisciplinary
SC Physics
GA EI9QW
UT WOS:000392844800004
ER
PT J
AU Lam, P
Shiltsev, V
Zimmermann, F
AF Lam, Pui
Shiltsev, Vladimir
Zimmermann, Frank
TI John Michael Julius Madey OBITUARY
SO PHYSICS TODAY
LA English
DT Biographical-Item
C1 [Lam, Pui] Univ Hawaii Manoa, Honolulu, HI 96822 USA.
[Shiltsev, Vladimir] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
[Zimmermann, Frank] CERN, Geneva, Switzerland.
RP Lam, P (reprint author), Univ Hawaii Manoa, Honolulu, HI 96822 USA.
NR 0
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PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0031-9228
EI 1945-0699
J9 PHYS TODAY
JI Phys. Today
PD JAN
PY 2017
VL 70
IS 1
BP 70
EP 70
DI 10.1063/PT.3.3436
PG 1
WC Physics, Multidisciplinary
SC Physics
GA EI9QW
UT WOS:000392844800021
ER
PT J
AU Zeng, W
Sjoberg, M
Reuss, DL
Hu, ZJ
AF Zeng, Wei
Sjoberg, Magnus
Reuss, David L.
Hu, Zongjie
TI High-speed PIV, spray, combustion luminosity, and infrared fuel-vapor
imaging for probing tumble-flow-induced asymmetry of gasoline
distribution in a spray-guided stratified-charge DISI engine
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Stratified DISI engine; Asymmetric vapor distribution and flame
propagation; Intake-generated swirl and tumble flow; Soot emissions; PIV
and infrared fuel-vapor imaging
ID SPARK-IGNITION ENGINE
AB In this study, the influence of intake-generated swirl and tumble flow on fuel-air mixing and combustion is investigated in a spray-guided stratified-charge direct-injection spark-ignited engine. Previously, it was demonstrated that the introduction of a combined swirl-tumble flow recovered combustion stability, which was otherwise lost when increasing the engine speed from 1000 to 2000 rpm. However, the improved combustion came at the expense of elevated engine-out soot emissions. Here, high-speed combustion luminosity and PIV measurements at 2000 rpm confirm that soot incandescence is more prevalent with high swirl and tumble. The application of high-speed infrared (IR) gasoline-vapor imaging introduced here provides unique insights, revealing that operation with a combination of swirl and tumble generates an asymmetric fuel distribution that spatially correlates with highly luminous sooting combustion. The IR fuel-vapor imaging technique collects line-of-sight mid-infrared thermal emission from the C-H stretch band of the heated fuel near a wavelength of 3.4 mu m. The IR images resolve the penetrating vapor plumes distinctly, demonstrating that the 3.4 mu m band is suitable for quantitative measurements of vapor penetration during injection. After injection, the IR images provide a qualitative description of fuel-vapor spread without combustion. It is found that the no-swirl case has a symmetric fuel-vapor development during the latter part of the compression stroke. In contrast, for operation with strong swirl and tumble, vapor rotation and the development of an asymmetric and non-uniform fuel-vapor distribution is observed. PIV measurements reveal that the swirl flow dominates the vapor rotation, while the tumble flow appears to be a major reason for the asymmetric fuel-vapor distribution. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Zeng, Wei; Sjoberg, Magnus; Reuss, David L.] Sandia Natl Labs, MS 9053,POB 969, Livermore, CA 94551 USA.
[Reuss, David L.] Univ Michigan, 1231 Beal Ave, Ann Arbor, MI 48109 USA.
[Hu, Zongjie] Tongji Univ, 1239 Siping Rd, Shanghai 200092, Peoples R China.
RP Zeng, W (reprint author), Sandia Natl Labs, MS 9053,POB 969, Livermore, CA 94551 USA.
EM wei.zeng@gm.com
FU U.S. Department of Energy (DOE) Office of Energy Efficiency and
Renewable Energy (EERE), Bioenergy Technologies and Vehicle Technologies
Offices; U.S. Department of Energy's National Nuclear Security
Administration [DE-AC04-94AL85000]
FX This research was conducted as part of the Co-Optimization of Fuels and
Engines (Co-Optima) project sponsored by the U.S. Department of Energy
(DOE) Office of Energy Efficiency and Renewable Energy (EERE), Bioenergy
Technologies and Vehicle Technologies Offices. Sandia is a multi-program
laboratory operated by Sandia Corporation, a wholly owned subsidiary of
Lockheed Martin Corporation, for the U.S. Department of Energy's
National Nuclear Security Administration under contract
DE-AC04-94AL85000.
NR 13
TC 0
Z9 0
U1 1
U2 1
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 3
BP 3459
EP 3466
DI 10.1016/j.proci.2016.08.047
PG 8
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EJ7OT
UT WOS:000393412600015
ER
PT J
AU Krisman, A
Hawkes, ER
Talei, M
Bhagatwala, A
Chen, JH
AF Krisman, Alex
Hawkes, Evatt R.
Talei, Mohsen
Bhagatwala, Ankit
Chen, Jacqueline H.
TI A direct numerical simulation of cool-flame affected autoignition in
diesel engine-relevant conditions
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Autoignition; Direct numerical simulation; Cool-flame; Low temperature
chemistry; Negative temperature coefficient
ID N-HEPTANE/AIR MIXTURES; DME/AIR COFLOW FLAMES; JET FLAMES; AIR;
STABILIZATION; COMBUSTION; TURBULENCE; IGNITION; DNS
AB In diesel engines, combustion is initiated by a two-staged autoignition that includes both low-and high-temperature chemistry. The location and timing of both stages of autoignition are important parameters that influence the development and stabilisation of the flame. In this study, a two-dimensional direct numerical simulation (DNS) is conducted to provide a fully resolved description of ignition at diesel engine-relevant conditions. The DNS is performed at a pressure of 40 atmospheres and at an ambient temperature of 900 K using dimethyl ether (DME) as the fuel, with a 30 species reduced chemical mechanism. At these conditions, similar to diesel fuel, DME exhibits two-stage ignition. The focus of this study is on the behaviour of the low-temperature chemistry (LTC) and the way in which it influences the high-temperature ignition. The results show that the LTC develops as a "spotty" first-stage autoignition in lean regions which transitions to a diffusively supported cool-flame and then propagates up the local mixture fraction gradient towards richer regions. The cool-flame speed is much faster than can be attributed to spatial gradients in first-stage ignition delay time in homogeneous reactors. The cool-flame causes a shortening of the second-stage ignition delay times compared to a homogeneous reactor and the shortening becomes more pronounced at richer mixtures. Multiple high-temperature ignition kernels are observed over a range of rich mixtures that are much richer than the homogeneous most reactive mixture and most kernels form much earlier than suggested by the homogeneous ignition delay time of the corresponding local mixture. Overall, the results suggest that LTC can strongly influence both the timing and location in composition space of the high-temperature ignition. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Krisman, Alex; Bhagatwala, Ankit; Chen, Jacqueline H.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
[Krisman, Alex; Hawkes, Evatt R.] Univ New S Wales, Sch Mech & Mfg Engn, Sydney, NSW 2052, Australia.
[Hawkes, Evatt R.] Univ New S Wales, Sch Photovolta & Renewable Energy Engn, Sydney, NSW 2052, Australia.
[Talei, Mohsen] Univ Melbourne, Dept Mech Engn, Melbourne, Vic 3010, Australia.
RP Krisman, A (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
EM ankrism@sandia.gov
RI Hawkes, Evatt/C-5307-2012
OI Hawkes, Evatt/0000-0003-0539-7951
FU Australian Research Council [DP150104393, LE140100002, LE160100002,
LE160100051]; Australian Research Council Future Fellowship
[FT100100536]; Combustion Energy Frontier Research Center, an Energy
Frontier Research Center - US Department of Energy (DOE), Office of
Science, Office of Basic Energy Sciences [DE-SC0001198]; United States
Department of Energy [DE-AC04-94AL85000]
FX This research was supported under Australian Research Council under the
Discovery Projects funding scheme (project number DP150104393) and the
Linkage Infrastructure, Equipment and Facilities scheme (project numbers
LE140100002, LE160100002 and LE160100051). Evatt Hawkes is the recipient
of an Australian Research Council Future Fellowship (project number
FT100100536). The work at Sandia National Laboratories was supported by
the Combustion Energy Frontier Research Center, an Energy Frontier
Research Center funded by the US Department of Energy (DOE), Office of
Science, Office of Basic Energy Sciences under Award No. DE-SC0001198.
Sandia is a multiprogram laboratory operated by Sandia Corporation, a
Lockheed Martin Company, for the United States Department of Energy
under contract DE-AC04-94AL85000. The research was supported by
computational resources on the Australian NCI National Facility through
the National Computational Merit Allocation Scheme and Intersect
Australia partner share and by resources at the Pawsey Supercomputing
Centre.
NR 35
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PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 3
BP 3567
EP 3575
DI 10.1016/j.proci.2016.08.043
PG 9
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EJ7OT
UT WOS:000393412600027
ER
PT J
AU Salehi, F
Talei, M
Hawkes, ER
Bhagatwala, A
Chen, JH
Yoo, CS
Kook, S
AF Salehi, Fatemeh
Talei, Mohsen
Hawkes, Evatt R.
Bhagatwala, Ankit
Chen, Jacqueline H.
Yoo, Chun Sang
Kook, Sanghoon
TI Doubly conditional moment closure modelling for HCCI with temperature
inhomogeneities
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Conditional moment closure; Thermal stratification; Autoignition; HCCI
ID DIRECT NUMERICAL-SIMULATION; TURBULENT REACTING FLOWS; CONSTANT VOLUME;
IGNITION; MIXTURES; FLAMES; AUTOIGNITION; REIGNITION; EXTINCTION;
COMBUSTION
AB This paper presents a doubly conditional moment closure (DCMC) as an a posteriori predictive modelling tool for ignition of mixtures with large thermal stratification in homogeneous charge compression ignition (HCCI) conditions. Double conditioning is applied on enthalpy and its dissipation rate. The performance of the DCMC model is evaluated using a number of previously reported direct numerical simulations (DNSs) with various fuels. The DNSs modelled ignition of various lean homogeneous mixtures with a high level of temperature inhomogeneities. The selected cases exhibit a prevalence of deflagration mode of combustion as opposed to a spontaneous ignition-front mode, which has proven challenging for previous singly CMC. In all simulations, DCMC solver is run in a stand-alone mode with certain terms, such as the probability density functions of enthalpy and dissipation rate, being provided using the DNS input. The DCMC results are in a very good agreement with the DNS data, and are significantly improved compared with a singly conditional moment closure. A set of a posteriori DNS-DCMC tests is also performed to demonstrate importance of various terms in the doubly CMC equations. These tests first reveal that the effects of the cross dissipation and sources of enthalpy and dissipation rate (which lead to convective terms in conditional space) are insignificant and these terms can be safely neglected from the DCMC equations. The significance of this result is that the main unclosed models that would be needed for satisfactory results in a practical simulation of an engine would be the joint probably density function of enthalpy and its dissipation rate and the dissipation rate of dissipation rate. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Salehi, Fatemeh] Univ Sydney, Sch Aerosp Mechatron & Mech Engn, Sydney, NSW 2006, Australia.
[Salehi, Fatemeh; Hawkes, Evatt R.] Univ New South Wales, Sch Photovolta & Renewable Energy Engn, Sydney, NSW 2052, Australia.
[Talei, Mohsen] Univ Melbourne, Dept Mech Engn, Parkville, Vic 3010, Australia.
[Hawkes, Evatt R.; Kook, Sanghoon] Univ New South Wales, Sch Mech & Mfg Engn, Sydney, NSW 2052, Australia.
[Bhagatwala, Ankit; Chen, Jacqueline H.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA.
[Yoo, Chun Sang] Ulsan Natl Inst Sci & Technol, Sch Mech & Nucl Engn, Ulsan 689798, South Korea.
RP Salehi, F (reprint author), Univ Sydney, Sch Aerosp Mechatron & Mech Engn, Sydney, NSW 2006, Australia.
EM fatemeh.salehi@sydney.edu.au
RI Yoo, Chun Sang/E-5900-2010; Hawkes, Evatt/C-5307-2012
OI Yoo, Chun Sang/0000-0003-1094-4016; Hawkes, Evatt/0000-0003-0539-7951
FU Australian Research Council (ARC); Australian Government; Combustion
Energy Frontier Research Center, an Energy Frontier Research Center - US
Department of Energy (DOE), Office of Science, Office of Basic Energy
Sciences [DE-SC0001198]; United States Department of Energy
[DE-AC04-94AL85000]; Basic Science Research Program through the National
Research Foundation of Korea (NRF)-Ministry of Science, ICT and Future
Planning [2015R1A2A2A01007378]
FX This work was supported by the Australian Research Council (ARC). The
research benefited from computational resources provided through the
National Computational Merit Allocation Scheme, supported by the
Australian Government. The computational facilities supporting this
project included the Australian NCI National Facility, the partner share
of the NCI facility provided by Intersect Australia Pty Ltd., the Pawsey
Supercomputing Centre and the UNSW Faculty of Engineering. The work at
Sandia National Laboratories was supported by the Combustion Energy
Frontier Research Center, an Energy Frontier Research Center funded by
the US Department of Energy (DOE), Office of Science, Office of Basic
Energy Sciences under Award no. DE-SC0001198. Sandia is a multiprogram
laboratory operated by Sandia Corporation, a Lockheed Martin Company,
for the United States Department of Energy under contract
DE-AC04-94AL85000. CSY was supported by Basic Science Research Program
through the National Research Foundation of Korea (NRF) funded by the
Ministry of Science, ICT and Future Planning (no. 2015R1A2A2A01007378).
NR 29
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PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 3
BP 3677
EP 3685
DI 10.1016/j.proci.2016.05.021
PG 9
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EJ7OT
UT WOS:000393412600039
ER
PT J
AU Andersen, ME
Modak, N
Winterrowd, CK
Lee, CW
Roberts, WL
Wendt, JOL
Linak, WP
AF Andersen, Myrrha E.
Modak, Nabanita
Winterrowd, Christopher K.
Lee, Chun Wai
Roberts, William L.
Wendt, Jost O. L.
Linak, William P.
TI Soot, organics, and ultrafine ash from air-and oxy-fired coal combustion
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Oxy-coal combustion; Ultrafine fly ash; Loss on ignition; Elemental
carbon; Organic carbon
ID PULVERIZED-COAL; FLY-ASH; UNBURNED CARBON; DIESEL EXHAUST; FUEL
COMBUSTION; PARTICLES; EMISSIONS; IGNITION; DEVOLATILIZATION; PYROLYSIS
AB Pulverized bituminous coal was burned in a 10 W externally heated entrained flow furnace under air-combustion and three oxy-combustion inlet oxygen conditions (28, 32, and 36%). Experiments were designed to produce flames with practically relevant stoichiometric ratios (SR = 1.2-1.4) and constant residence times (2.3 s). Size-classified fly ash samples were collected, and measurements focused on the soot, elemental carbon (EC), and organic carbon (OC) composition of the total and ultrafine (< 0.6 mu m) fly ash. Results indicate that although the total fly ash carbon, as measured by loss on ignition, was always acceptably low (< 2%) with all three oxy-combustion conditions lower than air-combustion, the ultrafine fly ash for both air-fired and oxy-fired combustion conditions consists primarily of carbonaceous material (50-95%). Carbonaceous com-ponents on particles < 0.6 mu m measured by a thermal optical method showed that large fractions (52-93%) consisted of OC rather than EC, as expected. This observation was supported by thermogravimetric analysis indicating that for the air, 28% oxy, and 32% oxy conditions, 14-71% of this material may be OC volatilizing between 100 degrees C and 550 degrees C with the remaining 29-86% being EC/soot. However, for the 36% oxy condition, OC may comprise over 90% of the ultrafine carbon with a much smaller EC/soot contribution. These data were interpreted by considering the effects of oxy-combustion on flame attachment, ignition delay, and soot oxidation of a bituminous coal, and the effects of these processes on OC and EC emissions. Flame aerodynamics and inlet oxidant composition may influence emissions of organic hazardous air pollutants (HAPs) from a bituminous coal. During oxy-coal combustion, judicious control of inlet oxygen concentration and placement may be used to minimize organic HAP and soot emissions. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Andersen, Myrrha E.; Roberts, William L.] North Carolina State Univ, Dept Mech & Aerosp Engn, Raleigh, NC 27695 USA.
[Andersen, Myrrha E.; Modak, Nabanita] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37830 USA.
[Modak, Nabanita; Lee, Chun Wai; Linak, William P.] US EPA, Natl Risk Management Res Lab, Res Triangle Pk, NC 27711 USA.
[Winterrowd, Christopher K.] ARCADIS US Inc, Durham, NC 27713 USA.
[Winterrowd, Christopher K.] Jacobs Inc, Res Triangle Pk, NC 27711 USA.
[Roberts, William L.] King Abdullah Univ Sci & Technol, Dept Mech Engn, Thuwal 239556900, Saudi Arabia.
[Wendt, Jost O. L.] Univ Utah, Dept Chem Engn, Salt Lake City, UT 84112 USA.
RP Linak, WP (reprint author), US EPA, Natl Risk Management Res Lab, Res Triangle Pk, NC 27711 USA.
EM linak.bill@epa.gov
FU EPA/DOE [DW-89-92298301]; EPA [EP-C-09-027]; Oak Ridge Institute for
Science and Education (ORISE); ARCADIS U.S., Inc.
FX Portions of this work were sponsored under the EPA/DOE interagency
agreement DW-89-92298301 with Oak Ridge Institute for Science and
Education (ORISE) and EPA contract EP-C-09-027 with ARCADIS U.S., Inc.
The authors are grateful to Daniel Janek, Aaron DeBlois, James
Gustafson, Garrett Wiley, Mike Tufts, Bill Preston, Dean Smith, and
Bakul Patel for their assistance in the construction and operation of
the experimental combustor, and sample collection, and analyses. The
research described in this article has been reviewed by the U.S. EPA
National Risk Management Research Laboratory and approved for
publication. The contents of this article should not be construed to
represent Agency policy nor does mention of trade names or commercial
products constitute endorsement or recommendation for use.
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PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 3
BP 4029
EP 4037
DI 10.1016/j.proci.2016.08.073
PG 9
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EJ7OT
UT WOS:000393412600078
ER
PT J
AU Shaddix, CR
Williams, TC
AF Shaddix, Christopher R.
Williams, Timothy C.
TI The effect of oxygen enrichment on soot formation and thermal radiation
in turbulent, non-premixed methane flames
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Oxy-fuel; Flame; Methane; Soot; Radiation
ID DIFFUSION FLAMES; AIR SEPARATION; JET FLAMES
AB Non-premixed oxy-fuel combustion of natural gas is used in industrial applications where high-intensity heat is required, such as glass manufacturing and metal forging and shaping. In these applications, the high flame temperatures achieved by oxy-fuel combustion increase radiative heat transfer to the surfaces of interest and soot formation within the flame is desired for further augmentation of radiation. However, the high cost of cryogenic air separation has limited the penetration of oxy-fuel combustion technologies. New approaches to air separation are being developed that may reduce oxygen production costs, but only for intermediate levels of oxygen enrichment of air. To determine the influence of oxygen enrichment on soot formation and radiation, we developed a non-premixed coannular burner in which oxygen concentrations and oxidizer flow rates can be independently varied, to distinguish the effects of turbulent mixing intensity from oxygen en-richment on soot formation and flame radiation. Local radiation intensities, soot concentrations, and soot temperatures have been measured using a thin-film thermopile, planar laser-induced incandescence (LII), and two-color imaging pyrometry, respectively. The measurements show that soot formation increases as the oxygen concentration decreases from 100% to 50%, helping to moderate a decrease in overall flame radiation. An increase in turbulence intensity has a marked effect on flame height, soot formation and thermal radiation, leading to decreases in all of these. The soot temperature decreases with a decrease in the oxygen concentration and increases with an increase in turbulent mixing intensity. Overall, the results suggest that properly designed oxygen-enriched burners that enhance soot formation for intermediate levels of oxygen purity may be able to achieve thermal radiation intensities as high as 85% of traditional oxy-fuel burners utilizing high-purity oxygen. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Shaddix, Christopher R.; Williams, Timothy C.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA.
RP Shaddix, CR (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA.
EM crshadd@sandia.gov
FU Sandia National Laboratories' Laboratory Directed Research and
Development program; U.S. DOE's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX Support for this research was provided by Sandia National Laboratories'
Laboratory Directed Research and Development program. Sandia National
Laboratories is a multiprogram laboratory managed and operated by Sandia
Corporation, a wholly owned subsidiary of Lockheed Martin Corporation,
for U.S. DOE's National Nuclear Security Administration under contract
DE-AC04-94AL85000.
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PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 3
BP 4051
EP 4059
DI 10.1016/j.proci.2016.06.106
PG 9
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EJ7OT
UT WOS:000393412600080
ER
PT J
AU Magnotti, G
Barlow, RS
AF Magnotti, G.
Barlow, R. S.
TI Dual-resolution Raman spectroscopy for measurements of temperature and
twelve species in hydrocarbon-air flames
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Raman spectroscopy; Dimethyl ether; Hydrocarbon flames; Laminar flames;
Formaldehyde
ID PREMIXED CH4/AIR FLAMES; DIMETHYL ETHER; PREFERENTIAL TRANSPORT; JET
FLAMES; COMBUSTION
AB This paper introduces dual-resolution Raman spectroscopy as a novel diagnostics approach for measurements of temperature and species in flames where multiple hydrocarbons are present. Simultaneous measurement of multiple hydrocarbons is challenging because their vibrational Raman spectra in the C-H stretch region are closely overlapped and are not well known over the range of temperature encountered in flames. Overlap between the hydrocarbon spectra is mitigated by adding a second spectrometer, with a higher dispersion grating, to collect the Raman spectra in the C-H stretch region. A dual-resolution Raman spectroscopy instrument has been developed and optimized for measurements of major species (N-2, O-2, H2O, CO2, CO, H-2, DME) and major combustion intermediates (CH4, CH2O, C-2 H-2, C2H4 and C2H6) in DME-air flames. The temperature dependences of the hydrocarbon Raman spectra over fixed spectral regions have been de-termined through a series of measurements in laminar Bunsen-burner flames, and have been used to extend a library of previously acquired Raman spectra up to flame temperature. The paper presents the first Raman measurements of up to twelve species in hydrocarbon flames, and the first quantitative Raman measurements of formaldehyde in flames. The accuracy and precision of the instrument are determined from measurements in laminar flames and the applicability of the instrument to turbulent DME-air flames is discussed. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Magnotti, G.; Barlow, R. S.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA.
RP Magnotti, G (reprint author), Sandia Natl Labs, 7011 East Ave,MS 9051, Livermore, CA 94550 USA.
EM gmagnot@sandia.gov
OI Magnotti, Gaetano/0000-0002-1723-5258
FU Division of Chemical Sciences, Geosciences and Biosciences, Office of
Basic Energy Sciences, US Department of Energy; Department of Energy
NNSA [DEFC52-08NA28615]; United States Department of Energy
[DE-AC04-94-AL85000]
FX Work was supported by the Division of Chemical Sciences, Geosciences and
Biosciences, Office of Basic Energy Sciences, US Department of Energy.
Additional support was provided by the Department of Energy NNSA under
Grant No. DEFC52-08NA28615. Sandia National Laboratories is a
multiprogram laboratory operated by Sandia Corporation, a Lockheed
Martin Company, for the United States Department of Energy under
contract DE-AC04-94-AL85000. Contributions by Bob Harmon in support of
these experiments are gratefully acknowledged.
NR 13
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U1 1
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PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 3
BP 4477
EP 4485
DI 10.1016/j.proci.2016.06.128
PG 9
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EJ7OT
UT WOS:000393412600129
ER
PT J
AU Bohlin, A
Jainski, C
Patterson, BD
Dreizler, A
Kliewer, CJ
AF Bohlin, Alexis
Jainski, Christopher
Patterson, Brian D.
Dreizler, Andreas
Kliewer, Christopher J.
TI Multiparameter spatio-thermochemical probing of flame-wall interactions
advanced with coherent Raman imaging
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Time-resolved spectroscopy; CARS; Coherent imaging; Thermochemical
states; Flame-wall interactions
ID ROTATIONAL CARS THERMOMETRY; SINGLE-SHOT THERMOMETRY; SCATTERING
TEMPERATURE; PREMIXED FLAME; SPECTROSCOPY; LINE; N-2; CH4; CO
AB Ultrabroadband coherent anti-Stokes Raman spectroscopy (CARS) has been developed for one-dimensional imaging of temperature and major species distributions simultaneously in the near-wall region of a methane/air flame supported on a side-wall-quenching (SWQ) burner. Automatic temporal and spatial overlap of the similar to 7 fs pump and Stokes pulses is achieved utilizing a two-beam CARS phase-matching scheme, and the crossed similar to 75 ps probe beam provides excellent spatial sectioning of the probed location. Concurrent detection of N-2, O-2, H-2, CO, CO2, and CH4 is demonstrated while high-fidelity flame thermometry is assessed from the N-2 pure rotational S-branch in a one-dimensional-CARS imaging configuration. A methane/air premixed flame at lean, stoichiometric, and rich conditions (Phi = 0.83, 1.0, and 1.2) and Reynolds number = 5000 is probed as it quenches against a cooled steel side-wall parallel to the flow providing a persistent flame-wall interaction. An imaging resolution of better than 40 mu m is achieved across the field-of-view, thus allowing thermochemical states (temperature and major species) of the thermal boundary layer to be resolved to within similar to 30 mu m of the interface. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Bohlin, Alexis; Patterson, Brian D.; Kliewer, Christopher J.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
[Jainski, Christopher; Dreizler, Andreas] Tech Univ Darmstadt, Inst React Flows & Diagnost RSM, D-64287 Darmstadt, Germany.
RP Kliewer, CJ (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
EM cjkliew@sandia.gov
RI Bohlin, Alexis/L-8973-2015
OI Bohlin, Alexis/0000-0003-4383-8332
FU United States Department of Energy's Office of Science Early Career
Research Program; Office of Chemical Sciences, Biosciences, and
Geosciences, Office of Basic Energy Sciences, of the U. S. Department of
Energy; U.S. Department of Energy's National Nuclear Security
Administration [DE-AC04-94AL85000]; Deutsche Forschungsgemeinschaft
[SFB/TRR 150]; Gottfried Wilhelm Leibniz-program
FX This material is based upon work supported by an award from the United
States Department of Energy's Office of Science Early Career Research
Program. Development of the femtosecond/picosecond CARS system was
supported by Office of Chemical Sciences, Biosciences, and Geosciences,
Office of Basic Energy Sciences, of the U. S. Department of Energy.
Sandia is a multiprogram laboratory operated by Sandia Corporation, a
Lockheed Martin Company, for the U.S. Department of Energy's National
Nuclear Security Administration under contract DE-AC04-94AL85000. C.
Jainski and A. Dreizler gratefully acknowledge financial support by
Deutsche Forschungsgemeinschaft through SFB/TRR 150. In addition A.
Dreizler is thankful for support through the Gottfried Wilhelm
Leibniz-program.
NR 32
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PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 3
BP 4557
EP 4564
DI 10.1016/j.proci.2016.07.062
PG 8
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EJ7OT
UT WOS:000393412600138
ER
PT J
AU Tranter, RS
Kastengren, AL
Porterfield, JP
Randazzo, JB
Lockhart, JPA
Baraban, JH
Ellison, GB
AF Tranter, Robert S.
Kastengren, Alan L.
Porterfield, Jessica P.
Randazzo, John B.
Lockhart, James P. A.
Baraban, Joshua H.
Ellison, G. Barney
TI Measuring flow profiles in heated miniature reactors with X-ray
fluorescence spectroscopy
SO PROCEEDINGS OF THE COMBUSTION INSTITUTE
LA English
DT Article
DE Gas densities; Krypton fluorescence; Silicon carbide; Supersonic jet
ID RADICALS; RADIOGRAPHY; ACETYLENE
AB Density profiles of flowing gases within an opaque, heated, silicon carbide (SiC) miniature flow tube were measured, for the first time, by X-ray fluorescence spectroscopy using krypton as the fluorescent species. The experiments were performed with the flow tube at various fixed exterior wall temperatures between 300 K and 1100 K and a highly focused X-ray beam (5 mu m x 7 mu m; 15 keV). Spatially resolved raster scan maps of gas densities in the miniature reactor and the nearly supersonic jet eluting from the reactor were obtained. The intensity of the fluorescence signal was attenuated by the SiC, and a signal trapping model based on the tube morphology is required to convert the raw fluorescence signal into gas densities. This model was obtained, in part, from simultaneous measurements of the absorption of the incident X-rays by the SiC. Additional radiographic experiments with an unfocused beam were performed to image the SiC tube and complement the raster scans. Excellent correlation was found between the flow pattern revealed by the fluorescence measurements and the wall structure observed from the absorption measurements. Comments are made regarding refinements of the technique that will result in data of sufficient fidelity for validating computational fluid dynamic models of gas flows in heated miniature tubes. (C) 2016 by The Combustion Institute. Published by Elsevier Inc.
C1 [Tranter, Robert S.; Randazzo, John B.; Lockhart, James P. A.] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Kastengren, Alan L.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Porterfield, Jessica P.; Baraban, Joshua H.; Ellison, G. Barney] Univ Colorado, Sch Chem & Biochem, Boulder, CO 80309 USA.
RP Tranter, RS (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM tranter@anl.gov
FU Office of Basic Energy Sciences, Division of Chemical Sciences,
Geosciences, and Biosciences, U.S. Department of Energy
[DE-AC02-06CH11357]; National Science Foundation [CHE-1112466]
FX This work was performed under the auspices of the Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences,
U.S. Department of Energy, under contract number DE-AC02-06CH11357. This
research used resources of the Advanced Photon Source, which is a DOE
Office of Science User Facility. JPP, JHB, and GBE acknowledge support
from the National Science Foundation (CHE-1112466).
NR 16
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U1 3
U2 3
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1540-7489
EI 1873-2704
J9 P COMBUST INST
JI Proc. Combust. Inst.
PY 2017
VL 36
IS 3
BP 4603
EP 4610
DI 10.1016/j.proci.2016.06.104
PG 8
WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Engineering,
Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EJ7OT
UT WOS:000393412600143
ER
PT J
AU Yu, CW
Harrold, DR
Claypool, JT
Simmons, BA
Singer, SW
Simmons, CW
VanderGheynst, JS
AF Yu, Chaowei
Harrold, Duff R.
Claypool, Joshua T.
Simmons, Blake A.
Singer, Steven W.
Simmons, Christopher W.
VanderGheynst, Jean S.
TI Nitrogen amendment of green waste impacts microbial community, enzyme
secretion and potential for lignocellulose decomposition
SO PROCESS BIOCHEMISTRY
LA English
DT Article
DE Municipal green waste; Compost; PICRUSt; Biomass deconstruction; Carbon
to nitrogen ratio
ID RICE STRAW; SOIL; DEPOSITION; BACTERIAL; BIODIVERSITY; ENRICHMENT;
DIVERSITY; DYNAMICS; BIOFUELS; COMPOSTS
AB Microorganisms involved in biomass deconstruction are an important resource for organic waste recycling and enzymes for lignocellulose bioconversion. The goals of this study were to examine the impact of nitrogen amendment on microbial community restructuring, secretion of xylanases and endoglucanases, and potential for biomass deconstruction. Communities were cultivated aerobically at 55 degrees C on green waste (GW) amended with varying levels of NH4Cl. Bacterial and fungal communities were determined using 16S rRNA and ITS region gene sequencing and PICRUSt (Phylogenetic Investigation of Communities by Reconstruction of Unobserved States) was applied to predict relative abundance of genes involved in lignocellulose hydrolysis. Nitrogen amendment significantly increased secretion of xylanases and endoglucanases, and microbial activity; enzyme activities and cumulative respiration were greatest when nitrogen level in GW was between 4.13-4.56 wt% (g/g), but decreased with higher nitrogen levels. The microbial community shifted to one with increasing potential to decompose complex polymers as nitrogen increased with peak potential occurring between 3.79-4.45 wt% (g/g) nitrogen amendment. The results will aid in informing the management of nitrogen level to foster microbial communities capable of secreting enzymes that hydrolyze recalcitrant polymers in lignocellulose and yield rapid decomposition of green waste. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Yu, Chaowei; Harrold, Duff R.; Claypool, Joshua T.; VanderGheynst, Jean S.] Univ Calif Davis, Dept Biol & Agr Engn, One Shields Ave, Davis, CA 95616 USA.
[Claypool, Joshua T.; Simmons, Christopher W.] Univ Calif Davis, Dept Food Sci & Technol, Davis, CA 95616 USA.
[Simmons, Blake A.; Singer, Steven W.; VanderGheynst, Jean S.] Joint BioEnergy Inst, Emeryville, CA 94608 USA.
[Simmons, Blake A.; Singer, Steven W.] Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA.
RP VanderGheynst, JS (reprint author), Univ Calif Davis, Dept Biol & Agr Engn, One Shields Ave, Davis, CA 95616 USA.
EM ycwyu@ucdavis.edu; drharrold@ucdavis.edu; jtclaypool@ucdavis.edu;
basimmons@lbl.gov; swsinger@lbl.gov; cwsimmons@ucdavis.edu;
jsvander@ucdavis.edu
FU National Institute of Food and Agriculture [CA-D-BAE-2228-RR]; UC Lab
Fees Research Program [237496]; US Department of Energy, Office of
Science, Office of Biological and Environmental Research
[DE-AC02-05CH11231]; National Science Foundation [DGE-0948021,
CBET-1438694]; Office of Science of the US Department of Energy
[DE-AC02-05CH11231]
FX This work was supported by National Institute of Food and Agriculture
[project CA-D-BAE-2228-RR], the UC Lab Fees Research Program [project
#237496] and completed as part of the Joint BioEnergy Institute,
supported by the US Department of Energy, Office of Science, Office of
Biological and Environmental Research [contract DE-AC02-05CH11231]
between Lawrence Berkeley National Laboratory and the US Department of
Energy. Josh Claypool and Duff Harrold were partially supported by
National Science Foundation [projects DGE-0948021 and CBET-1438694].
Sequencing was conducted by the Joint Genome Institute, which is
supported by the Office of Science of the US Department of Energy
[contract DE-AC02-05CH11231]. The sponsors had no role in study design;
in the collection, analysis and interpretation of data; in the writing
of the report; and in the decision to submit the article for
publication.
NR 46
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U1 6
U2 6
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 1359-5113
EI 1873-3298
J9 PROCESS BIOCHEM
JI Process Biochem.
PD JAN
PY 2017
VL 52
BP 214
EP 222
DI 10.1016/j.procbio.2016.11.002
PG 9
WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology;
Engineering, Chemical
SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology;
Engineering
GA EI8RG
UT WOS:000392774600025
ER
PT J
AU Massuyeau, F
Perry, DL
Kalashnyk, N
Faulques, E
AF Massuyeau, F.
Perry, D. L.
Kalashnyk, N.
Faulques, E.
TI Spectroscopic markers for uranium(VI) phosphates. Part II: the use of
time-resolved photoluminescence
SO RSC ADVANCES
LA English
DT Article
ID LASER-INDUCED FLUORESCENCE; HYDROGEN URANYL PHOSPHATE; REMOTE-SENSING
TECHNIQUE; GAMMA-RAY SPECTROMETRY; CRYSTAL-STRUCTURE; SELECTIVE
DETECTION; GEOLOGIC TARGETS; AQUEOUS-SOLUTION; EXCITED-STATE;
LUMINESCENCE
AB Detection of uranium hydrates that are relevant for environmental sustainability and adsorption at surfaces is effected using time-resolved photoluminescence spectroscopy (TRPL) with simultaneous lifetime and spectral acquisitions. The study is the second paper devoted to this topic (part I: Faulques et al. RSC Adv., 2015, 5, 71219) and focuses on photoluminescence (PL) phenomena. When a temporal dimension is added, the TRPL technique surpasses, via PL decay analysis, steady-state approaches for discriminating minerals with very similar optical and PL spectra. Further, estimates of quantum yields and nonradiative lifetimes can be given. The results are pertinent in the context of remote sensing of parent hazardous uranyl compounds in the environment.
C1 [Massuyeau, F.; Faulques, E.] Univ Nantes, CNRS, Inst Mat Jean Rouxel IMN, 2 Rue Houssiniere,BP 32229, F-443223 Nantes 3, France.
[Perry, D. L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mail Stop 70A-1150, Berkeley, CA 94720 USA.
[Kalashnyk, N.] Univ Lorraine, IJL, CNRS, UMR 7198, Parc Saurupt,CS 50840, F-54011 Nancy, France.
RP Faulques, E (reprint author), Univ Nantes, CNRS, Inst Mat Jean Rouxel IMN, 2 Rue Houssiniere,BP 32229, F-443223 Nantes 3, France.
EM eric.faulques@cnrs-imn.fr
FU U. S. Department of Energy [DE-ACO3-76SF00098]
FX This work was supported by the U. S. Department of Energy under Contract
No. DE-ACO3-76SF00098. We thank V. G. Ivanov for useful discussions and
J. Y. Mevellec for crystals microphotographs.
NR 51
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U2 5
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2017
VL 7
IS 2
BP 919
EP 926
DI 10.1039/c6ra26157d
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA EK2FK
UT WOS:000393743000043
ER
PT J
AU Sun, PP
Wang, XZ
Zhu, K
Chen, X
Cui, X
Xu, QY
Su, D
Fan, Q
Sun, YM
AF Sun, Pingping
Wang, Xiuzhen
Zhu, Kai
Chen, Xiao
Cui, Xia
Xu, Qingyu
Su, Dong
Fan, Qi
Sun, Yueming
TI Core-shell-structured Li3V2(PO4)(3)-LiVOPO4 nanocomposites cathode for
high-rate and long-life lithium-ion batteries
SO RSC ADVANCES
LA English
DT Article
ID ELECTROCHEMICAL PERFORMANCE; STORAGE DEVICES; COMPOSITE; CARBON;
NANOWIRES
AB A facile strategy has been developed to construct unique core-shell-structured Li2.7V2.1 (PO4)(3) nanocomposites with a Li3V2(PO4)(3) core and LiVOPO4 shell by using nonstoichiometric design and highenergy ball milling (HEBM) treatment. The HEBM treatment supplies enough energy to drive the excess V atoms to the surface to form a V-enriched shell. Such kind of cathode can deliver a high reversible capacity of 131.5 mA h g(-1) at 0.5C, which is close to the theoretical capacity ( 133 mA h g(-1) in 3.0-4.3 V). Even at 20C, it still delivers an excellent discharge capacity of 116.3 mA h g(-1), and a remarkable capacity of 111.0 mA h g(-1) after 1000 cycles, corresponding to an ultra-small capacity-loss of 0.0046% per cycle. The significantly improved high-rate electrochemical performance can be attributed to the active shell of LiVOPO4, which not only efficiently facilitates the electron and Li+ ion transport during cycling processes, but also accommodates more Li+ ions to effectively compensate the capacity loss of the core.
C1 [Sun, Pingping; Wang, Xiuzhen; Zhu, Kai; Chen, Xiao; Xu, Qingyu; Fan, Qi] Southeast Univ, Dept Phys, Nanjing 211189, Jiangsu, Peoples R China.
[Cui, Xia; Fan, Qi; Sun, Yueming] Southeast Univ, Coll Chem & Chem Engn, Nanjing 211189, Jiangsu, Peoples R China.
[Xu, Qingyu] Nanjing Univ, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China.
[Su, Dong] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
RP Xu, QY; Fan, Q (reprint author), Southeast Univ, Dept Phys, Nanjing 211189, Jiangsu, Peoples R China.; Fan, Q (reprint author), Southeast Univ, Coll Chem & Chem Engn, Nanjing 211189, Jiangsu, Peoples R China.; Xu, QY (reprint author), Nanjing Univ, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China.
EM xuqingyu@seu.edu.cn; fanqi1984@126.com
FU Scientific Research Foundation of Graduate School of Southeast
University; National Natural Science Foundation of China [51172044,
51471085, 51407029]; Natural Science Foundation of Jiangsu Province of
China [BK20151400]; China Postdoctoral Science Foundation [2012M520968];
International Postdoctoral Exchange Fellowship Program by the Office of
China Post-doctoral Council; Key Laboratory of MEMS of Ministry of
Education, Southeast University; U.S. Department of Energy, Office of
Basic Energy Sciences [DE-SC-00112704]
FX This work is supported by the Scientific Research Foundation of Graduate
School of Southeast University and National Natural Science Foundation
of China (51172044, 51471085, 51407029), the Natural Science Foundation
of Jiangsu Province of China (BK20151400), China Postdoctoral Science
Foundation (2012M520968), the International Postdoctoral Exchange
Fellowship Program 2014 by the Office of China Post-doctoral Council,
and the open research fund of Key Laboratory of MEMS of Ministry of
Education, Southeast University. Partial electron microscopy work was
performed at the Center for Functional Nanomaterials, Brookhaven
National Laboratory, supported by U.S. Department of Energy, Office of
Basic Energy Sciences, under contract no. DE-SC-00112704. We thank
Xiaofeng Chang and Prof. Peng Wang from Nanjing University for their
assistance in the TEM investigation, Prof. Guangbin Ji from Nanjing
University of Aeronautics and Astronautics for the particle-size
distribution measurements.
NR 43
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U2 10
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2017
VL 7
IS 6
BP 3101
EP 3107
DI 10.1039/c6ra26790d
PG 7
WC Chemistry, Multidisciplinary
SC Chemistry
GA EK2HU
UT WOS:000393749200008
ER
PT J
AU Li, WZ
Kovarik, L
Cheng, YW
Nie, L
Bowden, ME
Liu, J
Wang, Y
AF Li, Wei-Zhen
Kovarik, Libor
Cheng, Yingwen
Nie, Lei
Bowden, Mark E.
Liu, Jun
Wang, Yong
TI Stabilization and transformation of Pt nanocrystals supported on ZnAl2O4
spinel
SO RSC ADVANCES
LA English
DT Article
ID PLATINUM NANOPARTICLES; CATALYSTS; SILICA; OXIDE
AB The role of interfacial interaction on the stabilization and transformation of Pt nanocrystals supported on zinc aluminate (ZnAl2O4) was systematically studied in this work. In addition to the remarkable stability of Pt nanocrystals supported on the {111} ZnAl2O4 facet under a harsh oxidizing atmosphere, we also identified the phase segregation of ZnAl2O4 to ZnO and Al2O3 and the transformation of Pt to PtZn bimetallic alloy for Pt supported on other facets. High resolution scanning transmission electron microscopy and X-ray diffraction analyses reveal the phase segregation is associated with a cation migration mechanism associated with replacement of Zn2+ by Al3+ in the spinel structure. This work confirms the strong interfacial interactions between precious metal nanocrystals and that the spinel support is a general mechanism for stabilizing precious metal catalysts, with important implications for the rational design of stable integrated catalysis systems.
C1 [Li, Wei-Zhen; Kovarik, Libor; Cheng, Yingwen; Nie, Lei; Bowden, Mark E.; Liu, Jun; Wang, Yong] Pacific Northwest Natl Lab, Inst Integrated Catalysis, POB 999, Richland, WA 99352 USA.
[Wang, Yong] Washington State Univ, Gene & Linda Voiland Sch Chem Engn & Bioengn, Pullman, WA 99164 USA.
[Li, Wei-Zhen] Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China.
RP Liu, J; Wang, Y (reprint author), Pacific Northwest Natl Lab, Inst Integrated Catalysis, POB 999, Richland, WA 99352 USA.; Wang, Y (reprint author), Washington State Univ, Gene & Linda Voiland Sch Chem Engn & Bioengn, Pullman, WA 99164 USA.
EM weizhenli@dicp.ac.cn; jun.liu@pnnl.gov; yong.wang@pnnl.gov
FU U.S. Department of Energy (DOE), Office of Science, Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences
[DE-AC05-RL01830, FWP-47319]; U.S. Department of Energy, Office of
Science, Basic Energy Sciences, Division of Materials Sciences and
Engineering [KC020105-FWP12152]; MS3 Initiative at the Pacific Northwest
National Laboratory (PNNL); DOE Office of Biological and Environmental
Research
FX This work was supported by the U.S. Department of Energy (DOE), Office
of Science, Basic Energy Sciences, Division of Chemical Sciences,
Geosciences, and Biosciences (DE-AC05-RL01830, FWP-47319). J. Liu and Y.
Cheng acknowledge the support from the U.S. Department of Energy, Office
of Science, Basic Energy Sciences, Division of Materials Sciences and
Engineering, under Award KC020105-FWP12152, for the synthesis of the
catalysts and supports. L. Nie acknowledges the support by MS3
Initiative at the Pacific Northwest National Laboratory (PNNL). It was
conducted under the Laboratory Directed Research and Development Program
(LDRD) at PNNL. The S/TEM and XRD characterizations were performed in
the Environmental Molecular Sciences Laboratory (EMSL), a national
scientific user facility sponsored by the DOE Office of Biological and
Environmental Research, and located at PNNL. PNNL is a multi-program
national laboratory operated by Battelle for DOE by Battelle.
NR 23
TC 0
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U1 5
U2 5
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2017
VL 7
IS 6
BP 3282
EP 3286
DI 10.1039/c6ra26159k
PG 5
WC Chemistry, Multidisciplinary
SC Chemistry
GA EK2HU
UT WOS:000393749200029
ER
PT J
AU Dong, FP
Firkowska-Boden, I
Arras, MML
Jandt, KD
AF Dong, Fuping
Firkowska-Boden, Izabela
Arras, Matthias M. L.
Jandt, Klaus. D.
TI Responsive copolymer-graphene oxide hybrid microspheres with enhanced
drug release properties
SO RSC ADVANCES
LA English
DT Article
ID CORE-SHELL MICROGELS; HOLLOW SPHERES; POLY(N-ISOPROPYLACRYLAMIDE)
HYDROGEL; DELIVERY; STIMULI
AB The ability to integrate both high encapsulation efficiency and controlled release in a drug delivery system (DDS) is a highly sought solution to cure major diseases. However, creation of such a system is challenging. This study was aimed at constructing a new delivery system based on thermoresponsive poly(N-isopropylacrylamide- co-styrene) (PNIPAAm-co-PS) hollow microspheres prepared via two-step precipitation polymerization. To control the diffusion-driven drug release, the PNIPAAm-co-PS spheres were electrostatically coated with graphene oxide (GO) nanosheets. As a result of the coating the permeability of the copolymer-GO hybrid microspheres was reduced to an extent that suppressed the initial burst release and enabled sustained drug release in in vitro testing. The hybrid microspheres showed improved drug encapsulation by 46.4% which was attributed to the diffusion barrier properties and p-conjugated structure of GO. The system presented here is promising to advance, e.g., anticancer drug delivery technologies by enabling sustained drug release and thus minimizing local and systemic side effects.
C1 [Dong, Fuping; Firkowska-Boden, Izabela; Arras, Matthias M. L.; Jandt, Klaus. D.] Friedrich Schiller Univ Jena, Otto Schott Inst Mat Res, Fac Phys & Astron, Chair Mat Sci, Lobdergraben 32, D-07743 Jena, Germany.
[Dong, Fuping] Guizhou Univ, Coll Mat & Met, Dept Polymer Mat & Engn, Guiyang 550025, Peoples R China.
[Arras, Matthias M. L.] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA.
[Jandt, Klaus. D.] Friedrich Schiller Univ Jena, Jena Ctr Soft Matter ICSM, Philosophenweg 7, D-07743 Jena, Germany.
RP Jandt, KD (reprint author), Friedrich Schiller Univ Jena, Otto Schott Inst Mat Res, Fac Phys & Astron, Chair Mat Sci, Lobdergraben 32, D-07743 Jena, Germany.; Jandt, KD (reprint author), Friedrich Schiller Univ Jena, Jena Ctr Soft Matter ICSM, Philosophenweg 7, D-07743 Jena, Germany.
EM K.Jandt@uni-jena.de
RI Dong, Fuping/D-7630-2017
FU Scientific User Facilities Division, Office of Basic Energy Science,
U.S. Department of Energy
FX We thank Mr R. Wagner and Mr M. Muhlstadt for XPS measurement/analysis
and Ms H. Garlipp for her help with the SEM measurements. The research
at Oak Ridge National Laboratory's Spallation Neutron Source was
sponsored by the Scientific User Facilities Division, Office of Basic
Energy Science, U.S. Department of Energy.
NR 38
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U1 12
U2 12
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2017
VL 7
IS 7
BP 3720
EP 3726
DI 10.1039/c6ra25353a
PG 7
WC Chemistry, Multidisciplinary
SC Chemistry
GA EK2ID
UT WOS:000393750100012
ER
PT J
AU Abellan, P
Moser, TH
Lucas, IT
Grate, JW
Evans, JE
Browning, ND
AF Abellan, P.
Moser, T. H.
Lucas, I. T.
Grate, J. W.
Evans, J. E.
Browning, N. D.
TI The formation of cerium(III) hydroxide nanoparticles by a radiation
mediated increase in local pH
SO RSC ADVANCES
LA English
DT Article
ID TRANSMISSION ELECTRON-MICROSCOPY; LITHIUM-ION BATTERIES; OXIDE
NANOPARTICLES; AQUEOUS SYSTEMS; CERIA NANOPARTICLES; GROWTH; LIQUID;
REDUCTION; CHEMISTRY; DAMAGE
AB Here we report radiation-induced formation of Ce(III) nanostructures in an in situ liquid cell for the transmission electron microscope (TEM). Small (<5 nm) irregular Ce(OH)(3) nanoparticles were identified as the final products from cerium(III) nitrate solutions of initial pH 5.2. Pourbaix diagrams show that solid Ce(OH)(3) can only exist above pH 10.4, whereas at lower pH values, Ce(III) should remain soluble as aqueous Ce3+. Reduction of Ce3+ to zerovalent Ce by aqueous electrons followed by hydrolysis is a plausible catalytic mechanism for generating hydroxide. Numerical simulations support that radiolysis of cerium nitrate solutions may lead to pH increases, in contrast to well-known acidification of pure water. Compared to previous radiolytic synthesis routes in aqueous solution for other metal or metal oxide nanoparticles, based on metal ion reduction, for example, the chemical pathways leading to these Ce(III) nanostructures require an increase in the local pH to alkaline conditions where Ce(OH) 3 can exist. These results extend the range of chemical conditions that can be induced by radiolysis to form oxidized nanostructures from solution.
C1 [Abellan, P.] SuperSTEM Lab, SciTech Daresbury Campus,Keckwick Lane, Daresbury WA4 4AD, Cheshire, England.
[Abellan, P.] Univ Leeds, Inst Mat Res, Leeds LS2 9JT, W Yorkshire, England.
[Abellan, P.; Grate, J. W.; Browning, N. D.] Pacific Northwest Natl Lab, Phys & Computat Sci Directorate, Richland, WA 99352 USA.
[Moser, T. H.] Michigan Technol Univ, Dept Mech Engn & Engn Mech, Houghton, MI 49931 USA.
[Lucas, I. T.] UPMC Univ Paris 06, Sorbonne Univ, CNRS, LISE,UMR 8235, F-75005 Paris, France.
[Evans, J. E.] Pacific Northwest Natl Lab, Environm Mol Sci Directorate, Richland, WA 99352 USA.
[Browning, N. D.] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA.
RP Abellan, P (reprint author), SuperSTEM Lab, SciTech Daresbury Campus,Keckwick Lane, Daresbury WA4 4AD, Cheshire, England.; Abellan, P (reprint author), Univ Leeds, Inst Mat Res, Leeds LS2 9JT, W Yorkshire, England.; Abellan, P (reprint author), Pacific Northwest Natl Lab, Phys & Computat Sci Directorate, Richland, WA 99352 USA.
EM pabellan@superstem.org
OI LUCAS, Ivan T./0000-0001-8930-0437
FU Chemical Imaging Initiative under the Laboratory Directed Research and
Development Program at Pacific Northwest National Laboratory (PNNL);
U.S. Department of Energy (DOE) [DE-AC05-76RL01830]; Department of
Energy's Office of Biological and Environmental Research; Engineering
and Physical Sciences Research Council
FX The experimental work involving the development and application of in
situ liquid stages in the TEM was supported by the Chemical Imaging
Initiative; under the Laboratory Directed Research and Development
Program at Pacific Northwest National Laboratory (PNNL). PNNL is a
multi-program national laboratory operated by Battelle for the U.S.
Department of Energy (DOE) under Contract DE-AC05-76RL01830. We thank
Yongsoon Shin and Prabhakaran Munusamy for assistance with precursor
solutions, and Ajay Karakoti for helpful discussions on solution
synthesis chemistry for cerium oxide nanoparticles. A portion of the
research was performed using the Environmental Molecular Sciences
Laboratory (EMSL), a national scientific user facility sponsored by the
Department of Energy's Office of Biological and Environmental Research
and located at Pacific Northwest National Laboratory. The SuperSTEM
Laboratory is the U.K National Facility for Aberration-Corrected STEM,
supported by the Engineering and Physical Sciences Research Council
(PA).
NR 54
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PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2017
VL 7
IS 7
BP 3831
EP 3837
DI 10.1039/c6ra27066b
PG 7
WC Chemistry, Multidisciplinary
SC Chemistry
GA EK2ID
UT WOS:000393750100027
ER
PT J
AU Le, RK
Wells, T
Das, P
Meng, XZ
Stoklosa, RJ
Bhalla, A
Hodge, DB
Yuan, JS
Ragauskas, AJ
AF Le, Rosemary K.
Wells, Tyrone, Jr.
Das, Parthapratim
Meng, Xianzhi
Stoklosa, Ryan J.
Bhalla, Aditya
Hodge, David B.
Yuan, Joshua S.
Ragauskas, Arthur J.
TI Conversion of corn stover alkaline pre-treatment waste streams into
biodiesel via Rhodococci
SO RSC ADVANCES
LA English
DT Article
ID LIPID PRODUCTION; LIGNOCELLULOSIC BIOMASS; BIOETHANOL PRODUCTION; LIGNIN
VALORIZATION; ETHANOL-PRODUCTION; OPACUS PD630; RICE STRAW; BIOFUELS;
ENERGY; OPPORTUNITIES
AB The bioconversion of second-generation cellulosic ethanol waste streams into biodiesel via oleaginous bacteria is a novel optimization strategy for biorefineries with substantial potential for rapid development. In this study, one-and two-stage alkali/alkali-peroxide pretreatment waste streams of corn stover were separately implemented as feedstocks in 96 h batch reactor fermentations with wild-type Rhodococcus opacus PD 630, R. opacus DSM 1069, and R. jostii DSM 44719T. Here we show using P-31-NMR, HPAEC-PAD, and SEC analyses, that the more rigorous and chemically-efficient two-stage chemical pretreatment effluent provided higher concentrations of solubilized glucose and lower molecular weight (similar to 70-300 g mol(-1)) lignin degradation products thereby enabling improved cellular density, viability, and oleaginicity in each respective strain. The most significant yields were by R. opacus PD 630, which converted 6.2% of organic content with a maximal total lipid production of 1.3 g L-1 and accumulated 42.1% in oils based on cell dry weight after 48 h.
C1 [Le, Rosemary K.; Wells, Tyrone, Jr.; Das, Parthapratim; Meng, Xianzhi; Ragauskas, Arthur J.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
[Le, Rosemary K.; Wells, Tyrone, Jr.; Das, Parthapratim; Meng, Xianzhi; Ragauskas, Arthur J.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
[Stoklosa, Ryan J.; Hodge, David B.] Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA.
[Stoklosa, Ryan J.; Bhalla, Aditya; Hodge, David B.] Michigan State Univ, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA.
[Bhalla, Aditya] Michigan State Univ, Dept Biochem, E Lansing, MI 48824 USA.
[Hodge, David B.] Michigan State Univ, Dept Biosyst & Agr Engn, E Lansing, MI 48824 USA.
[Yuan, Joshua S.] Texas A&M Univ, Dept Plant Pathol & Microbiol, Synthet & Syst Biol Innovat Hub, 21230 TAMU, College Stn, TX 77843 USA.
[Ragauskas, Arthur J.] Univ Tennessee, Ctr Renewable Carbon, Dept Forestry Wildlife & Fisheries, Knoxville, TN 37996 USA.
RP Ragauskas, AJ (reprint author), Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.; Ragauskas, AJ (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.; Ragauskas, AJ (reprint author), Univ Tennessee, Ctr Renewable Carbon, Dept Forestry Wildlife & Fisheries, Knoxville, TN 37996 USA.
EM aragauskas@utk.edu
FU Department of Energy [DE-EE0006112]
FX The research team acknowledges the Department of Energy (DE-EE0006112)
for funding the microbial conversion results reported in this
manuscript.
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PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2017
VL 7
IS 7
BP 4108
EP 4115
DI 10.1039/c6ra28033a
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA EK2ID
UT WOS:000393750100062
ER
PT J
AU Shi, QR
Zhu, CZ
Engelhard, MH
Du, D
Lin, YH
AF Shi, Qiurong
Zhu, Chengzhou
Engelhard, Mark H.
Du, Dan
Lin, Yuehe
TI Highly uniform distribution of Pt nanoparticles on N-doped hollow carbon
spheres with enhanced durability for oxygen reduction reaction
SO RSC ADVANCES
LA English
DT Article
ID PEM FUEL-CELLS; PLATINUM NANOPARTICLES; ELECTROCHEMICAL PERFORMANCE;
ELECTROCATALYTIC ACTIVITY; METHANOL OXIDATION; GRAPHENE SHEETS;
CATALYSTS; SURFACES; ALLOY; SUPERCAPACITORS
AB Carbon-supported Pt nanostructures currently exhibit great potential in polymer electrolyte membrane fuel cells. Nitrogen-doped hollow carbon spheres (NHCSs) with extra low density and high specific surface area are a promising carbon support for loading Pt NPs. The doped heteroatom of nitrogen not only contributes to the active activity for the oxygen reduction reaction (ORR), but also shows a strong interaction with Pt NPs for entrapping them to prevent dissolution/migration. This synergetic effect/interaction resulted in the uniform dispersion and strong combination of the Pt NPs on the carbon support and thus plays a significant role in hindering the degradation of the catalytic activities of Pt NPs. As expected, the asobtained Pt/NHCSs displayed improved catalytic activity and superior durability toward the ORR.
C1 [Shi, Qiurong; Zhu, Chengzhou; Du, Dan; Lin, Yuehe] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA.
[Engelhard, Mark H.] Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
RP Lin, YH (reprint author), Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA.
EM yuehe.lin@wsu.edu
FU Washington State University startup fund; Department of Energy's Office
of Biological and Environmental Research at Pacific Northwest National
Laboratory; China Scholarship Council
FX This work was sponsored by Washington State University startup fund. We
thank Franceschi Microscopy & Image Center at Washington State
University for TEM and SEM measurement. We also thank EMSL, a national
scientific user facility for XPS measurement, which is sponsored by the
Department of Energy's Office of Biological and Environmental Research
located at Pacific Northwest National Laboratory. Q. S. thanks the China
Scholarship Council for the financial support.
NR 48
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PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2017
VL 7
IS 11
BP 6303
EP 6308
DI 10.1039/c6ra25391a
PG 6
WC Chemistry, Multidisciplinary
SC Chemistry
GA EK2KB
UT WOS:000393755100017
ER
PT J
AU Bargsten, C
Hollinger, R
Capeluto, MG
Kaymak, V
Pukhov, A
Wang, SJ
Rockwood, A
Wang, Y
Keiss, D
Tommasini, R
London, R
Park, J
Busquet, M
Klapisch, M
Shlyaptsev, VN
Rocca, JJ
AF Bargsten, Clayton
Hollinger, Reed
Capeluto, Maria Gabriela
Kaymak, Vural
Pukhov, Alexander
Wang, Shoujun
Rockwood, Alex
Wang, Yong
Keiss, David
Tommasini, Riccardo
London, Richard
Park, Jaebum
Busquet, Michel
Klapisch, Marcel
Shlyaptsev, Vyacheslav N.
Rocca, Jorge J.
TI Energy penetration into arrays of aligned nanowires irradiated with
relativistic intensities: Scaling to terabar pressures
SO SCIENCE ADVANCES
LA English
DT Article
ID LASER-PULSES; PLASMAS; TARGETS
AB Ultrahigh-energy density (UHED) matter, characterized by energy densities >1 x 10(8) J cm(-3) and pressures greater than a gigabar, is encountered in the center of stars and inertial confinement fusion capsules driven by the world's largest lasers. Similar conditions can be obtained with compact, ultrahigh contrast, femtosecond lasers focused to relativistic intensities onto targets composed of aligned nanowire arrays. We report the measurement of the key physical process in determining the energy density deposited in high-aspect-ratio nanowire array plasmas: the energy penetration. By monitoring the x-ray emission from buried Co tracer segments in Ni nanowire arrays irradiated at an intensity of 4x10(19) W cm(-2), we demonstrate energy penetration depths of several micrometers, leading to UHED plasmas of that size. Relativistic three-dimensional particle-in-cell simulations, validated by these measurements, predict that irradiation of nanostructures at intensities of >1 x 10(22) W cm(-2) will lead to a virtually unexplored extreme UHED plasma regime characterized by energy densities in excess of 8 x 10(10) J cm-3, equivalent to a pressure of 0.35 Tbar.
C1 [Bargsten, Clayton; Hollinger, Reed; Wang, Shoujun; Wang, Yong; Shlyaptsev, Vyacheslav N.; Rocca, Jorge J.] Colorado State Univ, Dept Elect & Comp Engn, Ft Collins, CO 80523 USA.
[Capeluto, Maria Gabriela] Univ Buenos Aires, Dept Fis, Buenos Aires, DF, Argentina.
[Kaymak, Vural; Pukhov, Alexander] Heinrich Heine Univ Dusseldorf, Inst Theoret Phys, D-40225 Dusseldorf, Germany.
[Rockwood, Alex; Keiss, David; Rocca, Jorge J.] Colorado State Univ, Dept Phys, Ft Collins, CO 80523 USA.
[Tommasini, Riccardo; London, Richard; Park, Jaebum] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
[Busquet, Michel; Klapisch, Marcel] ARTEP Inc, Ellicott City, MD 21042 USA.
RP Rocca, JJ (reprint author), Colorado State Univ, Dept Elect & Comp Engn, Ft Collins, CO 80523 USA.; Rocca, JJ (reprint author), Colorado State Univ, Dept Phys, Ft Collins, CO 80523 USA.
EM jorge.rocca@colostate.edu
RI Tommasini, Riccardo/A-8214-2009;
OI Tommasini, Riccardo/0000-0002-1070-3565; Capeluto,
Maria/0000-0002-9569-6076
FU High Energy Density Laboratory Plasmas program, Fusion Energy Sciences,
Office of Science of the U.S. Department of Energy [DE-SC0014610];
Defense Threat Reduction Agency [HDTRA-1-10-1-0079]; U.S. Department of
Energy [DE-AC52-07NA27344]
FX This work was funded by the High Energy Density Laboratory Plasmas
program, Fusion Energy Sciences, Office of Science of the U.S.
Department of Energy (grant DE-SC0014610), and a previous grant from the
Defense Threat Reduction Agency (grant HDTRA-1-10-1-0079). The work of
Lawrence Livermore National Laboratory researchers was performed under
the auspices of the U.S. Department of Energy under contract no.
DE-AC52-07NA27344.
NR 38
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PU AMER ASSOC ADVANCEMENT SCIENCE
PI WASHINGTON
PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA
SN 2375-2548
J9 SCI ADV
JI Sci. Adv.
PD JAN
PY 2017
VL 3
IS 1
AR e1601558
DI 10.1126/sciadv.1601558
PG 8
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA EK2XI
UT WOS:000393789900019
ER
PT J
AU Coleman, R
Lemire, SW
Bragg, W
Garrett, A
Ojeda-Torres, G
Hamelin, E
Johnson, RC
Thomas, J
AF Coleman, Rebecca
Lemire, Sharon W.
Bragg, William
Garrett, Alaine
Ojeda-Torres, Geovannie
Hamelin, Elizabeth
Johnson, Rudolph C.
Thomas, Jerry
TI Development and validation of a high-throughput online solid phase
extraction - Liquid chromatography - Tandem mass spectrometry method for
the detection of tetrodotoxin in human urine (vol 119, pg 64, 2016)
SO TOXICON
LA English
DT Correction
C1 [Coleman, Rebecca; Lemire, Sharon W.; Bragg, William; Garrett, Alaine; Ojeda-Torres, Geovannie; Hamelin, Elizabeth; Johnson, Rudolph C.; Thomas, Jerry] Ctr Dis Control & Prevent CDC, Natl Biodef Anal & Countermeasures Ctr, Oak Ridge Inst Sci & Educ, Atlanta, GA 30329 USA.
RP Hamelin, E (reprint author), Ctr Dis Control & Prevent CDC, Natl Biodef Anal & Countermeasures Ctr, Oak Ridge Inst Sci & Educ, Atlanta, GA 30329 USA.
EM eph3@cdc.gov
NR 1
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PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0041-0101
J9 TOXICON
JI Toxicon
PD JAN
PY 2017
VL 125
BP 120
EP 120
DI 10.1016/j.toxicon.2016.10.015
PG 1
WC Pharmacology & Pharmacy; Toxicology
SC Pharmacology & Pharmacy; Toxicology
GA EJ0JY
UT WOS:000392895800017
PM 27951505
ER
PT J
AU Erdemir, A
AF Erdemir, Ali
TI Come on board!
SO TRIBOLOGY & LUBRICATION TECHNOLOGY
LA English
DT Editorial Material
C1 [Erdemir, Ali] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Erdemir, A (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM erdemir@anl.gov
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PU SOC TRIBOLOGISTS & LUBRICATION ENGINEERS
PI PARK RIDGE
PA 840 BUSSE HIGHWAY, PARK RIDGE, IL 60068 USA
SN 1545-858X
J9 TRIBOL LUBR TECHNOL
JI Tribol. Lubr. Technol.
PD JAN
PY 2017
VL 73
IS 1
BP 4
EP 4
PG 1
WC Engineering, Mechanical
SC Engineering
GA EG4AO
UT WOS:000390986000001
ER
PT J
AU Harrington, LB
Jha, RK
Kern, TL
Schmidt, EN
Canales, GM
Finney, KB
Koppisch, AT
Strauss, CEM
Fox, DT
AF Harrington, Lucas B.
Jha, Ramesh K.
Kern, Theresa L.
Schmidt, Emily N.
Canales, Gustavo M.
Finney, Kellan B.
Koppisch, Andrew T.
Strauss, Charlie E. M.
Fox, David T.
TI Rapid Thermostabilization of Bacillus thuringiensis Serovar Konkukian
97-27 Dehydroshikimate Dehydratase through a Structure-Based Enzyme
Design and Whole Cell Activity Assay
SO ACS SYNTHETIC BIOLOGY
LA English
DT Article
DE thermostabilization; shikimate pathway; flow cytometry; enzyme
engineering; commodity chemicals
ID PROTOCATECHUATE 3,4-DIOXYGENASE; 3-DEHYDROSHIKIMATE DEHYDRATASE;
PETROBACTIN BIOSYNTHESIS; PSEUDOMONAS-PUTIDA; ESCHERICHIA-COLI; ACID;
ANTHRACIS; IRON; PURIFICATION; SUBUNIT
AB Thermostabilization of an enzyme with complete retention of catalytic efficiency was demonstrated on recombinant 3-dehydroshikimate dehydratase (DHSase or wtAsbF) from Bacillus thuringiensis serovar konkukian 9727 (hereafter, B. thuringiensis 9727). The wtAsbF is relatively unstable at 37 degrees C, in vitro (t(1/2)(37) = 15 min), in the absence of divalent metal. We adopted a structure-based design to identify stabilizing mutations and created a combinatorial library based upon predicted mutations at specific locations on the enzyme surface. A diversified asbF library (similar to 2000 variants) was expressed in E. coli harboring a green fluorescent protein (GFP) reporter system linked to the product of wtAsbF activity (3,4-dihydroxybenzoate, DHB). Mutations detrimental to DHSase function were rapidly eliminated using a high throughput fluorescence activated cell sorting (FACS) approach. After a single sorting round and heat screen at 50 degrees C, a triple AsbF mutant (Mut1), T61N, H135Y, and H257P, was isolated and characterized. The half-life of Mut1 at 37 degrees C was >10-fold higher than the wtAsbF (t(1/2)(37) = 169 min). Further, the second-order rate constants for both wtAsbF and Mut1 were approximately equal (9.9 x 10(5) M-1 s(-1), 7.8 x 10(5) M-1 s(-1), respectively), thus demonstrating protein thermostability did not come at the expense of enzyme thermophilicity. In addition, in vivo overexpression of Mut1 in E. coli resulted in a similar to 60-fold increase in functional enzyme when compared to the wild-type enzyme under the identical expression conditions. Finally, overexpression of the thermostable AsbF resulted in an approximate 80-120% increase in DHB accumulation in the media relative to the wild-type enzyme.
C1 [Harrington, Lucas B.; Jha, Ramesh K.; Kern, Theresa L.; Schmidt, Emily N.; Strauss, Charlie E. M.] Los Alamos Natl Lab, Biosci Div, POB 1663,MS M888, Los Alamos, NM 87545 USA.
[Canales, Gustavo M.; Finney, Kellan B.; Koppisch, Andrew T.] No Arizona Univ, Dept Chem, POB 5698, Flagstaff, AZ 86001 USA.
[Fox, David T.] Los Alamos Natl Lab, Div Chem, POB 1663,MS E554, Los Alamos, NM 87545 USA.
EM andy.koppisch@nau.edu; cems@lanl.gov; dfox@lanl.gov
OI Jha, Ramesh/0000-0001-5904-3441
FU Los Alamos National Laboratory under the U.S. Department of Energy,
Laboratory Directed Research and Development grant [LDRD ER20100182ER];
Office of Energy Efficiency & Renewable Energy, Bioenergy Technologies
Office Annual Operating Plan; DOE Summer Undergraduate Laboratory
Internships (SULI) program; Defense Threat Reduction Agency
[CBCALL12-LS-6-0622]; LANL Institutional Computing [W13_SynBio]; NAU
College of Forestry, Natural Science and Engineering Dean's office;
Initiative to Maximize Student Development in the Biomedical Sciences
[NIH- 5R25GM056931]
FX D.T.F. was supported in this work by the Los Alamos National Laboratory
under the U.S. Department of Energy, Laboratory Directed Research and
Development grant [LDRD ER20100182ER] and Office of Energy Efficiency &
Renewable Energy, Bioenergy Technologies Office Annual Operating Plan.
L.H. was supported by the DOE Summer Undergraduate Laboratory
Internships (SULI) program. R.K.J and C.E.M.S were supported by the
Defense Threat Reduction Agency [CBCALL12-LS-6-0622]. Computational work
was supported by the LANL Institutional Computing grant [W13_SynBio].
A.T.K. was supported in this work by the NAU College of Forestry,
Natural Science and Engineering Dean's office through faculty startup
funding, and G.C. was supported by grant NIH- 5R25GM056931, Initiative
to Maximize Student Development in the Biomedical Sciences. We thank
Drs. Ron Jacak and Brian Kuhlman (UNC Chapel Hill) for Rosetta point
mutation scan (p_mut scan) protocol and Dr. Dung Vu (LANL) for
assistance with the circular dichroism experiments.
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PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2161-5063
J9 ACS SYNTH BIOL
JI ACS Synth. Biol.
PD JAN
PY 2017
VL 6
IS 1
BP 120
EP 129
DI 10.1021/acssynbio.6b00159
PG 10
WC Biochemical Research Methods
SC Biochemistry & Molecular Biology
GA EI5ZV
UT WOS:000392575700014
PM 27548779
ER
PT J
AU Yuzawa, S
Deng, K
Wang, G
Baidoo, EEK
Northen, TR
Adams, PD
Katz, L
Keasling, JD
AF Yuzawa, Satoshi
Deng, Kai
Wang, George
Baidoo, Edward E. K.
Northen, Trent R.
Adams, Paul D.
Katz, Leonard
Keasling, Jay D.
TI Comprehensive in Vitro Analysis of Acyltransferase Domain Exchanges in
Modular Polyketide Synthases and Its Application for Short-Chain Ketone
Production
SO ACS SYNTHETIC BIOLOGY
LA English
DT Article
DE Type I modular polyketide synthase; acyltransferase domain; substrate
specificity; protein engineering; synthetic biology tool
ID ESCHERICHIA-COLI; SUBSTRATE-SPECIFICITY; 6-DEOXYERYTHRONOLIDE-B
SYNTHASE; ERYTHROMYCIN DERIVATIVES; MECHANISTIC ANALYSIS; E. COLI;
BIOSYNTHESIS; PATHWAY; BIOFUELS; ACIDS
AB Type I modular polyketide synthases (PKSs) are polymerases that utilize acyl-CoAs as substrates. Each polyketide elongation reaction is catalyzed by a set of protein domains called a module. Each module usually contains an acyltransferase (AT) domain, which determines the specific acyl-CoA incorporated into each condensation reaction. Although a successful exchange of individual AT domains can lead to the biosynthesis of a large variety of novel compounds, hybrid PKS modules often show significantly decreased activities. Using monomodular PKSs as models, we have systematically analyzed the segments of AT domains and associated linkers in AT exchanges in vitro and have identified the boundaries within a module that can be used to exchange AT domains while maintaining protein stability and enzyme activity. Importantly, the optimized domain boundary is highly conserved, which facilitates AT domain replacements in most type I PKS modules. To further demonstrate the utility of the optimized AT domain boundary, we have constructed hybrid PKSs to produce industrially important short-chain ketones. Our in vitro and in vivo analysis demonstrated production of predicted ketones without significant loss of activities of the hybrid enzymes. These results greatly enhance the mechanistic understanding of PKS modules and prove the benefit of using engineered PKSs as a synthetic biology tool for chemical production.
C1 [Yuzawa, Satoshi; Katz, Leonard; Keasling, Jay D.] Univ Calif Berkeley, Inst QB3, Berkeley, CA 94720 USA.
[Adams, Paul D.; Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA.
[Keasling, Jay D.] Univ Calif Berkeley, Dept Biomol & Chem Engn, Berkeley, CA 94720 USA.
[Deng, Kai; Wang, George; Baidoo, Edward E. K.; Northen, Trent R.; Adams, Paul D.; Keasling, Jay D.] Joint BioEnergy Inst, Emeryville, CA 94608 USA.
[Deng, Kai] Sandia Natl Labs, Livermore, CA 94551 USA.
[Northen, Trent R.] Lawrence Berkeley Natl Lab, Environm Genom & Syst Biol Div, Berkeley, CA 94720 USA.
[Adams, Paul D.] Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, Berkeley, CA 94720 USA.
[Keasling, Jay D.] Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA.
[Katz, Leonard; Keasling, Jay D.] Synthet Biol Res Ctr, Emeryville, CA 94608 USA.
[Keasling, Jay D.] Tech Univ Denmark, Novo Nordisk Fdn Ctr Biosustainabil, Kogle Alle, DK-2970 Horsholm, Denmark.
EM yuzawa@berkeley.edu; keasling@berkeley.edu
FU Defense Advanced Research Projects Agency (DARPA), U.S. Department of
Defense [HR001148071]; National Science Foundation [MCB-1341894,
EEC-0540879]; Joint BioEnergy Institute - U.S. Department of Energy,
Office of Science, Office of Biological and Environmental Research
[DEAC02-05CH11231]
FX We thank Ryan Phelan and Samuel Deutsch for providing synthetic DNA.
This work was funded by the Defense Advanced Research Projects Agency
(DARPA), U.S. Department of Defense, via Award HR001148071, by the
National Science Foundation, via Awards MCB-1341894 and EEC-0540879 to
the Synthetic Biology Engineering Research Center, and by the Joint
BioEnergy Institute, which is funded by the U.S. Department of Energy,
Office of Science, Office of Biological and Environmental Research,
under Contract DEAC02-05CH11231.
NR 48
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U1 10
U2 10
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2161-5063
J9 ACS SYNTH BIOL
JI ACS Synth. Biol.
PD JAN
PY 2017
VL 6
IS 1
BP 139
EP 147
DI 10.1021/acssynbio.6b00176
PG 9
WC Biochemical Research Methods
SC Biochemistry & Molecular Biology
GA EI5ZV
UT WOS:000392575700016
PM 27548700
ER
PT J
AU Phelan, RM
Sachs, D
Petkiewicz, SJ
Barajas, JF
Blake-Hedges, JM
Thompson, MG
Apel, AR
Rasor, BJ
Katz, L
Keasling, JD
AF Phelan, Ryan M.
Sachs, Daniel
Petkiewicz, Shayne J.
Barajas, Jesus F.
Blake-Hedges, Jacquelyn M.
Thompson, Mitchell G.
Apel, Amanda Reider
Rasor, Blake J.
Katz, Leonard
Keasling, Jay D.
TI Development of Next Generation Synthetic Biology Tools for Use in
Streptomyces venezuelae
SO ACS SYNTHETIC BIOLOGY
LA English
DT Article
DE streptomyces; bisabolene; fluorescent protein; promoter
ID ESCHERICHIA-COLI; GENE-EXPRESSION; ENGINEERED PRODUCTION; FLUORESCENT
PROTEIN; CLONING VECTORS; FATTY-ACIDS; GENOME; REPORTER; SYSTEM; SITE
AB Streptomyces have a rich history as producers of important natural products and this genus of bacteria has recently garnered attention for its potential applications in the broader context of synthetic biology. However, the dearth of genetic tools available to control and monitor protein production precludes rapid and predictable metabolic engineering that is possible in hosts such as Escherichia coli or Saccharomyces cerevisiae. In an effort to improve genetic tools for Streptomyces venezuelae, we developed a suite of standardized, orthogonal integration vectors and an improved method to monitor protein production in this host. These tools were applied to characterize heterologous promoters and various attB chromosomal integration sites. A final study leveraged the characterized toolset to demonstrate its use in producing the biofuel precursor bisabolene using a chromosomally integrated expression system. These tools advance S. venezuelae to be a practical host for future metabolic engineering efforts.
C1 [Phelan, Ryan M.; Sachs, Daniel; Petkiewicz, Shayne J.; Barajas, Jesus F.; Apel, Amanda Reider; Keasling, Jay D.] Joint Bioenergy Inst, 5885 Hollis St, Emeryville, CA 94608 USA.
[Phelan, Ryan M.; Katz, Leonard; Keasling, Jay D.] Univ Calif Berkeley, Inst QB3, Berkeley, CA 94270 USA.
[Blake-Hedges, Jacquelyn M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94270 USA.
[Thompson, Mitchell G.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94270 USA.
[Keasling, Jay D.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94270 USA.
[Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94270 USA.
[Rasor, Blake J.] Miami Univ, Dept Biol, 212 Pearson Hall, Oxford, OH 45046 USA.
[Keasling, Jay D.] Tech Univ Denmark, Novo Nordisk Fdn Ctr Biosustainabil, Kogle Alle, DK-2970 Horsholm, Denmark.
EM keasling@berkeley.edu
FU National Science Foundation Catalysis and Biocatalysis Program
[CBET-1437775]; Department of Energy EERE Annual Operating Plan
[BM0101020-05450-1004171/Agreement 28712/DE-AC02-05C11231]; DOE Joint
BioEnergy Institute - US Department of Energy, Office of Science, Office
of Biological and Environmental Research [DE-AC02-05CH11231]
FX We would like to acknowledge W. Moore for assistance in microscopy
studies. This work was funded by the National Science Foundation
Catalysis and Biocatalysis Program (CBET-1437775), the Department of
Energy EERE Annual Operating Plan (BM0101020-05450-1004171/Agreement
28712/DE-AC02-05C11231), and by the DOE Joint BioEnergy Institute
(http://www.jbei.org), which is supported by the US Department of
Energy, Office of Science, Office of Biological and Environmental
Research, through Contract DE-AC02-05CH11231 between Lawrence Berkeley
National Laboratory and the U.S. Department of Energy.
NR 50
TC 0
Z9 0
U1 7
U2 7
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2161-5063
J9 ACS SYNTH BIOL
JI ACS Synth. Biol.
PD JAN
PY 2017
VL 6
IS 1
BP 159
EP 166
DI 10.1021/acssynbio.6b00202
PG 8
WC Biochemical Research Methods
SC Biochemistry & Molecular Biology
GA EI5ZV
UT WOS:000392575700018
PM 27605473
ER
PT J
AU Carpenter, D
Westover, T
Howe, D
Deutch, S
Starace, A
Emerson, R
Hernandez, S
Santosa, D
Lukins, C
Kutnyakov, I
AF Carpenter, Daniel
Westover, Tyler
Howe, Daniel
Deutch, Steve
Starace, Anne
Emerson, Rachel
Hernandez, Sergio
Santosa, Daniel
Lukins, Craig
Kutnyakov, Igor
TI Catalytic hydroprocessing of fast pyrolysis oils: Impact of biomass
feedstock on process efficiency
SO BIOMASS & BIOENERGY
LA English
DT Article
DE Biofuels; Fast pyrolysis; Catalytic hydrodeoxygenation; Hydrotreating
ID BIO-OIL; LIGNOCELLULOSIC FEEDSTOCKS; FUEL; QUALITY; PERSPECTIVE;
PRODUCTS; YIELD
AB We report here on an experimental study to produce refinery-ready fuel blendstocks via catalytic hydrodeoxygenation (upgrading) of pyrolysis oil using several biomass feedstocks and various blends. Blends were tested along with the pure materials to determine the effect of blending on product yields and qualities. Within experimental error, oil yields from fast pyrolysis and upgrading are shown to be linear functions of the blend components. Switchgrass exhibited lower fast pyrolysis and upgrading yields than the woody samples, which included clean pine, oriented strand board (OSB), and a mix of pinon and juniper (PJ). The notable exception was PJ, for which the poor upgrading yield of 18% was likely associated with the very high viscosity of the PJ fast pyrolysis oil (947 cp). The highest fast pyrolysis yield (54% dry basis) was obtained from clean pine, while the highest upgrading yield (50%) was obtained from a blend of 80% clean pine and 20% OSB (CP8OSB2). For switchgrass, reducing the fast pyrolysis temperature to 450 degrees C resulted in a significant increase to the pyrolysis oil yield and reduced hydrogen consumption during hydrotreating, but did not directly affect the hydrotreating oil yield. The water content of fast pyrolysis oils was also observed to increase linearly with the summed content of potassium and sodium, ranging from 21% for clean pine to 37% for switchgrass. Multiple linear regression models demonstrate that fast pyrolysis is strongly dependent upon the contents of lignin and volatile matter as well as the sum of potassium and sodium. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Carpenter, Daniel; Deutch, Steve; Starace, Anne] Natl Renewable Energy Lab, 16253 Denver West Pkwy, Golden, CO 80401 USA.
[Westover, Tyler; Emerson, Rachel; Hernandez, Sergio] Idaho Natl Lab, 2525 Fremont Ave, Idaho Falls, ID 83415 USA.
[Howe, Daniel; Santosa, Daniel; Lukins, Craig; Kutnyakov, Igor] Pacific Northwest Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA.
EM daniel.carpenter@nrel.gov
FU U.S. Department of Energy [DE-AC36-08GO28308]; National Renewable Energy
Laboratory [DE-AC07-05ID14517]; Idaho National Laboratory; Pacific
Northwest National Laboratory [DE-AC05-76RL01830]; U.S. DOE Office of
Energy Efficiency and Renewable Energy's Bioenergy Technologies Office
FX This work was supported by the U.S. Department of Energy under Contract
Nos. DE-AC36-08GO28308 with the National Renewable Energy Laboratory,
DE-AC07-05ID14517 with Idaho National Laboratory, and DE-AC05-76RL01830
with Pacific Northwest National Laboratory. Funding was provided by U.S.
DOE Office of Energy Efficiency and Renewable Energy's Bioenergy
Technologies Office. The U.S Government retains and the publisher, by
accepting the article for publication, acknowledges that the U.S.
Government retains a non-exclusive, paid-up, irrevocable, worldwide
license to publish or reproduce the published form of this manuscript,
or allow others to do so, for U.S. Government purposes. The authors
thank Rick French, Kelly Orton, and Scott Palmer for 2FBR operations;
Stuart Black and Michele Myers for pyrolysis oil analysis, Kailee Potter
for biomass compositional analysis, and David Lee for biomass particle
size analysis.
NR 26
TC 0
Z9 0
U1 3
U2 3
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0961-9534
EI 1873-2909
J9 BIOMASS BIOENERG
JI Biomass Bioenerg.
PD JAN
PY 2017
VL 96
BP 142
EP 151
DI 10.1016/j.biombioe.2016.09.012
PG 10
WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy &
Fuels
SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels
GA EI7KS
UT WOS:000392677200016
ER
PT J
AU Boswell, R
Schoderbek, D
Collett, TS
Ohtsuki, S
White, M
Anderson, BJ
AF Boswell, Ray
Schoderbek, David
Collett, Timothy S.
Ohtsuki, Satoshi
White, Mark
Anderson, Brian J.
TI The Inik Sikumi Field Experiment, Alaska North Slope: Design,
Operations, and Implications for CO2-CH4 Exchange in Gas Hydrate
Reservoirs
SO ENERGY & FUELS
LA English
DT Article
ID STRATIGRAPHIC TEST WELL; CARBON-DIOXIDE; METHANE-HYDRATE;
PHASE-EQUILIBRIA; NANKAI TROUGH; CO2; SIMULATION; MODEL; LOG
AB The Ignik Sikumi Gas Hydrate Exchange Field Experiment was conducted by ConocoPhillips in partnership with the U.S. Department of Energy, the Japan Oil, Gas and Metals National Corporation, and the U.S. Geological Survey within the Prudhoe Bay Unit on the Alaska North Slope during 2011 and 2012. The primary goals of the program were to (1) determine the feasibility of gas injection into hydrate-bearing sand reservoirs and (2) observe reservoir response upon subsequent flowback in order to assess the potential for CO2 exchange for CH4 in naturally occurring gas hydrate reservoirs. Initial modeling determined that no feasible means of injection of pure CO2 was likely, given the presence of free water in the reservoir. Laboratory and numerical modeling studies indicated that the injection of a mixture of CO2 and N-2 offered the best potential for gas injection and exchange. The test featured the following primary operational phases: (1) injection of a gaseous phase mixture of CO2, N-2, and chemical tracers; (2) flowback conducted at downhole pressures above the stability threshold for native CH4 hydrate; and (3) an extended (30-days) flowback at pressures near, and then below, the stability threshold of native CH4 hydrate. The test findings indicate that the formation of a range of mixed-gas hydrates resulted in a net exchange of CO2 for CH4 in the reservoir, although the complexity of the subsurface environment renders the nature, extent, and efficiency of the exchange reaction uncertain. The next steps in the evaluation of exchange technology should feature multiple well applications; however, such field test programs will require extensive preparatory experimental and numerical modeling studies and will likely be a secondary priority to further field testing of production through depressurization. Additional insights gained from the field program include the following: (1) gas hydrate destabilization is self-limiting, dispelling any notion of the potential for uncontrolled destabilization; (2) gas hydrate test wells must be carefully designed to enable rapid reinediation of wellbore blockages that will occur during any cessation in operations; (3) sand production during hydrate production likely can be managed through standard engineering controls; and (4) reservoir heat exchange during depressurization was more favorable than expected mitigating concerns for near-wellbore freezing and enabling consideration of more aggressive pressure reduction.
C1 [Boswell, Ray] Natl Energy Technol Lab, Pittsburgh, PA 15129 USA.
[Schoderbek, David] Conoco Phillips, Anchorage, AK 99501 USA.
[Collett, Timothy S.] US Geol Survey, Denver, CO 80225 USA.
[Ohtsuki, Satoshi] Japan Oil Gas & Met Natl Corp, Chiba 2610025, Japan.
[White, Mark] Pacific Northwest Natl Lab, Richland, WA 99354 USA.
[Anderson, Brian J.] West Virginia Univ, Morgantown, WV 26506 USA.
[Schoderbek, David] BP Amer, Houston, TX USA.
EM ray.boswell@netl.doe.gov
FU U.S. Department of Energy, National Energy Technology Laboratory; Japan
Oil, Gas and Metals National Corporation through support of the Ministry
of Economy, Trade and Industry; Department of Energy, Office of Science,
Basic Energy Sciences; ConocoPhillips Alaska, Inc.
FX The authors wish to acknowledge those many members of the ConocoPhillips
team that designed and implemented the Ignik Sikumi field project.
Funding for the project was provided by the U.S. Department of Energy,
National Energy Technology Laboratory; The Japan Oil, Gas and Metals
National Corporation through support of the Ministry of Economy, Trade
and Industry; the Department of Energy, Office of Science, Basic Energy
Sciences; and ConocoPhillips Alaska, Inc. Any use of trade, firm, or
product names is for descriptive purposes only and does not imply
endorsement by the U.S. Government.
NR 41
TC 1
Z9 1
U1 6
U2 6
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0887-0624
EI 1520-5029
J9 ENERG FUEL
JI Energy Fuels
PD JAN
PY 2017
VL 31
IS 1
BP 140
EP 153
DI 10.1021/acs.energyfuels.6b01909
PG 14
WC Energy & Fuels; Engineering, Chemical
SC Energy & Fuels; Engineering
GA EI5SB
UT WOS:000392553800012
ER
PT J
AU Garitte, B
Shao, H
Wang, XR
Nguyen, TS
Li, Z
Rutqvist, J
Birkholzer, J
Wang, WQ
Kolditz, O
Pan, PZ
Feng, XT
Lee, C
Graupner, BJ
Maekawa, K
Manepally, C
Dasgupta, B
Stothoff, S
Ofoegbu, G
Fedors, R
Barnichon, JD
AF Garitte, B.
Shao, H.
Wang, X. R.
Nguyen, T. S.
Li, Z.
Rutqvist, J.
Birkholzer, J.
Wang, W. Q.
Kolditz, O.
Pan, P. Z.
Feng, X. T.
Lee, C.
Graupner, B. J.
Maekawa, K.
Manepally, C.
Dasgupta, B.
Stothoff, S.
Ofoegbu, G.
Fedors, R.
Barnichon, J. D.
TI Evaluation of the predictive capability of coupled
thermo-hydro-mechanical models for a heated bentonite/clay system (HE-E)
in the Mont Terri Rock Laboratory
SO Environmental Earth Sciences
LA English
DT Article
DE Mont Terri; Clay rock; Bentonite; Heater experiment; Coupled THM
processes; DECOVALEX
ID THM PROCESSES; REPOSITORY; BEHAVIOR
AB Process understanding and parameter identification using numerical methods based on experimental findings are key aspects of the international cooperative project DECOVALEX (DEvelopment of COupled models and their VALidation against Experiments http://www.decovalex.org). Comparing the long-term predictions from numerical models against experimental results increases confidence in the site selection and site evaluation process for a radioactive waste repository in deep geological formations. In the present phase of the project, DECOVALEX2015, eight research teams have developed and applied models for simulating the HE-E in situ heater experiment in the Opalinus Clay in the Mont Terri Rock Laboratory in Switzerland. The modelling task was divided into two study stages, related to prediction and interpretation of the experiment. A blind prediction of the HE-E experiment was performed based on calibrated parameter values for both the Opalinus Clay, which were derived from the modelling of another in situ experiment (HE-D experiment in the Mont Terri Rock Laboratory), and calibrated parameters for MX80 granular bentonite and a sand/bentonite mixture, which were derived from modelling of laboratory column tests. After publication of the HE-E experimental data, additional functions for coupled processes were analysed and considered in the different models. Moreover, parameter values were varied to interpret the measured temperature, relative humidity and pore pressure evolution. Generally, the temperature field can be well reproduced and is mainly controlled by thermal conductivity in the heat conduction process; the thermal conductivities of buffer materials and Opalinus Clay strongly depend on the degree of water saturation. The distribution of relative humidity is acceptable as it is reproduced by using both the Richards' flow model and the multiphase flow model. Important here is to consider the vapour diffusion process. The analysis of the predictive and interpretative modelling confirms that the main processes in the system have been understood at least for the short-term experimental duration and captured using the models developed and associated parameters with respect to the thermal and hydraulic aspects in the high-level nuclear waste disposal in clay formations. The additional experimental results will help to increase confidence in the THM models and in process understanding.
C1 [Garitte, B.] Natl Cooperat Disposal Radioact Waste NAGRA, Wettingen, Switzerland.
[Shao, H.; Wang, X. R.] Fed Inst Geosci & Nat Resources BGR, Hannover, NH, Germany.
[Nguyen, T. S.; Li, Z.] Canadian Nucl Safety Commiss CNSC, Ottawa, ON, Canada.
[Rutqvist, J.; Birkholzer, J.] Lawrence Berkeley Natl Lab LBNL, Berkeley, CA USA.
[Wang, W. Q.; Kolditz, O.] UFZ Helmholtz Ctr Environm Res, Leipzig, Germany.
[Pan, P. Z.; Feng, X. T.] Chinese Acad Sci, Inst Rock & Soil Mech, State Key Lab Geomech & Geotech Engn, Wuhan, Peoples R China.
[Lee, C.] Korea Atom Energy Res Inst KAERI, Daejeon, South Korea.
[Graupner, B. J.] Swiss Fed Nucl Safety Inspectorate ENSI, Brugg, Switzerland.
[Maekawa, K.] Japan Atom Energy Agcy JAEA, Tokyo, Japan.
[Manepally, C.; Dasgupta, B.; Stothoff, S.; Ofoegbu, G.] Ctr Nucl Waste Regulatory Anal CNWRA, San Antonio, TX USA.
[Fedors, R.] Nucl Regulatory Commiss NRC, Rockville, MD USA.
[Barnichon, J. D.] Inst Radiol Protect & Nucl Safety IRSN, Fontenay Aux Roses, France.
RP Shao, H (reprint author), Fed Inst Geosci & Nat Resources BGR, Hannover, NH, Germany.
EM shao@bgr.de
RI Birkholzer, Jens/C-6783-2011
OI Birkholzer, Jens/0000-0002-7989-1912
FU Funding Organisations of the DECOVALEX-project; National Natural Science
Foundation of China [51322906, 41272349]
FX The members of Task B1 express their thanks for the financial support
provided by the Funding Organisations of the DECOVALEX-2015 project and
for measured data from experiments supplied by the EU-PEBS project. CAS
team's work was finically supported by National Natural Science
Foundation of China (Nos. 51322906, 41272349).
NR 38
TC 0
Z9 0
U1 6
U2 6
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1866-6280
EI 1866-6299
J9 ENVIRON EARTH SCI
JI Environ. Earth Sci.
PD JAN
PY 2017
VL 76
IS 2
AR 64
DI 10.1007/s12665-016-6367-x
PG 18
WC Environmental Sciences; Geosciences, Multidisciplinary; Water Resources
SC Environmental Sciences & Ecology; Geology; Water Resources
GA EJ2DZ
UT WOS:000393021400006
ER
PT J
AU Huang, HT
Barzyk, TM
AF Huang, Hongtai
Barzyk, Timothy M.
TI Connecting the Dots: Linking Environmental Justice Indicators to Daily
Dose Model Estimates
SO INTERNATIONAL JOURNAL OF ENVIRONMENTAL RESEARCH AND PUBLIC HEALTH
LA English
DT Article
DE environmental justice; risk assessment; multiple stressors; dose
estimates
ID CUMULATIVE RISK-ASSESSMENT; AIR TOXICS EXPOSURES; UNITED-STATES;
NONCHEMICAL STRESSORS; SOCIAL VULNERABILITY; SCREENING METHOD;
CANCER-RISK; POLLUTION; HEALTH; DISPARITIES
AB Many different quantitative techniques have been developed to either assess Environmental Justice (EJ) issues or estimate exposure and dose for risk assessment. However, very few approaches have been applied to link EJ factors to exposure dose estimate and identify potential impacts of EJ factors on dose-related variables. The purpose of this study is to identify quantitative approaches that incorporate conventional risk assessment (RA) dose modeling and cumulative risk assessment (CRA) considerations of disproportionate environmental exposure. We apply the Average Daily Dose (ADD) model, which has been commonly used in RA, to better understand impacts of EJ indicators upon exposure dose estimates and dose-related variables, termed the Environmental-Justice-Average-Daily-Dose (EJ-ADD) approach. On the U.S. nationwide census tract-level, we defined and quantified two EJ indicators (poverty and race/ethnicity) using an EJ scoring method to examine their relation to census tract-level multi-chemical exposure dose estimates. Pollutant doses for each tract were calculated using the ADD model, and EJ scores were assigned to each tract based on poverty-or race-related population percentages. Single-and multiple-chemical ADD values were matched to the tract-level EJ scores to analyze disproportionate dose relationships and contributing EJ factors. We found that when both EJ indicators were examined simultaneously, ADD for all pollutants generally increased with larger EJ scores. To demonstrate the utility of using EJ-ADD on the local scale, we approximated ADD levels of lead via soil/dust ingestion for simulated communities with different EJ-related scenarios. The local-level simulation indicates a substantial difference in exposure-dose levels between wealthy and EJ communities. The application of the EJ-ADD approach can link EJ factors to exposure dose estimate and identify potential EJ impacts on dose-related variables.
C1 [Huang, Hongtai] US EPA, ORISE, Natl Exposure Res Lab, 109 TW Alexander Dr, Res Triangle Pk, NC 27711 USA.
[Huang, Hongtai; Barzyk, Timothy M.] US EPA, Natl Exposure Res Lab, 109 TW Alexander Dr, Res Triangle Pk, NC 27711 USA.
EM Huang.Hongtai@epa.gov; Barzyk.Timothy@epa.gov
FU Postdoctoral Research Program at the (National Exposure Research
Laboratory, Research Triangle Park)
FX This research was supported in part by an appointment to the
Postdoctoral Research Program at the (National Exposure Research
Laboratory, Research Triangle Park) administered by the Oak Ridge
Institute for Science and Education through Interagency Agreement
between the U.S. Department of Energy and the U.S. Environmental
Protection Agency. We thank Jane Ellen Simmons for her comments and
suggestion.
NR 63
TC 0
Z9 0
U1 5
U2 5
PU MDPI AG
PI BASEL
PA ST ALBAN-ANLAGE 66, CH-4052 BASEL, SWITZERLAND
SN 1660-4601
J9 INT J ENV RES PUB HE
JI Int. J. Environ. Res. Public Health
PD JAN
PY 2017
VL 14
IS 1
AR 24
DI 10.3390/ijerph14010024
PG 15
WC Environmental Sciences; Public, Environmental & Occupational Health
SC Environmental Sciences & Ecology; Public, Environmental & Occupational
Health
GA EI6AU
UT WOS:000392578200024
ER
PT J
AU Odziomek, K
Ushizima, D
Oberbek, P
Kurzydlowski, KJ
Puzyn, T
Haranczyk, M
AF Odziomek, Katarzyna
Ushizima, Daniela
Oberbek, Przemyslaw
Kurzydlowski, Krzysztof Jan
Puzyn, Tomasz
Haranczyk, Maciej
TI Scanning electron microscopy image representativeness: morphological
data on nanoparticles
SO JOURNAL OF MICROSCOPY
LA English
DT Article
DE Ceramics; nanoparticles; representativeness
ID UHMWPE WEAR PARTICLES; QUANTITATIVE-ANALYSIS; FRACTAL DESCRIPTORS;
ARTIFICIAL HIP; SHAPE; NANO; MICROGRAPHS; SIZE; NANOSTRUCTURES;
CLASSIFICATION
AB A sample of a nanomaterial contains a distribution of nanoparticles of various shapes and/or sizes. A scanning electron microscopy image of such a sample often captures only a fragment of the morphological variety present in the sample. In order to quantitatively analyse the sample using scanning electron microscope digital images, and, in particular, to derive numerical representations of the sample morphology, image content has to be assessed. In this work, we present a framework for extracting morphological information contained in scanning electron microscopy images using computer vision algorithms, and for converting them into numerical particle descriptors. We explore the concept of image representativeness and provide a set of protocols for selecting optimal scanning electron microscopy images as well as determining the smallest representative image set for each of the morphological features. We demonstrate the practical aspects of our methodology by investigating tricalcium phosphate, Ca-3(PO4)(2), and calcium hydroxyphosphate, Ca-5(PO4)(3)(OH), both naturally occurring minerals with a wide range of biomedical applications.
Lay description A typical sample of a nanomaterial contains a distribution of nanoparticles of various shapes and/or sizes. A single scanning electron microscopy (SEM) image of such a sample often captures only a fragment of the sample, and therefore only a fragment of the morphological variety present in the sample. In order to obtain more complete information about the "true" sample morphology, one needs to asses the content of a series of SEM images. In our article, we present a framework for extracting morphological information contained in SEM images using computer vision algorithms, and for converting them into numerical particle descriptors representing the particle morphology. We then explore the concept of image representativeness and provide a set of protocols for selecting optimal SEM images as well as determining the smallest representative image set for each of the morphological features. We demonstrate the practical aspects of our methodology by investigating SEM images of a tricalcium phosphate sample, a naturally occurring mineral with a wide range of biomedical applications.
C1 [Odziomek, Katarzyna; Puzyn, Tomasz] Univ Gdansk, Lab Environm Chemometr, Fac Chem, Gdansk, Poland.
[Odziomek, Katarzyna; Ushizima, Daniela; Haranczyk, Maciej] Lawrence Berkeley Natl Lab, Computat Res Div, 1 Cyclotron Rd,Mail Stop 50F-1650, Berkeley, CA 94720 USA.
[Oberbek, Przemyslaw; Kurzydlowski, Krzysztof Jan] Warsaw Univ Technol, Fac Mat Sci & Engn, Mat Design Div, Warsaw, Poland.
EM mharanczyk@lbl.gov
FU European Commission through the Marie Curie IRSES program; NanoBRIDGES
project (FP7-PEOPLE-2011-IRSES) [295128]; Foundation for Polish Science
(FOCUS Programme); European Union Seventh Framework Programme (FP7,
NanoPUZZLES project) [30983720]; Center for Advanced Mathematics for
Energy Research Applications (CAMERA); U.S. Department of Energy
[DE-AC02-05CH11231]
FX K.O. was supported by the European Commission through the Marie Curie
IRSES program, NanoBRIDGES project (FP7-PEOPLE-2011-IRSES, Grant
Agreement Number 295128) and by the Foundation for Polish Science (FOCUS
Programme). T.P. was supported by European Union Seventh Framework
Programme (FP7/2007-2013, NanoPUZZLES project Grant Agreement Number
30983720) and by the Foundation for Polish Science (FOCUS Programme).
D.U. and M. H. were supported by the Center for Advanced Mathematics for
Energy Research Applications (CAMERA), funded by the U.S. Department of
Energy under Contract No. DE-AC02-05CH11231. This work was performed at
the Lawrence Berkeley National Laboratory, which operated by the
University of California for the U.S. Department of Energy under
Contract No. DE-AC02-05CH11231.
NR 57
TC 0
Z9 0
U1 5
U2 5
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0022-2720
EI 1365-2818
J9 J MICROSC-OXFORD
JI J. Microsc..
PD JAN
PY 2017
VL 265
IS 1
BP 34
EP 50
DI 10.1111/jmi.12461
PG 17
WC Microscopy
SC Microscopy
GA EI4TX
UT WOS:000392487400005
PM 27571322
ER
PT J
AU Jin, QL
Paunesku, T
Lai, B
Gleber, SC
Chen, S
Finney, L
Vine, D
Vogt, S
Woloschak, G
Jacobsen, C
AF Jin, Qiaoling
Paunesku, Tatjana
Lai, Barry
Gleber, Sophie-charlotte
Chen, Si
Finney, Lydia
Vine, David
Vogt, Stefan
Woloschak, Gayle
Jacobsen, Chris
TI Preserving elemental content in adherent mammalian cells for analysis by
synchrotron-based x-ray fluorescence microscopy
SO JOURNAL OF MICROSCOPY
LA English
DT Article
DE Biological; cryomicroscopy; specimen preparation; x-ray microanalysis;
x-ray microscopy
ID ELECTRON-PROBE MICROANALYSIS; TRACE-ELEMENTS; CELLULAR ULTRASTRUCTURE;
FREEZE-SUBSTITUTION; SAMPLE PREPARATION; TRANSITION-METALS; ION
LOCALIZATION; CALCIUM CONTENT; CULTURED-CELLS; CANCER-CELLS
AB Trace metals play important roles in biological function, and x-ray fluorescence microscopy (XFM) provides a way to quantitatively image their distribution within cells. The faithfulness of these measurements is dependent on proper sample preparation. Using mouse embryonic fibroblast NIH/3T3 cells as an example, we compare various approaches to the preparation of adherent mammalian cells for XFM imaging under ambient temperature. Direct side-by-side comparison shows that plunge-freezing-based cryoimmobilization provides more faithful preservation than conventional chemical fixation for most biologically important elements including P, S, Cl, K, Fe, Cu, Zn and possibly Ca in adherent mammalian cells. Although cells rinsed with fresh media had a great deal of extracellular background signal for Cl and Ca, this approach maintained cells at the best possible physiological status before rapid freezing and it does not interfere with XFM analysis of other elements. If chemical fixation has to be chosen, the combination of 3% paraformaldehyde and 1.5 % glutaraldehyde preserves S, Fe, Cu and Zn better than either fixative alone. When chemically fixed cells were subjected to a variety of dehydration processes, air drying was proved to be more suitable than other drying methods such as graded ethanol dehydration and freeze drying. This first detailed comparison for x-ray fluorescence microscopy shows how detailed quantitative conclusions can be affected by the choice of cell preparation method.
C1 [Jin, Qiaoling; Jacobsen, Chris] Weinberg Coll Arts & Sci, Dept Phys & Astron, Evanston, IL USA.
[Paunesku, Tatjana; Woloschak, Gayle] Northwestern Univ, Dept Radiat Oncol, Chicago, IL 60611 USA.
[Lai, Barry; Gleber, Sophie-charlotte; Chen, Si; Finney, Lydia; Vine, David; Vogt, Stefan; Jacobsen, Chris] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
EM cjacobsen@anl.gov
RI Jacobsen, Chris/E-2827-2015
OI Jacobsen, Chris/0000-0001-8562-0353
FU National Institutes of Health [R01 GM104530]; US DOE [DE-AC02-06CH11357]
FX We thank Junjing Deng, Young Pyo Hong, Reiner Bleher, and Eric Roth of
Northwestern University for helpful discussions. We thank the National
Institutes of Health for support under grant R01 GM104530. Use of the
Advanced Photon Source, an Office of Science User Facility operated for
the US Department of Energy (DOE) Office of Science by Argonne National
Laboratory, was supported by the US DOE under Contract
DE-AC02-06CH11357.
NR 85
TC 2
Z9 2
U1 3
U2 3
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0022-2720
EI 1365-2818
J9 J MICROSC-OXFORD
JI J. Microsc..
PD JAN
PY 2017
VL 265
IS 1
BP 81
EP 93
DI 10.1111/jmi.12466
PG 13
WC Microscopy
SC Microscopy
GA EI4TX
UT WOS:000392487400009
PM 27580164
ER
PT J
AU Jiang, X
Whalen, SA
Darsell, JT
Mathaudhu, SN
Overman, NR
AF Jiang, X.
Whalen, S. A.
Darsell, J. T.
Mathaudhu, S. N.
Overman, N. R.
TI Friction consolidation of gas-atomized Fe-Si powders for soft magnetic
applications
SO MATERIALS CHARACTERIZATION
LA English
DT Article
DE Fe-Si; Soft magnet; Friction consolidation; Coercivity; Microstructure
ID TEXTURE; ALLOYS; STRESS; FILMS
AB Soft magnetic materials are often limited in scalability due to conventional processes that do not retain beneficial microstructures, and their associated physical properties, during densification. In this work, friction consolidation (FC) has been studied to fabricate Fe Si soft magnetic materials from gas-atomized powder precursors. Fe Si powder is consolidated using variable pressure and tool rotation speed in an effort to evaluate this unique densification approach for potential improvements in magnetic properties. FC, due to the high shear deformation involved, is shown to result in uniform gradual grain structure refinement across the consolidated workpiece from the center nearest the tool to the edge. Magnetic properties along different orientations indicate little, if any, textural orientation in the refined grain structure. The effect of annealing on the magnetic properties is evaluated and shown to decrease coercivity. FC processing was able to retain the magnetization of the original gas-atomized powders but further process optimization is needed to reach the optimal coercivity for the soft magnetic materials applications. (C) 2016 Elsevier Inc All rights reserved.
C1 [Jiang, X.; Whalen, S. A.; Darsell, J. T.; Mathaudhu, S. N.; Overman, N. R.] Pacific Northwest Natl Lab, Richland, WA 99352 USA.
[Mathaudhu, S. N.] Univ Calif Riverside, Riverside, CA 92521 USA.
RP Jiang, X (reprint author), 902 Battelle Blvd, Richland, WA 99352 USA.
EM Xiujuan.jiang@pnnl.gov
FU MS3 (Materials Synthesis and Simulation Across Scales) Initiative at
Pacific Northwest National Laboratory, a multi-program national
laboratory
FX This research was supported by the MS3 (Materials Synthesis
and Simulation Across Scales) Initiative at Pacific Northwest National
Laboratory, a multi-program national laboratory operated by Battelle for
the U.S. Department of Energy.
NR 21
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PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1044-5803
EI 1873-4189
J9 MATER CHARACT
JI Mater. Charact.
PD JAN
PY 2017
VL 123
BP 166
EP 172
DI 10.1016/j.matchar.2016.11.026
PG 7
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Materials Science, Characterization & Testing
SC Materials Science; Metallurgy & Metallurgical Engineering
GA EI7LD
UT WOS:000392678400019
ER
PT J
AU Lo, J
Olson, DG
Murphy, SJL
Tian, L
Hon, S
Lanahan, A
Guss, AM
Lynd, LR
AF Lo, Jonathan
Olson, Daniel G.
Murphy, Sean Jean-Loup
Tian, Liang
Hon, Shuen
Lanahan, Anthony
Guss, Adam M.
Lynd, Lee R.
TI Engineering electron metabolism to increase ethanol production in
Clostridium thermocellum
SO METABOLIC ENGINEERING
LA English
DT Article
DE Clostridium thermocellum; Ethanol
ID YIELDS; GENE; CELLULASE; PROFILES; PATHWAYS; CULTURES; STRESS
AB The NfnAB (NADH-dependent reduced ferredoxin: oxidoreductase) and Rnf (ion-translocating reduced ferredoxin: NAD(+) oxidoreductase) complexes are thought to catalyze electron transfer between reduced ferredoxin and NAD(P)(+). Efficient electron flux is critical for engineering fuel production pathways, but little is known about the relative importance of these enzymes in vivo. In this study we investigate the importance of the NfnAB and Rnf complexes in Clostridium thermocellum for growth on cellobiose and Avicel using gene deletion, enzyme assays, and fermentation product analysis. The NfnAB complex does not seem to play a major role in metabolism, since deletion of nfnAB genes had little effect on the distribution of fermentation products. By contrast, the Rnf complex appears to play an important role in ethanol formation. Deletion of rnf genes resulted in a decrease in ethanol formation. Overexpression of rnf genes resulted in an increase in ethanol production of about 30%, but only in strains where the hydG hydrogenase maturation gene was also deleted.
C1 [Lo, Jonathan; Olson, Daniel G.; Murphy, Sean Jean-Loup; Tian, Liang; Hon, Shuen; Lanahan, Anthony; Lynd, Lee R.] Dartmouth Coll, Thayer Sch Engn, Hanover, NH 03755 USA.
[Lo, Jonathan; Olson, Daniel G.; Murphy, Sean Jean-Loup; Tian, Liang; Hon, Shuen; Lanahan, Anthony; Guss, Adam M.; Lynd, Lee R.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN 37830 USA.
[Guss, Adam M.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37830 USA.
EM Lee.R.Lynd@Dartmouth.edu
FU Office of Biological and Environmental Research in the DOE Office of
Science; Dartmouth College [4000115284]; U.S. Department of Energy
[DE-AC05-00OR22725]
FX We thank Johannes P. Van Dijken for his useful comments and discussions
of metabolism. The BioEnergy Science Center is a U.S. Department of
Energy Bioenergy Research Center supported by the Office of Biological
and Environmental Research in the DOE Office of Science. The manuscript
has been authored by Dartmouth College under Sub-contract no. 4000115284
and Contract no. DE-AC05-00OR22725 with the U.S. Department of Energy.
NR 35
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PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 1096-7176
EI 1096-7184
J9 METAB ENG
JI Metab. Eng.
PD JAN
PY 2017
VL 39
BP 71
EP 79
DI 10.1016/j.ymben.2016.10.018
PG 9
WC Biotechnology & Applied Microbiology
SC Biotechnology & Applied Microbiology
GA EI5VU
UT WOS:000392565200008
PM 27989806
ER
PT J
AU Olson, DG
Horl, M
Fuhrer, T
Cui, JX
Zhou, JL
Maloney, MI
Amador-Noguez, D
Tian, L
Sauer, U
Lynd, LR
AF Olson, Daniel G.
Horl, Manuel
Fuhrer, Tobias
Cui, Jingxuan
Zhou, Jilai
Maloney, Marybeth I.
Amador-Noguez, Daniel
Tian, Liang
Sauer, Uwe
Lynd, Lee R.
TI Glycolysis without pyruvate kinase in Clostridium thermocellum
SO METABOLIC ENGINEERING
LA English
DT Article
DE C-13 flux analysis; Pyruvate kinase; Malate shunt; Malic enzyme; Malate
dehydrogenase; Oxaloacetate decarboxylase
ID METABOLIC FLUX ANALYSIS; OXALOACETATE DECARBOXYLASE; PHOSPHATE DIKINASE;
ENTAMOEBA-HISTOLYTICA; ETHANOL-PRODUCTION; FERMENTATION; ENZYME; YIELDS;
PHOSPHOENOLPYRUVATE; PURIFICATION
AB The metabolism of Clostridium thermocellum is notable in that it assimilates sugar via the EMP pathway but does not possess a pyruvate kinase enzyme. In the wild type organism, there are three proposed pathways for conversion of phosphoenolpyruvate (PEP) to pyruvate, which differ in their cofactor usage. One path uses pyruvate phosphate dikinase (PPDK), another pathway uses the combined activities of PEP carboxykinase (PEPCK) and oxaloacetate decarboxylase (ODC). Yet another pathway, the malate shunt, uses the combined activities of PEPCK, malate dehydrogenase and malic enzyme. First we showed that there is no flux through the ODC pathway by enzyme assay. Flux through the remaining two pathways (PPDK and malate shunt) was determined by dynamic C-13 labeling. In the wild-type strain, the malate shunt accounts for about 33 +/- 2% of the flux to pyruvate, with the remainder via the PPDK pathway. Deletion of the ppdk gene resulted in a redirection of all pyruvate flux through the malate shunt. This provides the first direct evidence of the in-vivo function of the malate shunt.
C1 [Olson, Daniel G.; Cui, Jingxuan; Zhou, Jilai; Maloney, Marybeth I.; Tian, Liang; Lynd, Lee R.] Dartmouth Coll, Thayer Sch Engn, Hanover, NH 03755 USA.
[Olson, Daniel G.; Cui, Jingxuan; Zhou, Jilai; Maloney, Marybeth I.; Tian, Liang; Lynd, Lee R.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN 37830 USA.
[Horl, Manuel; Fuhrer, Tobias; Sauer, Uwe] ETH, Inst Mol Syst Biol, Zurich, Switzerland.
[Amador-Noguez, Daniel] Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA.
EM Daniel.G.Olson@Dartmouth.edu; Lee.R.Lynd@Dartmouth.edu
FU Office of Biological and Environmental Research in the DOE Office of
Science; Office of Science of the U.S. Department of Energy
[DE-AC02-05CH11231]; U.S. Department of Energy [DE-AC05-00OR22725]
FX The BioEnergy Science Center is a U.S. Department of Energy Bioenergy
Research Center supported by the Office of Biological and Environmental
Research in the DOE Office of Science.; The genomic resequencing work
conducted by the U.S. Department of Energy Joint Genome Institute, a DOE
Office of Science User Facility, is supported by the Office of Science
of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.;
Notice: This manuscript has been authored by Dartmouth College under
Contract No. DE-AC05-00OR22725 with U.S. Department of Energy. The
United States Government retains and the publisher, by accepting the
article for publication, acknowledges that the United States Government
retains a non-exclusive, paid-up, irrevocable worldwide license to
publish or reproduce the published form of this manuscript or allow
others to do so, for United States Government purposes. (End of Notice).
NR 51
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PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 1096-7176
EI 1096-7184
J9 METAB ENG
JI Metab. Eng.
PD JAN
PY 2017
VL 39
BP 169
EP 180
DI 10.1016/j.ymben.2016.11.011
PG 12
WC Biotechnology & Applied Microbiology
SC Biotechnology & Applied Microbiology
GA EI5VU
UT WOS:000392565200018
PM 27914869
ER
PT J
AU He, L
Xiu, Y
Jones, JA
Baidoo, EEK
Keasling, JD
Tang, YJJ
Koffas, MAG
AF He, Lian
Xiu, Yu
Jones, J. Andrew
Baidoo, Edward E. K.
Keasling, Jay D.
Tang, Yinjie J.
Koffas, Mattheos A. G.
TI Deciphering flux adjustments of engineered E. coli cells during
fermentation with changing growth conditions
SO METABOLIC ENGINEERING
LA English
DT Article
DE C-13-MFA; Channeling; Free metabolites; Promoter; Reflux; Tryptophan;
Violacein
ID BACILLUS-SUBTILIS METABOLISM; PENTOSE-PHOSPHATE PATHWAY;
ESCHERICHIA-COLI; CORYNEBACTERIUM-GLUTAMICUM; CHROMOBACTERIUM-VIOLACEUM;
SYNTHETIC BIOLOGY; CYCLE; PERTURBATIONS; ROBUSTNESS; FRAMEWORK
AB Microbial fermentation conditions are dynamic, due to transcriptional induction, nutrient consumption, or changes to incubation conditions. In this study, C-13-metabolic flux analysis was used to characterize two violacein-producing E. coli strains with vastly different productivities, and to profile their metabolic adjustments resulting from external perturbations during fermentation. The two strains were first grown at 37 degrees C in stage 1, and then the temperature was transitioned to 20 degrees C in stage 2 for the optimal expression of the violacein synthesis pathway. After induction, violacein production was minimal in stage 3, but accelerated in stage 4 (early production phase) and 5 (late production phase) in the high producing strain, reaching a final concentration of 1.5 mmol/L. On the contrary, similar to 0.02 mmol/L of violacein was obtained from the low producing strain. To have a snapshot of the temporal metabolic changes in each stage, we performed C-13-MFA via isotopomer analysis of fast-turnover free metabolites. The results indicate strikingly stable flux ratios in the central metabolism throughout the early growth stages. In the late stages, however, the high producer rewired its flux distribution significantly, which featured an upregulated pentose phosphate pathway and TCA cycle, reflux from acetate utilization, negligible anabolic fluxes, and elevated maintenance loss, to compensate for nutrient depletion and drainage of some building blocks due to violacein overproduction. The low producer with stronger promoters shifted its relative fluxes in stage 5 by enhancing the flux through the TCA cycle and acetate overflow, while exhibiting a reduced biomass growth and a minimal flux towards violacein synthesis. Interestingly, the addition of the violacein precursor (tryptophan) in the medium inhibited high producer but enhanced low producer's productivity, leading to hypotheses of unknown pathway regulations (such as metabolite channeling).
C1 [He, Lian; Tang, Yinjie J.] Washington Univ, Dept Energy Environm & Chem Engn, St Louis, MO 63130 USA.
[Xiu, Yu; Jones, J. Andrew; Koffas, Mattheos A. G.] Rensselaer Polytech Inst, Dept Chem Engn, Ctr Biotechnol & Interdisciplinary Studies, Troy, NY 12180 USA.
[Xiu, Yu] Beijing Univ Chem Technol, Coll Life Sci & Technol, Beijing, Peoples R China.
[Jones, J. Andrew] Hamilton Coll, Dept Chem, Clinton, NY 13323 USA.
[Baidoo, Edward E. K.; Keasling, Jay D.] Joint BioEnergy Inst, Emeryville, CA USA.
[Keasling, Jay D.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
[Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA.
[Keasling, Jay D.] Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA USA.
[Keasling, Jay D.] Univ Calif Berkeley, Calif Inst Quantitat Biosci QB3, Berkeley, CA 94720 USA.
[Keasling, Jay D.] Tech Univ Denmark, Novo Nordisk Fdn Ctr Biosustainabil, Kogle Alle, DK-2970 Horsholm, Denmark.
[Koffas, Mattheos A. G.] Rensselaer Polytech Inst, Dept Biol Sci, Troy, NY 12180 USA.
RP Tang, YJJ (reprint author), Washington Univ, Dept Energy Environm & Chem Engn, St Louis, MO 63130 USA.; Koffas, MAG (reprint author), Rensselaer Polytech Inst, Dept Chem Engn, Ctr Biotechnol & Interdisciplinary Studies, Troy, NY 12180 USA.; Koffas, MAG (reprint author), Rensselaer Polytech Inst, Dept Biol Sci, Troy, NY 12180 USA.
EM yinjie.tang@wustl.edu; koffam@rpi.edu
FU National Science Foundation [MCB 1616619, DBI1356669, MCB 1448657]; US
Department of Energy, Office of Science [DE-AC02-05CH11231]; US
Department of Energy, Office of Biological and Environmental Research
[DE-AC02-05CH11231]
FX This project was funded by the National Science Foundation through
Grants MCB 1616619 and DBI1356669 to YJT and MCB 1448657 to MK. The
LC-MS work was performed at the Joint BioEnergy Institute supported by
the US Department of Energy, Office of Science, and Office of Biological
and Environmental Research, through Contract DE-AC02-05CH11231 between
Lawrence Berkeley National Laboratory and the US Department of Energy.
NR 55
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U1 7
U2 7
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 1096-7176
EI 1096-7184
J9 METAB ENG
JI Metab. Eng.
PD JAN
PY 2017
VL 39
BP 247
EP 256
DI 10.1016/j.ymben.2016.12.008
PG 10
WC Biotechnology & Applied Microbiology
SC Biotechnology & Applied Microbiology
GA EI5VU
UT WOS:000392565200026
PM 28017690
ER
PT J
AU Marshall, CR
Marshall, CR
Howrigan, DP
Merico, D
Thiruvahindrapuram, B
Wu, WT
Greer, DS
Antaki, D
Shetty, A
Holmans, PA
Pinto, D
Gujral, M
Brandler, WM
Malhotra, D
Wang, ZZ
Fajarado, KVF
Maile, MS
Ripke, S
Agartz, I
Albus, M
Alexander, M
Amin, F
Atkins, J
Bacanu, SA
Belliveau, RA
Bergen, SE
Ertalan, M
Bevilacqua, E
Bigdeli, TB
Black, DW
Bruggeman, R
Buccola, NG
Buckner, RL
Bulik-Sullivan, B
Byerley, W
Cahn, W
Cai, GQ
Cairns, MJ
Campion, D
Cantor, RM
Carr, VJ
Carrera, N
Catts, SV
Chambert, KD
Cheng, W
Cloninger, CR
Cohen, D
Cormican, P
Craddock, N
Crespo-Facorro, B
Crowley, JJ
Curtis, D
Davidson, M
Davis, KL
Degenhardt, F
Del Favero, J
DeLisi, LE
Dikeos, D
Dinan, T
Djurovic, S
Donohoe, G
Drapeau, E
Duan, J
Dudbridge, F
Eichhammer, P
Eriksson, J
Escott-Price, V
Essioux, L
Fanous, AH
Farh, KH
Farrell, MS
Frank, J
Franke, L
Freedman, R
Freimer, NB
Friedman, JI
Forstner, AJ
Fromer, M
Genovese, G
Georgieva, L
Gershon, ES
Giegling, I
Giusti-Rodriguez, P
Godard, S
Goldstein, JI
Gratten, J
de Haan, L
Hamshere, ML
Hansen, M
Hansen, T
Haroutunian, V
Hartmann, AM
Henskens, FA
Herms, S
Hirschhorn, JN
Hoffinann, P
Hofman, A
Huang, H
Ikeda, M
Joa, I
Kahler, AK
Kahn, RS
Kalaydjieva, L
Karjalainen, J
Kavanagh, D
Keller, MC
Kelly, BJ
Kennedy, JL
Kim, Y
Knowles, JA
Konte, B
Laurent, C
Lee, P
Lee, SH
Legge, SE
Lerer, B
Levy, DL
Liang, KY
Lieberman, J
Lonnqvist, J
Loughland, CM
Magnusson, PKE
Maher, BS
Maier, W
Mallet, J
Mattheisen, M
Mattingsdal, M
McCarley, RW
McDonald, C
McIntosh, AM
Meier, S
Meijer, CJ
Melle, I
Mesholam-Gately, RI
Metspalu, A
Michie, PT
Milani, L
Milanova, V
Mokrab, Y
Morris, DW
Muller-Myhsok, B
Murphy, KC
Murray, RM
Myin-Germeys, I
Nenadic, I
Nertney, DA
Nestadt, G
Nicodemus, KK
Nisenbaum, L
Nordin, A
O'Callaghan, E
O'Dushlaine, C
Oh, SY
Olincy, A
Olsen, L
O'Neill, FA
Van Os, J
Pantelis, C
Papadimitriou, GN
Parkhomenko, E
Pato, MT
Paunio, T
Perkins, DO
Pers, TH
Pietilainen, O
Pimm, J
Pocklington, AJ
Powell, J
Price, A
Pulver, AE
Purcell, SM
Quested, D
Rasmussen, HB
Reichenberg, A
Reimers, MA
Richards, AL
Roffman, JL
Roussos, P
Ruderfer, DM
Salomaa, V
Sanders, AR
Savitz, A
Schall, U
Schulze, TG
Schwab, SG
Scolnick, EM
Scott, RJ
Seidman, LJ
Shi, JX
Silverman, JM
Smoller, JW
Soderman, E
Spencer, CCA
Stahl, EA
Strengman, E
Strohmaier, J
Stroup, TS
Suvisaari, J
Svrakic, DM
Szatkiewicz, JP
Thirumalai, S
Tooney, PA
Veijola, J
Visscher, PM
Waddington, J
Walsh, D
Webb, BT
Weiser, M
Wildenauer, DB
Williams, NM
Williams, S
Witt, SH
Wolen, AR
Wormley, BK
Wray, NR
Wu, JQ
Zai, CC
Adolfsson, R
Andreassen, OA
Blackwood, DHR
Bramon, E
Buxbaum, JD
Cichon, S
Collier, DA
Corvin, A
Daly, MJ
Darvasi, A
Domenici, E
Esko, T
Gejman, PV
Gill, M
Gurling, H
Hultman, CM
Iwata, N
Jablensky, AV
Jonsson, EG
Kendler, KS
Kirov, G
Knight, J
Levinson, DF
Li, QQS
McCarroll, SA
McQuillin, A
Moran, JL
Mowry, BJ
Nothen, MM
Ophoff, RA
Owen, MJ
Palotie, A
Pato, CN
Petryshen, TL
Posthuma, D
Rietschel, M
Riley, BP
Rujescu, D
Sklar, P
St Clair, D
Walters, JTR
Werge, T
Siillivan, PF
O'Donovan, MC
Scherer, SW
Neale, BM
Sebat, J
AF Marshall, Christian R.
Marshall, Christian R.
Howrigan, Daniel P.
Merico, Daniele
Thiruvahindrapuram, Bhooma
Wu, Wenting
Greer, Douglas S.
Antaki, Danny
Shetty, Aniket
Holmans, Peter A.
Pinto, Dalila
Gujral, Madhusudan
Brandler, William M.
Malhotra, Dheeraj
Wang, Zhouzhi
Fajarado, Karin V. Fuentes
Maile, Michelle S.
Ripke, Stephan
Agartz, Ingrid
Albus, Margot
Alexander, Madeline
Amin, Farooq
Atkins, Joshua
Bacanu, Silviu A.
Belliveau, Richard A., Jr.
Bergen, Sarah E.
Ertalan, Marcelo
Bevilacqua, Elizabeth
Bigdeli, Tim B.
Black, Donald W.
Bruggeman, Richard
Buccola, Nancy G.
Buckner, Randy L.
Bulik-Sullivan, Brendan
Byerley, William
Cahn, Wiepke
Cai, Guiqing
Cairns, Murray J.
Campion, Dominique
Cantor, Rita M.
Carr, Vaughan J.
Carrera, Noa
Catts, Stanley V.
Chambert, Kimberley D.
Cheng, Wei
Cloninger, C. Robert
Cohen, David
Cormican, Paul
Craddock, Nick
Crespo-Facorro, Benedicto
Crowley, James J.
Curtis, David
Davidson, Michael
Davis, Kenneth L.
Degenhardt, Franziska
Del Favero, Jurgen
DeLisi, Lynn E.
Dikeos, Dimitris
Dinan, Timothy
Djurovic, Srdjan
Donohoe, Gary
Drapeau, Elodie
Duan, Jubao
Dudbridge, Frank
Eichhammer, Peter
Eriksson, Johan
Escott-Price, Valentina
Essioux, Laurent
Fanous, Ayman H.
Farh, Kai-How
Farrell, Martilias S.
Frank, Josef
Franke, Lude
Freedman, Robert
Freimer, Nelson B.
Friedman, Joseph I.
Forstner, Andreas J.
Fromer, Menachem
Genovese, Giulio
Georgieva, Lyudmila
Gershon, Elliot S.
Giegling, Ina
Giusti-Rodriguez, Paola
Godard, Stephanie
Goldstein, Jacqueline I.
Gratten, Jacob
de Haan, Lieuwe
Hamshere, Marian L.
Hansen, Mark
Hansen, Thomas
Haroutunian, Vahram
Hartmann, Annette M.
Henskens, Frans A.
Herms, Stefan
Hirschhorn, Joel N.
Hoffinann, Per
Hofman, Andrea
Huang, Hailiang
Ikeda, Masashi
Joa, Inge
Kahler, Anna K.
Kahn, Rene S.
Kalaydjieva, Luba
Karjalainen, Juha
Kavanagh, David
Keller, Matthew C.
Kelly, Brian J.
Kennedy, James L.
Kim, Yunjung
Knowles, James A.
Konte, Bettina
Laurent, Claudine
Lee, Phil
Lee, S. Hong
Legge, Sophie E.
Lerer, Bernard
Levy, Deborah L.
Liang, Kung-Yee
Lieberman, Jeffrey
Lonnqvist, Jouko
Loughland, Carmel M.
Magnusson, Patrik K. E.
Maher, Brion S.
Maier, Wolfgang
Mallet, Jacques
Mattheisen, Manuel
Mattingsdal, Morten
McCarley, Robert W.
McDonald, Colm
McIntosh, Andrew M.
Meier, Sandra
Meijer, Carin J.
Melle, Ingrid
Mesholam-Gately, Raquelle I.
Metspalu, Andres
Michie, Patricia T.
Milani, Lili
Milanova, Vihra
Mokrab, Younes
Morris, Derek W.
Muller-Myhsok, Bertram
Murphy, Kieran C.
Murray, Robin M.
Myin-Germeys, Inez
Nenadic, Igor
Nertney, Deborah A.
Nestadt, Gerald
Nicodemus, Kristin K.
Nisenbaum, Laura
Nordin, Annelie
O'Callaghan, Eadbhard
O'Dushlaine, Colm
Oh, Sang-Yun
Olincy, Ann
Olsen, Line
O'Neill, F. Anthony
Van Os, Jim
Pantelis, Christos
Papadimitriou, George N.
Parkhomenko, Elena
Pato, Michele T.
Paunio, Tiina
Perkins, Diana O.
Pers, Tune H.
Pietilainen, Olli
Pimm, Jonathan
Pocklington, Andrew J.
Powell, John
Price, Alkes
Pulver, Ann E.
Purcell, Shaun M.
Quested, Digby
Rasmussen, Henrik B.
Reichenberg, Abraham
Reimers, Mark A.
Richards, Alexander L.
Roffman, Joshua L.
Roussos, Panos
Ruderfer, Douglas M.
Salomaa, Veikko
Sanders, Alan R.
Savitz, Adam
Schall, Ulrich
Schulze, Thomas G.
Schwab, Sibylle G.
Scolnick, Edward M.
Scott, Rodney J.
Seidman, Larry J.
Shi, Jianxin
Silverman, Jeremy M.
Smoller, Jordan W.
Soderman, Erik
Spencer, Chris C. A.
Stahl, Eli A.
Strengman, Eric
Strohmaier, Jana
Stroup, T. Scott
Suvisaari, Jaana
Svrakic, Dragan M.
Szatkiewicz, Jin P.
Thirumalai, Srinivas
Tooney, Paul A.
Veijola, Juha
Visscher, Peter M.
Waddington, John
Walsh, Dermot
Webb, Bradley T.
Weiser, Mark
Wildenauer, Dieter B.
Williams, Nigel M.
Williams, Stephanie
Witt, Stephanie H.
Wolen, Aaron R.
Wormley, Brandon K.
Wray, Naomi R.
Wu, Jing Qin
Zai, Clement C.
Adolfsson, Rolf
Andreassen, Ole A.
Blackwood, Douglas H. R.
Bramon, Elvira
Buxbaum, Joseph D.
Cichon, Sven
Collier, David A.
Corvin, Aiden
Daly, Mark J.
Darvasi, Ariel
Domenici, Enrico
Esko, Tonu
Gejman, Pablo V.
Gill, Michael
Gurling, Hugh
Hultman, Christina M.
Iwata, Nakao
Jablensky, Assen V.
Jonsson, Erik G.
Kendler, Kenneth S.
Kirov, George
Knight, Jo
Levinson, Douglas F.
Li, Qingqin S.
McCarroll, Steven A.
McQuillin, Andrew
Moran, Jennifer L.
Mowry, Bryan J.
Nothen, Markus M.
Ophoff, Roel A.
Owen, Michael J.
Palotie, Aarno
Pato, Carlos N.
Petryshen, Tracey L.
Posthuma, Danielle
Rietschel, Marcella
Riley, Brien P.
Rujescu, Dan
Sklar, Pamela
St Clair, David
Walters, James T. R.
Werge, Thomas
Siillivan, Patrick F.
O'Donovan, Michael C.
Scherer, Stephen W.
Neale, Benjamin M.
Sebat, Jonathan
CA CNV
Schizophrenia Working Grp
Psychosis Endophenotypes
TI Contribution of copy number variants to schizophrenia from a genome-wide
study of 41,321 subjects
SO NATURE GENETICS
LA English
DT Article
ID GENE; 16P11.2; AUTISM; RISK; CNVS; REARRANGEMENTS; DUPLICATIONS;
PHENOTYPES; DISORDERS; MUTATIONS
AB Copy number variants (CNVs) have been strongly implicated in the genetic etiology of schizophrenia (SCZ). However, genome-wide investigation of the contribution of CNV to risk has been hampered by limited sample sizes. We sought to address this obstacle by applying a centralized analysis pipeline to a SCZ cohort of 21,094 cases and 20,227 controls. A global enrichment of CNV burden was observed in cases (odds ratio (OR) = 1.11, P = 5.7 x 10(-15)), which persisted after excluding loci implicated in previous studies (OR = 1.07, P = 1.7 x 10(-6)). CNV burden was enriched for genes associated with synaptic function (OR = 1.68, P = 2.8 x 10(-11)) and neurobehavioral phenotypes in mouse (OR = 1.18, P = 7.3 x 10(-5)). Genome-wide significant evidence was obtained for eight loci, including 1q21.1, 2p16.3 (NRXN1), 3q29, 7q11.2, 15q13.3, distal 16p11.2, proximal 16p11.2 and 22q11.2. Suggestive support was found for eight additional candidate susceptibility and protective loci, which consisted predominantly of CNVs mediated by nonallelic homologous recombination.
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RI Scherer, Stephen /B-3785-2013; Pantelis, Christos/H-7722-2014; Powell,
John/G-4412-2011;
OI Scherer, Stephen /0000-0002-8326-1999; Visscher,
Peter/0000-0002-2143-8760; Dinan, Timothy/0000-0002-2316-7220; McIntosh,
Andrew/0000-0002-0198-4588; Knight, Joanne/0000-0002-7148-1660;
Pantelis, Christos/0000-0002-9565-0238; Powell,
John/0000-0001-6124-439X; Jonsson, Erik/0000-0001-8368-6332; Webb,
Bradley/0000-0002-0576-5366; Domenici, Enrico/0000-0001-7436-6919;
murray, robin/0000-0003-0829-0519; Adolfsson, Rolf/0000-0001-9785-8473
FU US National Institute of Mental Health (NIMH) [U01 MH094421]
FX Core funding for the Psychiatric Genomics Consortium is from the US
National Institute of Mental Health (NIMH, U01 MH094421). We thank T.
Lehner, A. Addington and G. Senthil (NIMH). The work of the contributing
groups was supported by numerous grants from governmental and charitable
bodies as well as philanthropic donation. Details are provided in the
Supplementary Note.
NR 36
TC 0
Z9 0
U1 6
U2 6
PU NATURE PUBLISHING GROUP
PI NEW YORK
PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA
SN 1061-4036
EI 1546-1718
J9 NAT GENET
JI Nature Genet.
PD JAN
PY 2017
VL 49
IS 1
BP 27
EP 35
DI 10.1038/ng.3725
PG 9
WC Genetics & Heredity
SC Genetics & Heredity
GA EG3WY
UT WOS:000390976600008
ER
PT J
AU Heifetz, A
Vilim, R
AF Heifetz, Alexander
Vilim, Richard
TI Eigendecomposition model of resistance temperature detector with
applications to S-CO2 cycle sensing
SO NUCLEAR ENGINEERING AND DESIGN
LA English
DT Article
DE Eigendecomposition; Thermal hydraulics; Resistance temperature detector;
Super-critical carbon dioxide
ID EQUATION
AB Super-critical carbon dioxide (S-CO2) is a promising thermodynamic cycle for advanced nuclear reactors and solar energy conversion applications. Dynamic control of the proposed recompression S-CO2 cycle is accomplished with input from resistance temperature detector (RTD) measurements of the process fluid. One of the challenges in practical implementation of S-CO2 cycle is high corrosion rate of component and sensor materials. In this paper, we develop a mathematical model of RTD sensing using eigendecomposition model of radial heat transfer in a layered long cylinder. We show that the value of RTD time constant primarily depends on the rate of heat transfer from the fluid to the outer wall of RTD. We also show that for typical material properties, RTD time constant can be calculated as the sum of reciprocal eigen-values of the heat transfer matrix. Using the computational model and a set of RTD and CO2 fluid thermophysical parameter values, we calculate the value of time constant of thermowell-mounted RTD sensor at the hot side of the precooler in the S-CO2 cycle. The eigendecomposition model of RTD will be used in future studies to model sensor degradation and its impact on control of S-CO2. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Heifetz, Alexander; Vilim, Richard] Argonne Natl Lab, Nucl Engn Div, 9700 South Cass Ave, Argonne, IL 60439 USA.
EM aheifetz@anl.gov
FU US Department of Energy (DOE); Office of Nuclear Energy (NE) Nuclear
Energy Enabling Technology (NEET); Advanced Reactor Concepts (ARC)
programs
FX This work was supported by funds from the US Department of Energy (DOE),
Office of Nuclear Energy (NE) Nuclear Energy Enabling Technology (NEET)
and Advanced Reactor Concepts (ARC) programs.
NR 18
TC 0
Z9 0
U1 0
U2 0
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0029-5493
EI 1872-759X
J9 NUCL ENG DES
JI Nucl. Eng. Des.
PD JAN
PY 2017
VL 311
BP 60
EP 68
DI 10.1016/j.nucengdes.2016.11.015
PG 9
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EI7MV
UT WOS:000392683100008
ER
PT J
AU Kanchanavatee, N
Janoschek, M
Huang, K
White, BD
Riseborough, PS
Balatsky, AV
Maple, MB
AF Kanchanavatee, N.
Janoschek, M.
Huang, K.
White, B. D.
Riseborough, P. S.
Balatsky, A. V.
Maple, M. B.
TI Emergence of higher order rotational symmetry in the hidden order phase
of URu2Si2
SO PHILOSOPHICAL MAGAZINE
LA English
DT Article
DE Hidden order; rotational symmetry; heavy-fermion metals
ID ELECTRON SUPERCONDUCTOR URU2SI2; MAGNETIC EXCITATIONS; FERMI-SURFACE;
TRANSITION; LATTICE; SYSTEM; STATE
AB Electrical resistivity measurements were performed as functions of temperature, magnetic field, and angle theta between the magnetic field and the c-axis of a URu2Si2 single crystal. The resistivity exhibits a two-fold oscillation as a function of theta at high temperatures, which undergoes a 180 degrees-phase shift (sign change) with decreasing temperature at around 35 K. The hidden order transition is manifested as a minimum in the magnetoresistance and amplitude of the two-fold oscillation. Interestingly, the resistivity also showed four-fold, six-fold, and eight-fold symmetries at the hidden order transition. These higher order symmetries were also detected at low temperatures, which could be a sign of the formation of another pseudogap phase above the superconducting transition, consistent with recent evidence for a pseudogap from point-contact spectroscopy measurements and NMR. Measurements of the magnetisation of single crystalline URu2Si2 with the magnetic field applied parallel and perpendicular to the crystallographic c-axis revealed regions with linear temperature dependencies between the hidden order transition temperature and about 25 K. This T-linear behaviour of the magnetisation may be associated with the formation of a precursor phase or 'pseudogap' in the density of states in the vicinity of 30-35 K.
C1 [Kanchanavatee, N.; White, B. D.; Maple, M. B.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA.
[Kanchanavatee, N.; Huang, K.; White, B. D.; Maple, M. B.] Univ Calif San Diego, Ctr Adv Nanosci, San Diego, CA 92103 USA.
[Janoschek, M.] Los Alamos Natl Lab, Condensed Matter & Magnet Sci Grp, Los Alamos, NM USA.
[Huang, K.; Maple, M. B.] Univ Calif San Diego, Mat Sci & Engn Program, San Diego, CA 92103 USA.
[Riseborough, P. S.] Temple Univ, Dept Phys, Philadelphia, PA 19122 USA.
[Balatsky, A. V.] Los Alamos Natl Lab, Inst Mat Sci, Los Alamos, NM USA.
[Balatsky, A. V.] Nord Inst Theoret Phys NORDITA, Ctr Quantum Mat, Stockholm, Sweden.
EM mbmaple@ucsd.edu
FU US Department of Energy (DOE), Office of Basic Energy Sciences (BES),
Division of Materials Sciences and Engineering [DE-FG02-04-ER46105];
National Science Foundation [DMR 1206553]; US DOE BES
[DE-FG02-84-ER45872, E304]
FX Research at UCSD was supported by the US Department of Energy (DOE),
Office of Basic Energy Sciences (BES), Division of Materials Sciences
and Engineering, [grant number DE-FG02-04-ER46105] (sample synthesis and
physical properties measurements) and the National Science Foundation
[grant number DMR 1206553] (low temperature measurements), while the
research at TU was funded by US DOE BES [grant number
DE-FG02-84-ER45872]. A. V. Balatsky was supported by US DOE BES E304,
ERC DM and KAW. Work at Los Alamos National Laboratory (LANL) was
performed under the auspices of the US DOE, OBES, Division of Materials
Sciences and Engineering.
NR 37
TC 0
Z9 0
U1 2
U2 2
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND
SN 1478-6435
EI 1478-6443
J9 PHILOS MAG
JI Philos. Mag.
PY 2017
VL 97
IS 2
BP 144
EP 154
DI 10.1080/14786435.2016.1235294
PN A
PG 11
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Physics, Applied; Physics, Condensed Matter
SC Materials Science; Metallurgy & Metallurgical Engineering; Physics
GA EI6HS
UT WOS:000392596700005
ER
PT J
AU Malik, MA
Schoenbach, KH
Abdel-Fattah, TM
Heller, R
Jiang, CQ
AF Malik, Muhammad Arif
Schoenbach, Karl H.
Abdel-Fattah, Tarek M.
Heller, Richard
Jiang, Chunqi
TI Low Cost Compact Nanosecond Pulsed Plasma System for Environmental and
Biomedical Applications
SO PLASMA CHEMISTRY AND PLASMA PROCESSING
LA English
DT Article
DE Cockcroft-Walton voltage multiplier; Nanosecond pulsed power;
Non-thermal plasma; Ozone synthesis; Energy efficiency
ID DIELECTRIC BARRIER DISCHARGE; OZONE SYNTHESIS PROCESS; DC-DC CONVERTER;
NONTHERMAL PLASMA; ELECTRICAL DISCHARGES; WATER-PURIFICATION;
POLLUTION-CONTROL; ENERGY-EFFICIENT; POWER TECHNOLOGY; CORONA DISCHARGE
AB Nanosecond pulsed non-thermal atmospheric-pressure plasmas are promising for numerous applications including air and water purification, ozone synthesis, surface sterilization, material processing, and biomedical care. However, the high cost of the nanosecond pulsed power sources has hindered adaptation of the plasma-based technologies for clinical and industrial use. This paper presents a low cost (< 100US$) nanosecond pulsed plasma system that consists of a Cockcroft-Walton high voltage charging circuit, a compact nanosecond pulse generator using a spark gap as switch, and a plasma reactor. The nanosecond pulse power source requires only a 12 V DC input, hence is battery operable. Through the optimization of the experimental parameters, pulses with a peak voltage > 10 kV, a 3 ns rise time (10 to 90 %), and a 10 ns pulse duration (full width at half maximum) at a pulse repetition rate of up to 500 Hz were achieved in the present study. It has been successfully tested to power three different plasma reactors to form pulsed corona discharges, dielectric barrier discharges, and sliding discharges. The energy efficiency of such a nanosecond pulsed sliding discharge system was assessed in the context of ozone synthesis using air or oxygen as the feed gas, and was found comparable to a previously reported non-thermal plasma system that used commercial high voltage pulsed power sources. This study demonstrated that this low-cost nanosecond pulsed power source can prove to be an energy efficient and simple supply to drive various non-thermal atmospheric-pressure plasma reactors for environmental, medical and other applications.
C1 [Malik, Muhammad Arif; Schoenbach, Karl H.; Heller, Richard; Jiang, Chunqi] Old Dominion Univ, Frank Reidy Res Ctr Bioelect, 4211 Monarch Way,Suite 300, Norfolk, VA 23508 USA.
[Abdel-Fattah, Tarek M.] Christopher Newport Univ, Dept Mol Biol & Chem, Newport News, VA 23606 USA.
[Abdel-Fattah, Tarek M.] Thomas Jefferson Natl Accelerator Facil, Appl Res Ctr, Newport News, VA USA.
[Heller, Richard] Old Dominion Univ, Coll Hlth Sci, Sch Med Diagnost & Translat Sci, Norfolk, VA USA.
[Jiang, Chunqi] Old Dominion Univ, Dept Elect & Comp Engn, Norfolk, VA 23529 USA.
RP Malik, MA (reprint author), Old Dominion Univ, Frank Reidy Res Ctr Bioelect, 4211 Monarch Way,Suite 300, Norfolk, VA 23508 USA.
EM mmalik@odu.edu
NR 79
TC 0
Z9 0
U1 14
U2 14
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0272-4324
EI 1572-8986
J9 PLASMA CHEM PLASMA P
JI Plasma Chem. Plasma Process.
PD JAN
PY 2017
VL 37
IS 1
BP 59
EP 76
DI 10.1007/s11090-016-9747-9
PG 18
WC Engineering, Chemical; Physics, Applied; Physics, Fluids & Plasmas
SC Engineering; Physics
GA EJ2PX
UT WOS:000393053800005
ER
PT J
AU Pires, AL
Belo, JH
Gomes, IT
Hadimani, RL
Schlagel, DL
Lograsso, TA
Jiles, DC
Lopes, AML
Araujo, JP
Pereira, AM
AF Pires, A. L.
Belo, J. H.
Gomes, I. T.
Hadimani, R. L.
Schlagel, D. L.
Lograsso, T. A.
Jiles, D. C.
Lopes, A. M. L.
Araujo, J. P.
Pereira, A. M.
TI Suppression of magnetostructural transition on GdSiGe thin film after
thermal cyclings
SO THIN SOLID FILMS
LA English
DT Article
DE Thermal cycling; Magnetocaloric effect; Thin films; Microstructure
ID MAGNETOCALORIC MATERIALS; TEMPERATURE; GD5SI2GE2; BEHAVIOR;
GD-5(SI0.1GE0.9)(4); REFRIGERATION; HYSTERESIS; COMPOUND; SYSTEM; BULK
AB The influence of thermal cycling on the microstructure, magnetic phase transition and magnetic entropy change of a Gd5Si1.3Ge2.7 thin film up to 1000 cycles is investigated. The authors found that after 1000 cycles a strong reduction of the crystallographic phase responsible for the magnetostructural transition (Orthorhombic II phase) occurs. This is attributed to chemical disorder, caused by the large number of expansion/compression cycles that the Orthorhombic II phase undergoes across the magnetostructural transition. The suppression of the magnetostructural transition corresponds to a drastic decrease of the thin film magnetic entropy change. These results reveal the importance of studying the thermal/magnetic cycles influence on magnetostructural transitions as they can damage a real-life device. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Pires, A. L.; Belo, J. H.; Gomes, I. T.; Lopes, A. M. L.; Araujo, J. P.; Pereira, A. M.] Univ Porto, Fac Ciencias, IFIMUP, Rua Campo Alegre, P-4169007 Oporto, Portugal.
[Pires, A. L.; Belo, J. H.; Gomes, I. T.; Lopes, A. M. L.; Araujo, J. P.; Pereira, A. M.] Univ Porto, Fac Ciencias, Inst Nanosci & Nanotechnol, Dept Fis & Astron, Rua Campo Alegre, P-4169007 Oporto, Portugal.
[Hadimani, R. L.; Jiles, D. C.] Iowa State Univ, Dept Elect & Comp Engn, Ames, IA 50011 USA.
[Hadimani, R. L.; Schlagel, D. L.; Lograsso, T. A.; Jiles, D. C.] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA.
[Lograsso, T. A.] Ames Lab, Div Mat Sci & Engn, Ames, IA 50011 USA.
EM jearaujo@fc.up.pt; ampereira@fc.up.pt
OI Pereira, Andre/0000-0002-8587-262X
FU FCT [PTDC/CTM-NAN/115125/2009, EXPL/EMS-ENE/2315/2013,
FEDER/POCTIn0155/94, JF/00686/2014, CERN/FIS-NUC/0004/2015,
SFRH/BD/88440/2012]; U.S. Department of Energy, Office of Basic Energy
Sciences, Division of Materials Science and Engineering; DOE by Iowa
State University [DE-ACO2-07CH11358]; [NORTE-070124-FEDER-000070];
[PEst-OE/FIS/1J10275/2014]; [Incentivo/FIS/U10275/2014]
FX The authors acknowledge FCT for financial support through the projects:
PTDC/CTM-NAN/115125/2009, EXPL/EMS-ENE/2315/2013, FEDER/POCTIn0155/94,
JF/00686/2014 and CERN/FIS-NUC/0004/2015. J. H. Belo thanks FCT for the
Grant SFRH/BD/88440/2012. A. M. Pereira, I. T. Gomes and A. M. L Lopes
acknowledge the project NORTE-070124-FEDER-000070 for the financial
support A L. Pires thanks for the Grant: PEst-OE/FIS/1J10275/2014 and
Incentivo/FIS/U10275/2014. Work at Ames Laboratory was supported by the
U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Materials Science and Engineering. Ames Laboratory is operated for DOE
by Iowa State University under Contract No. DE-ACO2-07CH11358.
NR 44
TC 0
Z9 0
U1 3
U2 3
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0040-6090
J9 THIN SOLID FILMS
JI Thin Solid Films
PD JAN 1
PY 2017
VL 621
BP 247
EP 252
DI 10.1016/j.tsf.2016.09.013
PG 6
WC Materials Science, Multidisciplinary; Materials Science, Coatings &
Films; Physics, Applied; Physics, Condensed Matter
SC Materials Science; Physics
GA EI7MK
UT WOS:000392681900037
ER
PT J
AU Chen, ZH
Rose, AZ
Prager, F
Chatterjee, S
AF Chen, Zhenhua
Rose, Adam Z.
Prager, Fynnwin
Chatterjee, Samrat
TI Economic consequences of aviation system disruptions: A reduced-form
computable general equilibrium analysis
SO TRANSPORTATION RESEARCH PART A-POLICY AND PRACTICE
LA English
DT Article
DE Economic consequence analysis; Aviation system disruptions; Computable
general equilibrium (CGE) modeling; Reduced-form; Latin Hypercube
sampling
ID RESILIENCE; SECURITY
AB The state of the art approach to economic consequence analysis (ECA) is computable general equilibrium (CGE) modeling. However, such models contain thousands of equations and cannot readily be incorporated into computerized systems to yield rapid estimates of economic impacts of various types of transportation system failures due to natural hazards, terrorist attacks or technological accidents. This paper presents a reduced-form approach to simplify the analytical content of CGE models and make them more transparent and enhance their utilization potential. The reduced-form CGE analysis is conducted by first running simulations one hundred times, varying key parameters, such as the magnitude of the initial shock, duration, location, behavioral responses, and resilience, according to a Latin Hypercube sampling procedure. Statistical analysis is then applied to the "synthetic data" results in the form of both ordinary least-squares and quantile regression. The analysis yields linear equations that are incorporated into a computerized system and utilized along with Monte Carlo simulation methods for propagating uncertainties in economic consequences. Although our demonstration and discussion focuses on aviation system disruptions caused by terrorist attacks, the approach can be applied to a broad range of threat scenarios. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Chen, Zhenhua] Ohio State Univ, City & Reg Planning, Knowlton Sch Architecture, Columbus, OH 43210 USA.
[Rose, Adam Z.] Univ Southern Calif, CREATE, Los Angeles, CA USA.
[Rose, Adam Z.] Univ Southern Calif, Sol Price Sch Publ Policy, Los Angeles, CA USA.
[Prager, Fynnwin] Calif State Univ Dominguez Hills, Coll Business Adm & Publ Policy, Carson, CA 90747 USA.
[Chatterjee, Samrat] Pacific Northwest Natl Lab, Appl Stat & Computat Modeling, Richland, WA USA.
RP Chen, ZH (reprint author), Ohio State Univ, City & Reg Planning, Knowlton Sch Architecture, Columbus, OH 43210 USA.
EM chen.7172@osu.edu
FU U.S. Department of Homeland Security [2010-ST-061-RE0001-05]
FX This material is based upon work supported by the U.S. Department of
Homeland Security under Grant Award Number 2010-ST-061-RE0001-05. The
views and conclusions contained in this document are those of the
authors and should not be interpreted as necessarily representing the
official policies, either expressed or implied, of the U.S. Department
of Homeland Security. The authors are grateful for the excellent
assistance from Dan Wei, Eric Warren, Joshua Banks, and Noah Miller. We
wish to thank Peter Dixon for his very helpful comments on earlier
portions of this paper. Any errors or omissions are the sole
responsibility of the authors.
NR 32
TC 0
Z9 0
U1 1
U2 1
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0965-8564
J9 TRANSPORT RES A-POL
JI Transp. Res. Pt. A-Policy Pract.
PD JAN
PY 2017
VL 95
BP 207
EP 226
DI 10.1016/j.tra.2016.09.027
PG 20
WC Economics; Transportation; Transportation Science & Technology
SC Business & Economics; Transportation
GA EI8PB
UT WOS:000392768600014
ER
PT J
AU Sherman, BD
Xie, Y
Sheridan, MV
Wang, DG
Shaffer, DW
Meyer, TJ
Concepcion, JJ
AF Sherman, Benjamin D.
Xie, Yan
Sheridan, Matthew V.
Wang, Degao
Shaffer, David W.
Meyer, Thomas J.
Concepcion, Javier J.
TI Light-Driven Water Splitting by a Covalently Linked Ruthenium-Based
Chromophore-Catalyst Assembly
SO ACS ENERGY LETTERS
LA English
DT Article
ID SENSITIZED PHOTOELECTROCHEMICAL CELLS; ELECTRON-TRANSFER MEDIATOR;
OXIDATION CATALYST; ARTIFICIAL PHOTOSYNTHESIS; MOLECULAR CATALYSTS;
PHOTOANODES; DYNAMICS; COMPLEXES; DEVICES; SYSTEMS
AB The preparation and characterization of new Ru(II) polypyridyl-based chromophore-catalyst assemblies, [(4,4'-PO3H2-bpy)(2)Ru(4-Mebpy-4' -epic)Ru(bda)(pic)](2+) (1, bpy = 2,2'-bipyridine; 4-Mebpy-4'-epic = 4-(4-methylbipyr-idin-4'-yl-ethyl)-pyridine; bda = 2,2'-bipyridine-6,6' -dicarboxylate; pic = 4-pico-line), and [(bpy)(2)Ru(4-Mebpy-4' -epic)Ru(bda)(pic)(2+) (I') are described, as is the application of I in a dye-sensitized photoelectrosynthesis cell (DSPEC) for solar water splitting. On SnO2/TiO2 core-shell electrodes in a DSPEC configuration with a Pt cathode, the chromophore-catalyst assembly undergoes light-driven water oxidation at pH 5.7 in a 0.1 M acetate buffer, 0.5 M in NaClO4. With illumination by a 100 mW cm(-2) white light source, photocurrents of similar to 0.85 mA cm(-2) were observed after 30 s under a 0.1 V vs Ag/AgCl applied bias with a faradaic efficiency for O-2 production of 74% measured over a 5 min illumination period.
C1 [Sherman, Benjamin D.; Sheridan, Matthew V.; Wang, Degao; Meyer, Thomas J.] Univ North Carolina Chapel Hill, Dept Chem, Chapel Hill, NC 27599 USA.
[Xie, Yan; Shaffer, David W.; Concepcion, Javier J.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
RP Concepcion, JJ (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
EM jconcepc@bnl.gov
OI Shaffer, David/0000-0002-8807-1617
FU UNC EFRC Center for Solar Fuels, an Energy Frontier Research Center -
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-SC0001011]; U.S. Department of Energy, Office of Science,
Division of Chemical Sciences, Geosciences, & Biosciences, Office of
Basic Energy Sciences [DE-SC00112704]
FX Electrochemical and photoelectrochemical studies were carried out at UNC
(B.D.S, M.V.S., and D.W.) supported by the UNC EFRC Center for Solar
Fuels, an Energy Frontier Research Center funded by the U.S. Department
of Energy, Office of Science, Office of Basic Energy Sciences, under
Award No. DE-SC0001011. Synthesis and characterization of all compounds
and spectroscopic studies were carried out at Brookhaven National
Laboratory (Y.X. and D.W.S.) supported by the U.S. Department of Energy,
Office of Science, Division of Chemical Sciences, Geosciences, &
Biosciences, Office of Basic Energy Sciences under Contract
DE-SC00112704.
NR 37
TC 0
Z9 0
U1 23
U2 23
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2380-8195
J9 ACS ENERGY LETT
JI ACS Energy Lett.
PD JAN
PY 2017
VL 2
IS 1
BP 124
EP 128
DI 10.1021/acsenergylett.6b00661
PG 5
WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Electrochemistry; Energy & Fuels; Science & Technology -
Other Topics; Materials Science
GA EI1TI
UT WOS:000392260400019
ER
PT J
AU Sharp, ID
Cooper, JK
Toma, FM
Buonsanti, R
AF Sharp, Ian D.
Cooper, Jason K.
Toma, Francesca M.
Buonsanti, R.
TI Bismuth Vanadate as a Platform for Accelerating Discovery and
Development of Complex Transition-Metal Oxide Photoanodes
SO ACS ENERGY LETTERS
LA English
DT Article
ID DENSITY-FUNCTIONAL THEORY; DOPED BIVO4 PHOTOANODES; VISIBLE-LIGHT;
ELECTRONIC-STRUCTURE; ARTIFICIAL PHOTOSYNTHESIS; HYDROGEN-PRODUCTION;
OPTICAL-PROPERTIES; CHARGE SEPARATION; OXYGEN EVOLUTION; SINGLE-CRYSTALS
AB Development of practical systems for photoelectrochemical conversion of solar energy to chemical fuel requires light absorbers that are efficient, durable, and scalable. Because no material currently meets all three requirements, intensive semiconductor discovery efforts are underway, with a major focus on complex metal oxides. Discovery and development of next-generation light absorbers can be accelerated by gaining mechanistic insights into the function of existing systems. BiVO4 embodies many key characteristics of the broader class of transition-metal oxides. Thus, it is well-suited as a platform for elucidating the critical roles of charge localization, defects, and chemical interactions on photoelectrochemical performance characteristics. In this Perspective, we discuss how comprehensive characterization of electronic structure and semiconductor properties can advance theoretical models, approaches to addressing inefficiencies and instabilities, and prediction of new materials. Studies of BiVO4 provide a general framework for understanding mechanisms in emerging materials and a foundation for discovering new ones.
C1 [Sharp, Ian D.; Cooper, Jason K.; Toma, Francesca M.] Lawrence Berkeley Natl Lab, Chem Sci Div, Berkeley, CA 94720 USA.
[Buonsanti, R.] Ecole Polytech Fed Lausanne, Dept Chem Sci & Engn, CH-1950 Sion, Switzerland.
RP Sharp, ID (reprint author), Lawrence Berkeley Natl Lab, Chem Sci Div, Berkeley, CA 94720 USA.
EM idsharp@lbl.gov
OI Sharp, Ian/0000-0001-5238-7487
FU Solar Photochemistry Program of the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, Division of Chemical,
Geological and Biosciences [DE-AC02-05CH11231]; Joint Center for
Artificial Photosynthesis, a DOE Energy Innovation Hub, supported
through the Office of Science of the U.S. Department of Energy
[DE-SC0004993]; Laboratory Directed Research and Development Program of
Lawrence Berkeley National Laboratory under U.S. Department of Energy
[DE-AC02-05CH11231]; EPFL; Swiss SNF [PYAPP2_166897/1]
FX This material is based on work supported by the Solar Photochemistry
Program of the U.S. Department of Energy, Office of Science, Office of
Basic Energy Sciences, Division of Chemical, Geological and Biosciences
under Contract No. DE-AC02-05CH11231 (manuscript preparation and
composition by I.D.S, J.K.C.), and by the Joint Center for Artificial
Photosynthesis, a DOE Energy Innovation Hub, supported through the
Office of Science of the U.S. Department of Energy under Award Number
DE-SC0004993 (cited original works by I.D.S., J.K.C., F.M.T., R.B.), and
by the Laboratory Directed Research and Development Program of Lawrence
Berkeley National Laboratory under U.S. Department of Energy contract
number DE-AC02-05CH11231 (manuscript preparation and composition, as
well as cited original work by F.M.T.). R.B. thanks start-up funding
from EPFL and the Swiss SNF for manuscript preparation and composition
(AP Energy Grant, Project Number PYAPP2_166897/1).
NR 81
TC 0
Z9 0
U1 13
U2 13
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2380-8195
J9 ACS ENERGY LETT
JI ACS Energy Lett.
PD JAN
PY 2017
VL 2
IS 1
BP 139
EP 150
DI 10.1021/acsenergylett.6b00586
PG 12
WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Electrochemistry; Energy & Fuels; Science & Technology -
Other Topics; Materials Science
GA EI1TI
UT WOS:000392260400022
ER
PT J
AU Li, L
Sun, XA
Zhang, JJ
Lu, J
AF Li, Liang
Sun, Xueliang Andy
Zhang, Jiujun
Lu, Jun
TI Electrochemical Energy Storage and Conversion at EEST2016
SO ACS ENERGY LETTERS
LA English
DT Editorial Material
C1 [Li, Liang] Soochow Univ, Coll Phys Optoelect & Energy, Ctr Energy Convers Mat & Phys, Suzhou 215006, Peoples R China.
[Sun, Xueliang Andy] Univ Western Ontario, Dept Mech & Mat Engn, London, ON N6A 5B9, Canada.
[Zhang, Jiujun] Shanghai Univ, Coll Sci, 99 Shangda Rd, Shanghai 200444, Peoples R China.
[Lu, Jun] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Li, L (reprint author), Soochow Univ, Coll Phys Optoelect & Energy, Ctr Energy Convers Mat & Phys, Suzhou 215006, Peoples R China.; Lu, J (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM lli@suda.edu.cn; junlu@anl.gov
RI Sun, Xueliang/C-7257-2012
FU U.S. Department of Energy from the Vehicle Technologies Office,
Department of Energy, Office of Energy Efficiency and Renewable Energy
[DE-AC02-06CH11357]; National Natural Science Foundation of China
[51302181, 51372159, 51422206, 51672182]; China Postdoctoral Science
Foundation [2015T80580]; Thousand Youth Talents Plan; Jiangsu
Shuangchuang Plan; Jiangsu Natural Science Foundation [BK20151219,
BK20140009]; Priority Academic Program Development of Jiangsu Higher
Education Institutions (PAPD)
FX The organizers of the meeting (the authors) thank Joey Jung, Lei Zhang,
Zhongwei Chen, Yingjie Zhang, Wenhui Ma, Keqiang Xie, Jay Sui, Ian Chen,
Yuyu Liu, and Shuhui Sun for their great effort and support to this
conference. J.L. acknowledges financial support from the U.S. Department
of Energy under Contract DE-AC02-06CH11357 from the Vehicle Technologies
Office, Department of Energy, Office of Energy Efficiency and Renewable
Energy. L.L. acknowledges the financial support of the National Natural
Science Foundation of China (51302181, 51372159, 51422206, 51672182),
the China Postdoctoral Science Foundation (2015T80580), the Thousand
Youth Talents Plan, the Jiangsu Shuangchuang Plan, the Jiangsu Natural
Science Foundation (BK20151219, BK20140009), and of the Priority
Academic Program Development of Jiangsu Higher Education Institutions
(PAPD).
NR 0
TC 0
Z9 0
U1 4
U2 4
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2380-8195
J9 ACS ENERGY LETT
JI ACS Energy Lett.
PD JAN
PY 2017
VL 2
IS 1
BP 151
EP 153
DI 10.1021/acsenergylett.6b00604
PG 3
WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Electrochemistry; Energy & Fuels; Science & Technology -
Other Topics; Materials Science
GA EI1TI
UT WOS:000392260400023
ER
PT J
AU Soltau, SR
Niklas, J
Dahlberg, PD
Mulfort, KL
Poluektov, OG
Utschig, LM
AF Soltau, Sarah R.
Niklas, Jens
Dahlberg, Peter D.
Mulfort, Karen L.
Poluektov, Oleg G.
Utschig, Lisa M.
TI Charge Separation Related to Photocatalytic H-2 Production from a
Ru-Apoflavodoxin-Ni Biohybrid
SO ACS ENERGY LETTERS
LA English
DT Article
ID DRIVEN HYDROGEN-PRODUCTION; ELECTRON-TRANSFER; NICKEL-CATALYST;
MOLECULAR ELECTROCATALYSTS; AQUEOUS-SOLUTION; OXIDATION-STATE;
PHOTOSYSTEM-I; REDUCTION; PATHWAYS; DEPENDENCE
AB The direct creation of a fuel from sunlight and water via photochemical energy conversion provides a sustainable method for producing a clean source of energy. Here we report the preparation of a solar fuel biohybrid that embeds a nickel diphosphine hydrogen evolution catalyst into the cofactor binding pocket of the electron shuttle protein, flavodoxin (Fld). The system is made photocatalytic by linking a cysteine residue in Fld to a ruthenium photosensitizer. Importantly, the protein environment enables the otherwise insoluble Ni catalyst to perform photocatalysis in aqueous solution over a pH range of 3.5-12.0, with optimal turnover frequency 410 +/- 30 h(-1) and turnover number 620 +/- 80 mol H-2/mol hybrid observed at pH 6.2. For the first time, a reversible light-induced charge-separated state involving a Ni(I) intermediate was directly monitored by electron paramagnetic resonance spectroscopy. Transient optical measurements reflect two conformational states, with a Ni(I) state formed in similar to 1.6 or similar to 185 mu s that persists for several milliseconds as a long-lived charge-separated state facilitated by the protein matrix.
C1 [Soltau, Sarah R.; Niklas, Jens; Dahlberg, Peter D.; Mulfort, Karen L.; Poluektov, Oleg G.; Utschig, Lisa M.] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Dahlberg, Peter D.] Univ Chicago, Grad Program Biophys, Chicago, IL 60637 USA.
[Soltau, Sarah R.] Bridgewater State Univ, Dept Chem Sci, Bridgewater, MA 02325 USA.
[Dahlberg, Peter D.] Stanford Univ, Dept Chem, 375 North South Mall, Stanford, CA 94035 USA.
RP Utschig, LM (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM utschig@anl.gov
RI Niklas, Jens/I-8598-2016
OI Niklas, Jens/0000-0002-6462-2680
FU U.S. Department of Energy Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences
[DE-AC02-06CH11357]
FX This work is supported by the U.S. Department of Energy Office of
Science, Office of Basic Energy Sciences, Division of Chemical Sciences,
Geosciences, and Biosciences, under Contract No. DE-AC02-06CH11357.
NR 45
TC 0
Z9 0
U1 6
U2 6
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2380-8195
J9 ACS ENERGY LETT
JI ACS Energy Lett.
PD JAN
PY 2017
VL 2
IS 1
BP 230
EP 237
DI 10.1021/acsenergylett.6b00614
PG 8
WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Electrochemistry; Energy & Fuels; Science & Technology -
Other Topics; Materials Science
GA EI1TI
UT WOS:000392260400032
ER
PT J
AU Varley, JB
Kweon, K
Mehta, P
Shea, P
Heo, TW
Udovic, TJ
Stavila, V
Wood, BC
AF Varley, Joel B.
Kweon, Kyoung
Mehta, Prateek
Shea, Patrick
Heo, Tae Wook
Udovic, Terrence J.
Stavila, Vitalie
Wood, Brandon C.
TI Understanding Ionic Conductivity Trends in Polyborane Solid Electrolytes
from Ab Initio Molecular Dynamics
SO ACS ENERGY LETTERS
LA English
DT Article
ID SODIUM SUPERIONIC CONDUCTION; PHASE-TRANSITION; LI2B12H12; LITHIUM;
NA2B10H10; NA2B12H12; CATION; BOND
AB Polyborane salts based on B12H122-, B10H102-, CB11H12-, and CB9H10- demonstrate high Li and Na superionic conductivity that makes them attractive as electrolytes in all-solid-state batteries. Their chemical and structural diversity creates a versatile design space that could be used to optimize materials with higher conductivity at lower temperatures; however, many mechanistic details remain enigmatic, including reasons why certain known modifications lead to improved performance. We use extensive ab initio molecular dynamics simulations to explore the dependence of ionic conductivity on cation/anion pair combinations for Li and Na polyborane salts. Further simulations are used to probe the influence of local modifications to chemistry, stoichiometry, and composition. Carbon doping, anion alloying, and cation off-stoichiometry are found to favorably introduce intrinsic disorder, facilitating local deviation from the expected cation population. Lattice expansion likewise has a positive effect by aiding anion reorientations that are critical for conduction. Implications for engineering polyboranes for improved ionic conductivity are discussed.
C1 [Varley, Joel B.; Kweon, Kyoung; Shea, Patrick; Heo, Tae Wook; Wood, Brandon C.] Lawrence Livermore Natl Lab, Div Mat Sci, Livermore, CA 94550 USA.
[Mehta, Prateek] Univ Notre Dame, Dept Chem & Biomol Engn, Notre Dame, IN 46556 USA.
[Udovic, Terrence J.] NIST, NIST Ctr Neutron Res, Gaithersburg, MD 20899 USA.
[Stavila, Vitalie] Sandia Natl Labs, Livermore, CA 94550 USA.
RP Wood, BC (reprint author), Lawrence Livermore Natl Lab, Div Mat Sci, Livermore, CA 94550 USA.
EM brandonwood@llnl.gov
OI Wood, Brandon/0000-0002-1450-9719; Mehta, Prateek/0000-0001-6233-8072
FU U.S. Department of Energy at Lawrence Livermore National Laboratory
(LLNL) [DE-AC52-07NA27344]; Laboratory Directed Research and Development
Grant [15-ERD-022]
FX This work was performed under the auspices of the U.S. Department of
Energy at Lawrence Livermore National Laboratory (LLNL) under Contract
No. DE-AC52-07NA27344 and funded by Laboratory Directed Research and
Development Grant 15-ERD-022. Computing support came from the LLNL
Institutional Computing Grand Challenge program.
NR 31
TC 1
Z9 1
U1 11
U2 11
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2380-8195
J9 ACS ENERGY LETT
JI ACS Energy Lett.
PD JAN
PY 2017
VL 2
IS 1
BP 250
EP 255
DI 10.1021/acsenergylett.6b00620
PG 6
WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Electrochemistry; Energy & Fuels; Science & Technology -
Other Topics; Materials Science
GA EI1TI
UT WOS:000392260400035
ER
PT J
AU Kurley, JM
Panthani, MG
Crisp, RW
Nanayakkara, SU
Pach, GF
Reese, MO
Hudson, MH
Dolzhnikov, DS
Tanygin, V
Luther, JM
Talapin, DV
AF Kurley, J. Matthew
Panthani, Matthew G.
Crisp, Ryan W.
Nanayakkara, Sanjini U.
Pach, Gregory F.
Reese, Matthew O.
Hudson, Margaret H.
Dolzhnikov, Dmitriy S.
Tanygin, Vadim
Luther, Joseph M.
Talapin, Dmitri V.
TI Transparent Ohmic Contacts for Solution-Processed, Ultrathin CdTe Solar
Cells
SO ACS ENERGY LETTERS
LA English
DT Article
ID OPEN-CIRCUIT VOLTAGE; BACK CONTACT; GRAIN-GROWTH; EFFICIENCY; FILMS;
SEMICONDUCTORS; NANOCRYSTALS; PERFORMANCE; SIMULATION; TELLURIDE
AB Recently, solution-processing became a viable route for depositing CdTe for use in photovoltaics. Ultrathin (similar to 500 nm) solar cells have been made using colloidal CdTe nanocrystals with efficiencies exceeding 12% power conversion efficiency (PCE) demonstrated by using very simple device stacks. Further progress requires an effective method for extracting charge carriers generated during light harvesting. Here, we explored solution-based methods for creating transparent Ohmic contacts to the solution-deposited CdTe absorber layer and demonstrated molecular and nanocrystal approaches to Ohmic hole extracting contacts at the ITO/CdTe interface. We used scanning Kelvin probe microscopy to further show how the above approaches improved carrier collection by reducing the potential drop under reverse bias across the ITO/CdTe interface. Other methods, such as spin-coating CdTe/A(2)CdTe(2) (A = Na, K, Cs, N2H5), can be used in conjunction with current/light soaking to improve PCE further.
C1 [Kurley, J. Matthew; Hudson, Margaret H.; Dolzhnikov, Dmitriy S.; Tanygin, Vadim; Talapin, Dmitri V.] Univ Chicago, Dept Chem, 5735 S Ellis Ave, Chicago, IL 60637 USA.
[Kurley, J. Matthew; Hudson, Margaret H.; Dolzhnikov, Dmitriy S.; Tanygin, Vadim; Talapin, Dmitri V.] Univ Chicago, James Franck Inst, Chicago, IL 60637 USA.
[Panthani, Matthew G.] Iowa State Univ, Dept Chem & Biol Engn, Ames, IA 50011 USA.
[Crisp, Ryan W.] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA.
[Crisp, Ryan W.; Nanayakkara, Sanjini U.; Pach, Gregory F.; Reese, Matthew O.; Luther, Joseph M.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Talapin, Dmitri V.] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Pach, Gregory F.] Univ Colorado, Dept Elect Comp & Energy Engn, Boulder, CO 80309 USA.
RP Talapin, DV (reprint author), Univ Chicago, Dept Chem, 5735 S Ellis Ave, Chicago, IL 60637 USA.; Talapin, DV (reprint author), Univ Chicago, James Franck Inst, Chicago, IL 60637 USA.; Talapin, DV (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM dvtalapin@uchicago.edu
OI Luther, Joey/0000-0002-4054-8244; Kurley, James/0000-0003-0592-0714
FU Office of Naval Research [N00014-13-1-0490]; NSF MRSEC Program
[DMR-14-20703]; Department of Energy (DOE) SunS hot program
[DE-EE0005312]; II-VI Foundation
FX This work was supported by the Office of Naval Research under grant
number N00014-13-1-0490, by the NSF MRSEC Program under Award No.
DMR-14-20703, by the Department of Energy (DOE) SunS hot program under
Award Number DE-EE0005312, and by II-VI Foundation.
NR 42
TC 0
Z9 0
U1 12
U2 12
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2380-8195
J9 ACS ENERGY LETT
JI ACS Energy Lett.
PD JAN
PY 2017
VL 2
IS 1
BP 270
EP 278
DI 10.1021/acsenergylett.6b00587
PG 9
WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Electrochemistry; Energy & Fuels; Science & Technology -
Other Topics; Materials Science
GA EI1TI
UT WOS:000392260400039
ER
PT J
AU Abdali, N
Parks, JM
Haynes, KM
Chaney, JL
Green, AT
Wolloscheck, D
Walker, JK
Rybenkov, VV
Baudry, J
Smith, JC
Zgurskaya, HI
AF Abdali, Narges
Parks, Jerry M.
Haynes, Keith M.
Chaney, Julie L.
Green, Adam T.
Wolloscheck, David
Walker, John K.
Rybenkov, Valentin V.
Baudry, Jerome
Smith, Jeremy C.
Zgurskaya, Helen I.
TI Reviving Antibiotics: Efflux Pump Inhibitors That Interact with AcrA, a
Membrane Fusion Protein of the AcrAB-ToIC Multidrug Efflux Pump
SO ACS INFECTIOUS DISEASES
LA English
DT Article
DE Gram-negative bacteria; antibiotic resistance; hyperporinated outer
membrane; efflux pump inhibitors
ID GRAM-NEGATIVE BACTERIA; ESCHERICHIA-COLI; PSEUDOMONAS-AERUGINOSA; TOLC;
IDENTIFICATION; SYSTEM; TRANSPORTERS; FLEXIBILITY; COMPLEXES; MECHANISM
AB Antibiotic resistance is a major threat to human welfare. Inhibitors of multidrug efflux pumps (EPIs) are promising alternative therapeutics that could revive activities of antibiotics and reduce bacterial virulence. Identification of new druggable sites for inhibition is critical for the development of effective EPIs, especially in light of constantly emerging resistance. Here, we describe EPIs that interact with periplasmic membrane fusion proteins, critical components of efflux pumps that are responsible for the activation of the transporter and the recruitment of the outer-membrane channel. The discovered EPIs bind to AcrA, a component of the prototypical AcrAB-ToIC pump, change its structure in vivo, inhibit efflux of fluorescent probes, and potentiate the activities of antibiotics in Escherichia cob and other Gram-negative bacteria. Our findings expand the chemical and mechanistic diversity of EPIs, suggest the mechanism for regulation of the efflux pump assembly and activity, and provide a promising path for reviving the activities of antibiotics in resistant bacteria.
C1 [Abdali, Narges; Chaney, Julie L.; Wolloscheck, David; Rybenkov, Valentin V.; Zgurskaya, Helen I.] Univ Oklahoma, Dept Chem & Biochem, Norman, OK 73019 USA.
[Parks, Jerry M.; Green, Adam T.; Baudry, Jerome; Smith, Jeremy C.] Oak Ridge Natl Lab, Biosci Div, UT ORNL Ctr Mol Biophys, Oak Ridge, TN 37831 USA.
[Parks, Jerry M.; Baudry, Jerome; Smith, Jeremy C.] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA.
[Haynes, Keith M.; Walker, John K.] St Louis Univ, Sch Med, Dept Pharmacol & Physiol Sci, St Louis, MO 63104 USA.
RP Zgurskaya, HI (reprint author), Univ Oklahoma, Dept Chem & Biochem, Norman, OK 73019 USA.
EM elenaz@ou.edu
FU National Institutes of Health [AI052293]; Oklahoma Center for
Advancement of Science and Technology [HR14-042]; Office of Science of
the U.S. Department of Energy [DE-AC05-00OR22725]; U.S. Department of
Energy [DE-AC05-00OR22723]
FX This work was supported by National Institutes of Health Grant AI052293
to H.I.Z. and the award for Project HR14-042 from the Oklahoma Center
for Advancement of Science and Technology to V.V.R. This research used
the TITAN supercomputer at the Oak Ridge Leadership Computing Facility
(OLCF) at Oak Ridge National Laboratory, which is supported by the
Office of Science of the U.S. Department of Energy under Contract
DE-AC05-00OR22725. This paper has been coauthored by UT-Battelle, LLC,
under Contract DE-AC05-00OR22723 with the U.S. Department of Energy.
NR 44
TC 0
Z9 0
U1 7
U2 7
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2373-8227
J9 ACS INFECT DIS
JI ACS Infect. Dis.
PD JAN
PY 2017
VL 3
IS 1
BP 89
EP 98
DI 10.1021/acsinfecdis.6b00167
PG 10
WC Chemistry, Medicinal; Infectious Diseases
SC Pharmacology & Pharmacy; Infectious Diseases
GA EI1TH
UT WOS:000392260300009
PM 27768847
ER
PT J
AU Yang, YM
Kamaraju, N
Campione, S
Liu, S
Reno, JL
Sinclair, MB
Prasankumar, RP
Brener, I
AF Yang, Yuanmu
Kamaraju, N.
Campione, Salvatore
Liu, Sheng
Reno, John L.
Sinclair, Michael B.
Prasankumar, Rohit P.
Brener, Igal
TI Transient GaAs Plasmonic Metasurfaces at Terahertz Frequencies
SO ACS PHOTONICS
LA English
DT Article
DE ultrafast plasmonics; semiconductor; metasurface; perfect absorber
ID PHOTOEXCITED CARRIERS; METAMATERIALS; SEMICONDUCTORS; TUNABILITY;
ABSORBERS; CRYSTALS; DYNAMICS
AB We demonstrate the ultrafast formation of terahertz (THz) metasurfaces through all-optical creation of spatially modulated carrier density profiles in a deep-subwave-length GaAs film. The switch-on of the transient plasmon mode, governed by the GaAs effective electron mass and electron phonon interactions, is revealed by structured-optical pump THz probe spectroscopy, on a time scale of 500 fs. By modulating the carrier density using different pump fluences, we observe a wide tuning of the electric dipole resonance of the transient GaAs metasurface from 0.5 THz to 1.7 THz. Furthermore, we numerically demonstrate that the metasurface presented here can be generalized to more complex architectures for realizing functionalities such as perfect absorption, leading to a 30 dB modulation depth. The platform also provides a pathway to achieve ultrafast manipulation of infrared beams in the linear and, potentially, nonlinear regime.
C1 [Yang, Yuanmu; Campione, Salvatore; Liu, Sheng; Reno, John L.; Sinclair, Michael B.; Brener, Igal] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Yang, Yuanmu; Campione, Salvatore; Liu, Sheng; Reno, John L.; Brener, Igal] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA.
[Kamaraju, N.; Prasankumar, Rohit P.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
[Kamaraju, N.] Indian Inst Sci Educ & Res Kolkata, Dept Phys Sci, Mohanpur 741246, India.
RP Yang, YM; Brener, I (reprint author), Sandia Natl Labs, Albuquerque, NM 87185 USA.; Yang, YM; Brener, I (reprint author), Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA.
EM yuayang@sandia.gov; ibrener@sandia.gov
OI Campione, Salvatore/0000-0003-4655-5485
FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Materials Sciences and Engineering; U.S. Department of Energy's National
Nuclear Security Administration [DE-AC04-94AL85000]
FX The authors thank P. Q. Liu of Sandia National Laboratories for
stimulating discussions and M. R. C. Williams of Los Alamos National
Laboratory for assistance in the sample measurements. This work was
supported by the U.S. Department of Energy, Office of Basic Energy
Sciences, Division of Materials Sciences and Engineering, and performed,
in part, at the Center for Integrated Nanotechnologies, an Office of
Science User Facility operated for the U.S. Department of Energy (DOE)
Office of Science. Sandia National Laboratories is a multimission
laboratory managed and operated by Sandia Corporation, a wholly owned
subsidiary of Lockheed Martin Corporation, for the U.S. Department of
Energy's National Nuclear Security Administration under contract
DE-AC04-94AL85000.
NR 36
TC 0
Z9 0
U1 23
U2 23
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2330-4022
J9 ACS PHOTONICS
JI ACS Photonics
PD JAN
PY 2017
VL 4
IS 1
BP 15
EP 21
DI 10.1021/acsphotonics.6b00735
PG 7
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Optics; Physics, Applied; Physics, Condensed Matter
SC Science & Technology - Other Topics; Materials Science; Optics; Physics
GA EI4LE
UT WOS:000392464400003
ER
PT J
AU Ji, XY
Lei, SM
Yu, SY
Cheng, HY
Liu, WJ
Poilvert, N
Xiong, YH
Dabo, I
Mohney, SE
Badding, JV
Gopalan, V
AF Ji, Xiaoyu
Lei, Shiming
Yu, Shih-Ying
Cheng, Hiu Yan
Liu, Wenjun
Poilvert, Nicolas
Xiong, Yihuang
Dabo, Ismaila
Mohney, Suzanne E.
Badding, John V.
Gopalan, Venkatraman
TI Single-Crystal Silicon Optical Fiber by Direct Laser Crystallization
SO ACS PHOTONICS
LA English
DT Article
DE optical fiber; silicon photonics; chemical vapor deposition; laser
crystallization; crystal growth; optoelectronics
ID WAVE-GUIDES; SUPERCONTINUUM GENERATION; OXYGEN PRECIPITATION; PRESSURE;
SYSTEM; GROWTH; WIRE; SI
AB Semiconductor core optical fibers with a silica cladding are of great interest in nonlinear photonics and optoelectronics applications. Laser crystallization has been recently demonstrated for crystallizing amorphous silicon fibers into crystalline form. Here we explore the underlying mechanism by which long single-crystal silicon fibers, which are novel platforms for silicon photonics, can be achieved by this process. Using finite element modeling, we construct a laser processing diagram that reveals a parameter space within which single crystals can be grown. Utilizing this diagram, we illustrate the creation of single-crystal silicon core fibers by laser crystallizing amorphous silicon deposited inside silica capillary fibers by high-pressure chemical vapor deposition. The single crystal fibers, up to 5.1 mm long, have a very well-defined core/cladding interface and a chemically pure silicon core that leads to very low optical losses down to similar to 0.47-1 dB/cm at the standard telecommunication wavelength (1550 nm). It also exhibits a photosensitivity that is comparable to bulk silicon. Creating such laser processing diagrams can provide a general framework for developing single-crystal fibers in other materials of technological importance.
C1 [Ji, Xiaoyu; Lei, Shiming; Yu, Shih-Ying; Poilvert, Nicolas; Xiong, Yihuang; Dabo, Ismaila; Mohney, Suzanne E.; Badding, John V.; Gopalan, Venkatraman] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA.
[Cheng, Hiu Yan; Badding, John V.] Penn State Univ, Dept Chem, University Pk, PA 16802 USA.
[Badding, John V.] Penn State Univ, Dept Phys, 104 Davey Lab, University Pk, PA 16802 USA.
[Ji, Xiaoyu; Lei, Shiming; Yu, Shih-Ying; Cheng, Hiu Yan; Poilvert, Nicolas; Xiong, Yihuang; Dabo, Ismaila; Mohney, Suzanne E.; Badding, John V.; Gopalan, Venkatraman] Penn State Univ, Mat Res Inst, University Pk, PA 16802 USA.
[Liu, Wenjun] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
RP Badding, JV; Gopalan, V (reprint author), Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA.; Badding, JV (reprint author), Penn State Univ, Dept Chem, University Pk, PA 16802 USA.; Badding, JV (reprint author), Penn State Univ, Dept Phys, 104 Davey Lab, University Pk, PA 16802 USA.; Badding, JV; Gopalan, V (reprint author), Penn State Univ, Mat Res Inst, University Pk, PA 16802 USA.
EM jbadding@chem.psu.edu; vxg8@psu.edu
FU Penn State Materials Research Science and Engineering Center for
Nanoscale Science [DMR 1420620]; U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; [DMR
1107894]
FX The authors acknowledge primary financial support from the Penn State
Materials Research Science and Engineering Center for Nanoscale Science,
grant no. DMR 1420620, and partial support from grant no. DMR 1107894.
Use of the Advanced Photon Source was supported by the U.S. Department
of Energy, Office of Science, Office of Basic Energy Sciences, under
Contract No. DE-AC02-06CH11357. X.J. and V.G. would like to thank
beamline 34-ID-E at the Advanced Photon Source for providing the
facilities for diffraction experiments. X.J. would also like to thank A.
Grede for helpful discussions on the photoconductivity measurement, G.
Stone for discussions on the fiber laser crystallization setup, and K.
Wang for help in TEM characterization.
NR 52
TC 1
Z9 1
U1 19
U2 19
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2330-4022
J9 ACS PHOTONICS
JI ACS Photonics
PD JAN
PY 2017
VL 4
IS 1
BP 85
EP 92
DI 10.1021/acsphotonics.6b00584
PG 8
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Optics; Physics, Applied; Physics, Condensed Matter
SC Science & Technology - Other Topics; Materials Science; Optics; Physics
GA EI4LE
UT WOS:000392464400011
ER
PT J
AU Zhang, P
Shen, NH
Koschny, T
Soukoulis, CM
AF Zhang, Peng
Shen, Nian-Hai
Koschny, Thomas
Soukoulis, Costas M.
TI Surface-Plasmon-Mediated Gradient Force Enhancement and Mechanical State
Transitions of Graphene Sheets
SO ACS PHOTONICS
LA English
DT Article
DE graphene; optical gradient force; surface plasmon; mechanical state
transition
ID OPTICAL FORCES; WAVE-GUIDES; ACTUATION; CAVITY; METAMATERIALS;
RESONANCES; TERAHERTZ
AB Graphene, a two-dimensional material possessing extraordinary properties in electronics as well as mechanics, provides a great platform for various optoelectronic and optomechanical devices. Here, we theoretically study the optical gradient force arising from the coupling of surface plasmon modes on parallel graphene sheets, which can be several orders stronger than that between regular dielectric waveguides. Furthermore, with an energy functional optimization model, possible force-induced deformation of graphene sheets is calculated. We show that the significantly enhanced optical gradient force may lead to mechanical state transitions of graphene sheets, which are accompanied by abrupt changes in reflection and transmission spectra of the system. Our demonstrations illustrate the potential for broader graphene-related applications such as force sensors and actuators.
C1 [Zhang, Peng; Shen, Nian-Hai; Koschny, Thomas; Soukoulis, Costas M.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
[Zhang, Peng; Shen, Nian-Hai; Koschny, Thomas; Soukoulis, Costas M.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.
[Soukoulis, Costas M.] FORTH, Inst Elect Struct & Laser, Iraklion 71110, Crete, Greece.
RP Shen, NH; Soukoulis, CM (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA.; Shen, NH; Soukoulis, CM (reprint author), Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.; Soukoulis, CM (reprint author), FORTH, Inst Elect Struct & Laser, Iraklion 71110, Crete, Greece.
EM nhshen@ameslab.gov; soukoulis@ameslab.gov
RI Soukoulis, Costas/A-5295-2008
FU U.S. Department of Energy, Office of Basic Energy Science, Division of
Materials Sciences and Engineering (U.S. Department of Energy)
[DE-AC02-07CH11358]; U.S. Office of Naval Research [N00014-14-1-0474];
ERC [320081]
FX P.Z. and N.-H.S. thank Y. Sun, X. Zhao, and C. Liu for helpful
discussions on computational techniques and optimization methods. Work
at Ames Lab was partially supported by the U.S. Department of Energy,
Office of Basic Energy Science, Division of Materials Sciences and
Engineering (Ames Laboratory is operated for the U.S. Department of
Energy by Iowa State University under Contract No. DE-AC02-07CH11358),
by the U.S. Office of Naval Research Award No. N00014-14-1-0474
(simulations), and by ERC Grant No. 320081 (PHOTOMETA) (theory).
NR 38
TC 0
Z9 0
U1 13
U2 13
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2330-4022
J9 ACS PHOTONICS
JI ACS Photonics
PD JAN
PY 2017
VL 4
IS 1
BP 181
EP 187
DI 10.1021/acsphotonics.6b00866
PG 7
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Optics; Physics, Applied; Physics, Condensed Matter
SC Science & Technology - Other Topics; Materials Science; Optics; Physics
GA EI4LE
UT WOS:000392464400022
ER
PT S
AU Hommer, GM
Park, JS
Collins, PC
Pilchak, AL
Stebner, AP
AF Hommer, G. M.
Park, J. S.
Collins, P. C.
Pilchak, A. L.
Stebner, A. P.
BE Yoshida, S
Lamberti, L
Sciammarella, C
TI A New In Situ Planar Biaxial Far-Field High Energy Diffraction
Microscopy Experiment
SO ADVANCEMENT OF OPTICAL METHODS IN EXPERIMENTAL MECHANICS, VOL 3
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT SEM Annual Conference and Exposition on Experimental and Applied
Mechanics
CY JUN 06-09, 2016
CL Orlando, FL
SP Soc Expt Mech
DE Multiaxial; Experimental mechanics; Cruciform specimen design; Plane
stress experiment; X-ray diffraction
ID SUBSEQUENT YIELD SURFACE; CRUCIFORM SPECIMENS; SHAPED SPECIMENS; FAST
METHODOLOGY; STRAIN ANALYSIS; DEFORMATION; DESIGN; OPTIMIZATION;
ORIENTATION; THOUSANDS
AB A new experimental platform that combines far-field high-energy diffraction microscopy (HEDM) and in situ planar biaxial loading is presented. The HEDM X-ray diffraction technique, which allows for non-destructive 3D microstructure measurements via serial reconstructions of 2D diffraction patterns, is briefly reviewed. Design attributes of a custom planar biaxial load frame and a new cruciform sample geometry for in situ HEDM experimentation are presented in detail. During the HEDM measurements, this new planar biaxial platform is capable of arbitrary combinations of tension and compression loading for studying full plane stress yield loci while localized gage stresses up to 1.8 GPa are generated with minimal influence from the cruciform geometry stress concentrations. The combination of these experimental capabilities demonstrates an ability to solve a long-standing problem of planar biaxial experimentation on nonlinear materials with unknown constitutive relations: how to measure the gage stress. Finite element results for isotropic elasticity are compared with classical plane stress analysis and digital image correlation (DIC) measurements, and all were found to be in good agreement.
C1 [Hommer, G. M.; Stebner, A. P.] Colorado Sch Mines, Dept Mech Engn, Brown Hall W350,1610 Illinois St, Golden, CO 80401 USA.
[Park, J. S.] Argonne Natl Lab, Mat Phys & Engn Xray Sci Div, Adv Photon Source, 9700 S Cass Ave,Bldg 431-A004, Lemont, IL 60439 USA.
[Collins, P. C.] Iowa State Univ, Mat Sci & Engn, 2240 Hoover Hall,528 Bissell Rd, Ames, IA 50011 USA.
[Pilchak, A. L.] US Air Force, Res Lab, Wright Patterson AFB, OH 45433 USA.
RP Stebner, AP (reprint author), Colorado Sch Mines, Dept Mech Engn, Brown Hall W350,1610 Illinois St, Golden, CO 80401 USA.
EM astebner@mines.edu
OI Collins, Peter/0000-0002-3441-2981
NR 27
TC 0
Z9 0
U1 1
U2 1
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-41600-7; 978-3-319-41599-4
J9 C PROC SOC EXP MECH
PY 2017
BP 61
EP 70
DI 10.1007/978-3-319-41600-7_7
PG 10
WC Engineering, Mechanical; Mechanics; Optics; Imaging Science &
Photographic Technology
SC Engineering; Mechanics; Optics; Imaging Science & Photographic
Technology
GA BG8EO
UT WOS:000392264400007
ER
PT J
AU Balaji, AB
Bowles, KE
Hess, KL
Smith, JC
Paz-Bailey, G
AF Balaji, Alexandra B.
Bowles, Kristina E.
Hess, Kristen L.
Smith, Justin C.
Paz-Bailey, Gabriela
CA NHBS Study Grp
TI Association Between Enacted Stigma and HIV-Related Risk Behavior Among
MSM, National HIV Behavioral Surveillance System, 2011
SO AIDS AND BEHAVIOR
LA English
DT Article
DE MSM; Stigma; National HIV Behavioral Surveillance System; HIV-related
risk behavior
ID SEXUAL RISK; UNITED-STATES; GAY MEN; MINORITY STRESS; BISEXUAL
POPULATIONS; LATINO MEN; RURAL MEN; HEALTH; DISCRIMINATION; IMPACT
AB MSM bear a disproportionate burden of the HIV epidemic. Enacted stigma (overt negative actions) against sexual minorities may play an important role in increasing HIV risk among this population. Using data from the 2011 National HIV Behavioral Surveillance system, MSM cycle, we examined the independent associations between three measures of enacted stigma (verbal harassment, discrimination, physical assault) and engagement in each of four HIV-related risk behaviors as outcomes: condomless anal intercourse (CAI) at last sex with a male partner of HIV discordant or unknown status and, in the past 12 months, CAI with a male partner, >= 4 male sex partners, and exchange sex. Of 9819 MSM, 32% experienced verbal harassment in the past 12 months, 23% experienced discrimination, and 8% experienced physical assault. Discordant CAI at last sex with a male partner was associated with previous discrimination and physical assault. Past 12 month CAI with a male partner, >= 4 male sex partners, and exchange sex were each associated with verbal harassment, discrimination, and physical assault. These findings indicate that a sizable proportion of MSM report occurrences of past 12 month enacted stigma and suggest that these experiences may be associated with HIV-related risk behavior. Addressing stigma towards sexual minorities must involve an integrated, multi-faceted approach, including interventions at the individual, community, and societal level.
C1 [Balaji, Alexandra B.; Bowles, Kristina E.; Hess, Kristen L.; Paz-Bailey, Gabriela] Ctr Dis Control & Prevent, Div HIV AIDS Prevent, Natl Ctr HIV AIDS Viral Hepatitis STD & TB Preven, Atlanta, GA 30333 USA.
[Smith, Justin C.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA.
RP Balaji, AB (reprint author), Ctr Dis Control & Prevent, Div HIV AIDS Prevent, Natl Ctr HIV AIDS Viral Hepatitis STD & TB Preven, 1600 Clifton Rd,NE MS E-46, Atlanta, GA 30333 USA.
EM dvi7@cdc.gov
FU Centers for Disease Control and Prevention administered by the Oak Ridge
Institute for Science and Education
FX The findings and conclusions in this report are those of the authors and
do not necessarily represent the official position of the Centers for
Disease Control and Prevention. This research was supported in part by
an appointment to the Research Participation Program at the Centers for
Disease Control and Prevention administered by the Oak Ridge Institute
for Science and Education through an interagency agreement between the
U.S. Department of Energy and CDC.
NR 66
TC 0
Z9 0
U1 2
U2 2
PU SPRINGER/PLENUM PUBLISHERS
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1090-7165
EI 1573-3254
J9 AIDS BEHAV
JI AIDS Behav.
PD JAN
PY 2017
VL 21
IS 1
BP 227
EP 237
DI 10.1007/s10461-016-1599-z
PG 11
WC Public, Environmental & Occupational Health; Social Sciences, Biomedical
SC Public, Environmental & Occupational Health; Biomedical Social Sciences
GA EI2HE
UT WOS:000392306700020
PM 27830344
ER
PT J
AU Jensen, P
Tran, T
Fritz, B
Rutz, F
Ross, S
Gorton, A
Devanathan, R
Plante, P
Trainor, K
AF Jensen, Philip
Tran, Tracy
Fritz, Bradley
Rutz, Frederick
Ross, Steven
Gorton, Alicia
Devanathan, Ram
Plante, Paul
Trainor, Kevin
TI Preliminary Evaluation of the DUSTRAN Modeling Suite for Modeling
Atmospheric Chloride Transport
SO AIR QUALITY ATMOSPHERE AND HEALTH
LA English
DT Article
DE Air quality; Sea salt aerosol; Atmospheric modeling
ID SEA; AEROSOL
AB This study investigates the potential of DUSTRAN, a dust dispersion modeling system developed by Pacific Northwest National Laboratory, to model the transport of sea salt aerosols (SSA). Results from DUSTRAN simulations run with historical meteorological data were compared against privately-measured chloride data at the near coastal Maine Yankee Nuclear Power Plant (NPP) and the Environmental Protection Agency-measured CASTNET data from Acadia National Park (NP). The comparisons have provided both encouragement as to the practical value of DUSTRAN's CALPUFF model and suggestions for further software development opportunities. All modeled concentrations were within one order of magnitude of those measured and a few test cases showed excellent agreement between modeled and measured concentrations. However, there is a lack of consistency which may be due to inaccurate extrapolation of meteorological data, underlying model physics, and the source term. Future research will refine the software to better capture physical phenomena. Overall, results indicate that with parameter refinement, DUSTRAN has the potential to simulate atmospheric chloride transport from known sources to inland sites for the purpose of determining the corrosion susceptibility of various structures, systems, and components (SSC) at near coastal sites, and for other relevant air quality studies.
C1 [Jensen, Philip; Fritz, Bradley; Rutz, Frederick; Ross, Steven; Gorton, Alicia; Devanathan, Ram] Pacific Northwest Natl Lab, 902 Battelle Blvd, Richland, WA 99354 USA.
[Tran, Tracy] Univ Washington, Seattle, WA 98195 USA.
[Plante, Paul] Yankee Co, Portland, ME USA.
[Trainor, Kevin] Ransom Consulting, Portland, ME USA.
RP Jensen, P (reprint author), Pacific Northwest Natl Lab, 902 Battelle Blvd, Richland, WA 99354 USA.
EM philip.jensen@pnnl.gov
OI Devanathan, Ram/0000-0001-8125-4237
FU Laboratory Directed Research and Development program within the Energy
and Environment Directorate at Pacific Northwest National Laboratory;
U.S. Department of Energy Office of Fossil Energy Mickey Leland Energy
Fellowship program
FX This work was supported by the Laboratory Directed Research and
Development program within the Energy and Environment Directorate at
Pacific Northwest National Laboratory and the U.S. Department of Energy
Office of Fossil Energy Mickey Leland Energy Fellowship program. The
DUSTRAN code package and supporting documentation is freely available
and can be found at http://dustran.pnnl.gov/dustran.stm.
NR 13
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER INTERNATIONAL PUBLISHING AG
PI CHAM
PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND
SN 1873-9318
EI 1873-9326
J9 AIR QUAL ATMOS HLTH
JI Air Qual. Atmos. Health
PD JAN
PY 2017
VL 10
IS 1
BP 25
EP 31
DI 10.1007/s11869-016-0404-5
PG 7
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA EI0CW
UT WOS:000392140700003
ER
PT J
AU Abbasi, RU
Abe, M
Othman, MAB
Abu-Zayyad, T
Allen, M
Anderson, R
Azuma, R
Barcikowski, E
Belz, JW
Bergman, DR
Besson, D
Blake, SA
Byrne, M
Cady, R
Chae, MJ
Cheon, BG
Chiba, J
Chikawa, M
Cho, WR
Farhang-Boroujeny, B
Fujii, T
Fukushima, M
Gillma, WH
Goto, T
Hanlon, W
Hanson, JC
Hayashi, Y
Hayashida, N
Hibino, K
Honda, K
Ikeda, D
Inoue, N
Ishii, T
Ishimori, R
Ito, H
Ivanov, D
Jayanthmurthy, C
Jui, CCH
Kadota, K
Kakimoto, E
Kalashev, O
Kasahara, K
Kawai, H
Kawakami, S
Kawana, S
Kawata, K
Kido, E
Kim, HB
Kim, JH
Kim, JH
Kitamura, S
Kitamura, Y
Kunwar, S
Kuzmin, V
Kwon, YJ
Lan, J
Lim, SI
Lundquist, JP
Machida, K
Martens, K
Matsuda, T
Matsuyama, T
Matthews, JN
Minamino, M
Mukai, K
Myers, I
Nagasawa, K
Nagataki, S
Nakamura, T
Nonaka, T
Nozato, A
Ogio, S
Ogura, J
Ohnishi, M
Ohoka, H
Oki, K
Okuda, T
Ono, M
Oshima, A
Ozawa, S
Park, IH
Prohira, S
Pshirkov, MS
Rezazadeh-Reyhani, A
Rodriguez, DC
Rubtsov, G
Ryu, D
Sagawa, H
Sakurai, N
Sampson, AL
Scott, LM
Schurig, D
Shah, PD
Shibata, F
Shibata, T
Shimodaira, H
Shin, BK
Smith, JD
Sokolsky, P
Springer, RW
Stokes, BT
Stratton, SR
Stroman, TA
Suzawa, T
Takai, H
Takamura, M
Takeda, M
Takeishi, R
Taketa, A
Takita, M
Tameda, Y
Tanaka, H
Tanaka, K
Tanaka, M
Thomas, SB
Thomson, GB
Tinyakov, P
Tkachev, I
Tokuno, H
Tomida, T
Troitsky, S
Tsunesada, Y
Tsutsumi, K
Uchihori, Y
Udo, S
Urban, F
Vasiloff, G
Venkatesh, S
Wong, T
Yamane, R
Yamaoka, H
Yamazaki, K
Yang, J
Yashiro, K
Yoneda, Y
Yoshida, S
Yoshii, H
Zollinger, R
Zundel, Z
AF Abbasi, R. U.
Abe, M.
Othman, M. Abou Bakr
Abu-Zayyad, T.
Allen, M.
Anderson, R.
Azuma, R.
Barcikowski, E.
Belz, J. W.
Bergman, D. R.
Besson, D.
Blake, S. A.
Byrne, M.
Cady, R.
Chae, M. J.
Cheon, B. G.
Chiba, J.
Chikawa, M.
Cho, W. R.
Farhang-Boroujeny, B.
Fujii, T.
Fukushima, M.
Gillma, W. H.
Goto, T.
Hanlon, W.
Hanson, J. C.
Hayashi, Y.
Hayashida, N.
Hibino, K.
Honda, K.
Ikeda, D.
Inoue, N.
Ishii, T.
Ishimori, R.
Ito, H.
Ivanov, D.
Jayanthmurthy, C.
Jui, C. C. H.
Kadota, K.
Kakimoto, E.
Kalashev, O.
Kasahara, K.
Kawai, H.
Kawakami, S.
Kawana, S.
Kawata, K.
Kido, E.
Kim, H. B.
Kim, J. H.
Kim, J. H.
Kitamura, S.
Kitamura, Y.
Kunwar, S.
Kuzmin, V.
Kwon, Y. J.
Lan, J.
Lim, S. I.
Lundquist, J. P.
Machida, K.
Martens, K.
Matsuda, T.
Matsuyama, T.
Matthews, J. N.
Minamino, M.
Mukai, K.
Myers, I.
Nagasawa, K.
Nagataki, S.
Nakamura, T.
Nonaka, T.
Nozato, A.
Ogio, S.
Ogura, J.
Ohnishi, M.
Ohoka, H.
Oki, K.
Okuda, T.
Ono, M.
Oshima, A.
Ozawa, S.
Park, I. H.
Prohira, S.
Pshirkov, M. S.
Rezazadeh-Reyhani, A.
Rodriguez, D. C.
Rubtsov, G.
Ryu, D.
Sagawa, H.
Sakurai, N.
Sampson, A. L.
Scott, L. M.
Schurig, D.
Shah, P. D.
Shibata, F.
Shibata, T.
Shimodaira, H.
Shin, B. K.
Smith, J. D.
Sokolsky, P.
Springer, R. W.
Stokes, B. T.
Stratton, S. R.
Stroman, T. A.
Suzawa, T.
Takai, H.
Takamura, M.
Takeda, M.
Takeishi, R.
Taketa, A.
Takita, M.
Tameda, Y.
Tanaka, H.
Tanaka, K.
Tanaka, M.
Thomas, S. B.
Thomson, G. B.
Tinyakov, P.
Tkachev, I.
Tokuno, H.
Tomida, T.
Troitsky, S.
Tsunesada, Y.
Tsutsumi, K.
Uchihori, Y.
Udo, S.
Urban, F.
Vasiloff, G.
Venkatesh, S.
Wong, T.
Yamane, R.
Yamaoka, H.
Yamazaki, K.
Yang, J.
Yashiro, K.
Yoneda, Y.
Yoshida, S.
Yoshii, H.
Zollinger, R.
Zundel, Z.
TI First upper limits on the radar cross section of cosmic-ray induced
extensive air showers
SO ASTROPARTICLE PHYSICS
LA English
DT Article
DE Cosmic ray; Radar; Digital signal processing; Radar cross-section
ID TELESCOPE ARRAY EXPERIMENT; COLLISION FREQUENCY; SURFACE DETECTOR;
ELECTRONS; MOLECULES; SPECTRUM; PHOTONS
AB TARA (Telescope Array Radar) is a cosmic ray radar detection experiment colocated with Telescope Array, the conventional surface scintillation detector (SD) and fluorescence telescope detector (FD) near Delta, Utah, U.S.A. The TARA detector combines a 40 kW, 54.1 MHz VHF transmitter and high-gain transmitting antenna which broadcasts the radar carrier over the SD array and within the FD field of view, towards a 250 MS/s DAQ receiver. TARA has been collecting data since 2013 with the primary goal of observing the radar signatures of extensive air showers (EAS). Simulations indicate that echoes are expected to be short in duration (similar to 10 mu s) and exhibit rapidly changing frequency, with rates on the order 1 MHz/mu s. The EAS radar cross-section (RCS) is currently unknown although it is the subject of over 70 years of speculation. A novel signal search technique is described in which the expected radar echo of a particular air shower is used as a matched filter template and compared to waveforms obtained by triggering the radar DAQ using the Telescope Array fluorescence detector. No evidence for the scattering of radio frequency radiation by EAS is obtained to date. We report the first quantitative RCS upper limits using EAS that triggered the Telescope Array Fluorescence Detector. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Abbasi, R. U.; Abu-Zayyad, T.; Allen, M.; Anderson, R.; Barcikowski, E.; Belz, J. W.; Bergman, D. R.; Blake, S. A.; Byrne, M.; Cady, R.; Hanlon, W.; Ivanov, D.; Jui, C. C. H.; Kim, J. H.; Lan, J.; Lundquist, J. P.; Matthews, J. N.; Myers, I.; Rodriguez, D. C.; Sampson, A. L.; Shah, P. D.; Smith, J. D.; Sokolsky, P.; Springer, R. W.; Stokes, B. T.; Stratton, S. R.; Stroman, T. A.; Thomas, S. B.; Thomson, G. B.; Vasiloff, G.; Wong, T.; Zollinger, R.; Zundel, Z.] Univ Utah, High Energy Astrophys Inst, Salt Lake City, UT 84112 USA.
[Abbasi, R. U.; Abu-Zayyad, T.; Allen, M.; Anderson, R.; Barcikowski, E.; Belz, J. W.; Bergman, D. R.; Blake, S. A.; Byrne, M.; Cady, R.; Hanlon, W.; Ivanov, D.; Jui, C. C. H.; Kim, J. H.; Lan, J.; Lundquist, J. P.; Matthews, J. N.; Myers, I.; Rodriguez, D. C.; Sampson, A. L.; Shah, P. D.; Smith, J. D.; Sokolsky, P.; Springer, R. W.; Stokes, B. T.; Stratton, S. R.; Stroman, T. A.; Thomas, S. B.; Thomson, G. B.; Vasiloff, G.; Wong, T.; Zollinger, R.; Zundel, Z.] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA.
[Abe, M.; Inoue, N.; Kawana, S.; Nagasawa, K.; Suzawa, T.] Saitama Univ, Grad Sch Sci & Engn, Saitama, Saitama, Japan.
[Othman, M. Abou Bakr; Farhang-Boroujeny, B.; Jayanthmurthy, C.; Rezazadeh-Reyhani, A.; Schurig, D.; Venkatesh, S.] Univ Utah, Dept Elect & Comp Engn, Salt Lake City, UT USA.
[Azuma, R.; Ishimori, R.; Kakimoto, E.; Kitamura, S.; Kitamura, Y.; Ogura, J.; Tokuno, H.; Tsutsumi, K.] Tokyo Inst Technol, Grad Sch Sci & Engn, Meguro Ku, Tokyo, Japan.
[Besson, D.; Hanson, J. C.; Kunwar, S.; Prohira, S.] Univ Kansas, Lawrence, KS 66045 USA.
[Besson, D.] Moscow Engn & Phys Inst, Moscow, Russia.
[Chae, M. J.; Lim, S. I.; Yang, J.] Ewha Womans Univ, Dept Phys, Seoul, South Korea.
[Chae, M. J.; Lim, S. I.; Yang, J.] Ewha Womans Univ, Inst Early Universe, Seoul, South Korea.
[Cheon, B. G.; Kim, H. B.; Shin, B. K.] Hanyang Univ, Dept Phys, Seoul, South Korea.
[Cheon, B. G.; Kim, H. B.; Shin, B. K.] Hanyang Univ, Res Inst Nat Sci, Seoul, South Korea.
[Chiba, J.; Takamura, M.; Yashiro, K.] Tokyo Univ Sci, Dept Phys, Noda, Chiba, Japan.
[Chikawa, M.; Nozato, A.] Kinki Univ, Dept Phys, Higashiosaka, Osaka, Japan.
[Cho, W. R.; Kwon, Y. J.] Yonsei Univ, Dept Phys, Seoul, South Korea.
[Fujii, T.; Fukushima, M.; Ikeda, D.; Kawata, K.; Kido, E.; Nonaka, T.; Ohnishi, M.; Ohoka, H.; Oki, K.; Sagawa, H.; Shibata, T.; Shimodaira, H.; Takeda, M.; Takeishi, R.; Takita, M.; Urban, F.] Univ Tokyo, Inst Cosm Ray Res, Kashiwa, Chiba, Japan.
[Martens, K.] Univ Tokyo, Todai Inst Adv Study, Kavli Inst Phys & Math Universe WPI, Kashiwa, Chiba, Japan.
[Gillma, W. H.] Gillman & Associates, Salt Lake City, UT USA.
[Goto, T.; Hayashi, Y.; Kawakami, S.; Matsuyama, T.; Minamino, M.; Ogio, S.; Sakurai, N.; Tanaka, H.; Tsunesada, Y.; Yamane, R.; Yamazaki, K.; Yoneda, Y.] Osaka City Univ, Grad Sch Sci, Osaka, Osaka, Japan.
[Hibino, K.; Tameda, Y.] Kanagawa Univ, Fac Engn, Yokohama, Kanagawa, Japan.
[Honda, K.; Ishii, T.; Machida, K.; Mukai, K.; Shibata, F.] Univ Yamanashi, Interdisciplinary Grad Sch Med & Engn, Kofu, Yamanashi, Japan.
[Ito, H.; Nagataki, S.] RIKEN, Astrophys Big Bang Lab, Wako, Saitama, Japan.
[Kadota, K.] Tokyo City Univ, Dept Phys, Setagaya Ku, Tokyo, Japan.
[Kalashev, O.; Kuzmin, V.; Rubtsov, G.; Tinyakov, P.; Tkachev, I.; Troitsky, S.] Natl Nucl Res Univ, Moscow Engn Phys Inst, Moscow, Russia.
[Kasahara, K.; Ozawa, S.] Waseda Univ, Adv Res Inst Sci & Engn, Shinjuku Ku, Tokyo, Japan.
[Kawai, H.; Yoshida, S.] Chiba Univ, Dept Phys, Chiba, Chiba, Japan.
[Kim, J. H.; Ryu, D.] Ulsan Natl Inst Sci & Technol, Sch Nat Sci, Dept Phys, UNIST Gil, Ulsan, South Korea.
[Matsuda, T.; Tanaka, M.; Yamaoka, H.] KEK, Inst Particle & Nucl Studies, Tsukuba, Ibaraki, Japan.
[Nakamura, T.] Kochi Univ, Fac Sci, Kochi, Kochi, Japan.
[Okuda, T.] Ritsumeikan Univ, Dept Phys Sci, Kusatsu, Shiga, Japan.
[Ono, M.] Kyushu Univ, Dept Phys, Fukuoka, Fukuoka, Japan.
[Oshima, A.] Chubu Univ, Engn Sci Lab, Kasugai, Aichi, Japan.
[Park, I. H.] Sungkyunkwan Univ, Dept Phys, Suwon, South Korea.
[Pshirkov, M. S.] Moscow MV Lomonosov State Univ, Sternberg Astron Inst, Moscow, Russia.
[Scott, L. M.] Rutgers Univ State Univ New Jersey, Dept Phys & Astron, Piscataway, NJ USA.
[Takai, H.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Taketa, A.] Univ Tokyo, Earthquake Res Inst, Bunkyo Ku, Tokyo, Japan.
[Tanaka, K.] Hiroshima City Univ, Grad Sch Informat Sci, Hiroshima, Hiroshima, Japan.
[Urban, F.] Univ Libre Bruxelles, Serv Phys Theor, Brussels, Belgium.
[Tomida, T.] Shinshu Univ, Dept Comp Sci & Engn, Nagano, Nagano, Japan.
[Uchihori, Y.] Natl Inst Radiol Sci, Chiba, Chiba, Japan.
[Yoshii, H.] Ehime Univ, Dept Phys, Matsuyama, Ehime, Japan.
RP Belz, JW (reprint author), Univ Utah, High Energy Astrophys Inst, Salt Lake City, UT 84112 USA.; Belz, JW (reprint author), Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA.
EM belz@physics.utah.edu
RI Troitsky, Sergey/C-1377-2014;
OI Troitsky, Sergey/0000-0001-6917-6600; Venkatesh,
Suresh/0000-0002-9867-3021
FU NSF [PHY-0969865, PHY-1126353, PHY-1148091]; W.M. Keck Foundation; Japan
Society for the Promotion of Science [21000002, 19104006];
Inter-University Research Program of the Institute for Cosmic Ray
Research; U.S. National Science Foundation [PHY-0307098, PHY-0601915,
PHY-0649681, PHY-0703893, PHY-0758342, PHY-0848320, PHY-1069280,
PHY-1069286, PHY-1404495, PHY-1404502]; National Research Foundation of
Korea [2007-0093860, R32-10130, 2012R1A1A2008381, 2013004883]; Russian
Academy of Sciences; RFBR [11-02-01528a, 13-02-01311a]; IISN
[4.4509.10]; Belgian Science Policy [IUAP VII/37]; State of Utah through
its Economic Development Board; University of Utah through the Office of
the Vice President for Research
FX TARA is supported by NSF PHY-0969865, PHY-1126353 (MRI), PHY-1148091,
and the W.M. Keck Foundation. The Telescope Array experiment is
supported by the Japan Society for the Promotion of Science through
Grants-in-Aids for Scientific Research on Specially Promoted Research
(21000002) "Extreme Phenomena in the Universe Explored by Highest Energy
Cosmic Rays" and for Scientific Research (19104006), and the
Inter-University Research Program of the Institute for Cosmic Ray
Research; by the U.S. National Science Foundation awards PHY-0307098,
PHY-0601915, PHY-0649681, PHY-0703893, PHY-0758342, PHY-0848320,
PHY1069280, PHY-1069286, PHY-1404495 and PHY-1404502; by the National
Research Foundation of Korea (2007-0093860, R32-10130, 2012R1A1A2008381,
2013004883); by the Russian Academy of Sciences, RFBR grants
11-02-01528a and 13-02-01311a (INR), IISN project No. 4.4509.10 and
Belgian Science Policy under IUAP VII/37 (ULB). The foundations of Dr.
Ezekiel R. and Edna Wattis Dumke, Willard L. Eccles and the George S.
and Dolores Dore Eccles all helped with generous donations. The State of
Utah supported the project through its Economic Development Board, and
the University of Utah through the Office of the Vice President for
Research. The experimental site became available through the cooperation
of the Utah School and Institutional Trust Lands Administration (SITLA),
U.S. Bureau of Land Management, and the U.S. Air Force. We also wish to
thank the people and the officials of Millard County, Utah for their
steadfast and warm support. We gratefully acknowledge the contributions
from the technical staffs of our home institutions. An allocation of
computer time from the Center for High Performance Computing at the
University of Utah is gratefully acknowledged.
NR 40
TC 0
Z9 0
U1 0
U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0927-6505
EI 1873-2852
J9 ASTROPART PHYS
JI Astropart Phys.
PD JAN
PY 2017
VL 87
BP 1
EP 17
DI 10.1016/j.astropartphys.2016.11.006
PG 17
WC Astronomy & Astrophysics; Physics, Particles & Fields
SC Astronomy & Astrophysics; Physics
GA EI7PL
UT WOS:000392690300001
ER
PT J
AU Grefenstette, BW
Fryer, CL
Harrison, FA
Boggs, SE
DeLaney, T
Laming, JM
Reynolds, SP
Alexander, DM
Barret, D
Christensen, FE
Craig, WW
Forster, K
Giommi, P
Hailey, CJ
Hornstrup, A
Kitaguchi, T
Koglin, JE
Lopez, L
Mao, PH
Madsen, KK
Miyasaka, H
Mori, K
Perri, M
Pivovaroff, MJ
Puccetti, S
Rana, V
Stern, D
Westergaard, NJ
Wik, DR
Zhang, WW
Zoglauer, A
AF Grefenstette, Brian W.
Fryer, Chris L.
Harrison, Fiona A.
Boggs, Steven E.
DeLaney, Tracey
Laming, J. Martin
Reynolds, Stephen P.
Alexander, David M.
Barret, Didier
Christensen, Finn E.
Craig, William W.
Forster, Karl
Giommi, Paolo
Hailey, Charles J.
Hornstrup, Alan
Kitaguchi, Takao
Koglin, J. E.
Lopez, Laura
Mao, Peter H.
Madsen, Kristin K.
Miyasaka, Hiromasa
Mori, Kaya
Perri, Matteo
Pivovaroff, Michael J.
Puccetti, Simonetta
Rana, Vikram
Stern, Daniel
Westergaard, Niels J.
Wik, Daniel R.
Zhang, William W.
Zoglauer, Andreas
TI THE DISTRIBUTION OF RADIOACTIVE Ti-44 IN CASSIOPEIA A
SO ASTROPHYSICAL JOURNAL
LA English
DT Article
DE gamma rays: general; ISM: supernova remnants; nuclear reactions,
nucleosynthesis, abundances; X-rays: individual (Cassiopeia A)
ID CORE-COLLAPSE SUPERNOVAE; RAY EMISSION-LINES; 3-DIMENSIONAL STRUCTURE;
REMNANT CASSIOPEIA; NEUTRON-STAR; CAS-A; EJECTA; EXPLOSION; CONSTRAINTS;
ENERGY
AB The distribution of elements produced in the innermost layers of a supernova explosion is a key diagnostic for studying the collapse of massive stars. Here we present the results of a 2.4 Ms NuSTAR observing campaign aimed at studying the supernova remnant Cassiopeia A (Cas A). We perform spatially resolved spectroscopic analyses of the Ti-44 ejecta, which we use to determine the Doppler shift and thus the three-dimensional (3D) velocities of the 44Ti ejecta. We find an initial Ti-44 mass of (1.54 +/- 0.21) x 10(-4) M-circle dot, which has a present-day average momentum direction of 340 degrees +/- 15 degrees projected onto the plane of the sky (measured clockwise from celestial north) and is tilted by 58 degrees +/- 20 degrees into the plane of the sky away from the observer, roughly opposite to the inferred direction of motion of the central compact object. We find some Ti-44 ejecta that are clearly interior to the reverse shock and some that are clearly exterior to it. Where we observe Ti-44 ejecta exterior to the reverse shock we also see shock-heated iron; however, there are regions where we see iron but do not observe Ti-44. This suggests that the local conditions of the supernova shock during explosive nucleosynthesis varied enough to suppress the production of Ti-44 by at least a factor of two in some regions, even in regions that are assumed to be the result of processes like alpha-rich freezeout that should produce both iron and titanium.
C1 [Grefenstette, Brian W.; Harrison, Fiona A.; Forster, Karl; Mao, Peter H.; Madsen, Kristin K.; Miyasaka, Hiromasa; Rana, Vikram] CALTECH, Cahill Ctr Astrophys, 1216 E Calif Blvd, Pasadena, CA 91125 USA.
[Fryer, Chris L.] Los Alamos Natl Lab, CCS 2, Los Alamos, NM 87545 USA.
[Boggs, Steven E.; Craig, William W.; Zoglauer, Andreas] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA.
[DeLaney, Tracey] West Virginia Wesleyan Coll, Phys & Engn Dept, Buckhannon, WV 26201 USA.
[Laming, J. Martin] Naval Res Lab, Div Space Sci, Code 7684, Washington, DC 20375 USA.
[Reynolds, Stephen P.] NC State Univ, Dept Phys, Raleigh, NC 27695 USA.
[Alexander, David M.] Univ Durham, Dept Phys, Ctr Extragalact Astron, Durham DH1 3LE, England.
[Barret, Didier] Univ Toulouse, UPS OMP, IRAP, Toulouse, France.
[Barret, Didier] CNRS, Inst Rech Astrophys & Planetol, 9 Ave Colonel Roche,BP 44346, F-31028 Toulouse 4, France.
[Christensen, Finn E.; Hornstrup, Alan; Westergaard, Niels J.] Tech Univ Denmark, DTU Space Natl Space Inst, Elektrovej 327, DK-2800 Lyngby, Denmark.
[Craig, William W.; Pivovaroff, Michael J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Giommi, Paolo; Perri, Matteo; Puccetti, Simonetta] ASI Sci Data Ctr ASDC, Via Politecn, I-00133 Rome, Italy.
[Hailey, Charles J.; Mori, Kaya] Columbia Univ, Columbia Astrophys Lab, New York, NY 10027 USA.
[Kitaguchi, Takao] Hiroshima Univ, Dept Phys Sci, 1-3-1 Kagamiyama, Higashihiroshima, Hiroshima 7398526, Japan.
[Koglin, J. E.] SLAC Natl Accelerator Lab, Kavli Inst Particle Astrophys & Cosmol, Menlo Pk, CA 94025 USA.
[Lopez, Laura] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA.
[Lopez, Laura] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA.
[Perri, Matteo; Puccetti, Simonetta] INAF Astron Roma, Via Frascati 33, I-00040 Monte Porzio Catone, Italy.
[Stern, Daniel] CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA.
[Wik, Daniel R.] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA.
[Wik, Daniel R.; Zhang, William W.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA.
RP Grefenstette, BW (reprint author), CALTECH, Cahill Ctr Astrophys, 1216 E Calif Blvd, Pasadena, CA 91125 USA.
EM bwgref@srl.caltech.edu
FU NASA [NNG08FD60C, NNH16AC24I]
FX We would like thank Dan Milisavljevic for providing the [S III] data
files, as well as Thomas Janka, Raph Hix, and Adam Burrows for their
helpful comments. This work was supported under NASA contract NNG08FD60C
and made use of data from the NuSTAR mission, a project led by the
California Institute of Technology, managed by the Jet Propulsion
Laboratory, and funded by NASA. J.M.L. was supported by the NASA ADAP
grant NNH16AC24I.
NR 52
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0004-637X
EI 1538-4357
J9 ASTROPHYS J
JI Astrophys. J.
PD JAN 1
PY 2017
VL 834
IS 1
AR 19
DI 10.3847/1538-4357/834/1/19
PG 13
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA EH6GR
UT WOS:000391871500007
ER
PT J
AU Ekman, AA
Chen, JH
Guo, J
McDermott, G
Le Gros, MA
Larabell, CA
AF Ekman, Axel A.
Chen, Jian-Hua
Guo, Jessica
McDermott, Gerry
Le Gros, Mark A.
Larabell, Carolyn A.
TI Mesoscale imaging with cryo-light and X-rays: Larger than molecular
machines, smaller than a cell
SO BIOLOGY OF THE CELL
LA English
DT Review
DE Correlated imaging; Cryogenic; Fluorescence; Soft X-ray; Tomography
ID TRANSMISSION ELECTRON TOMOGRAPHY; STRUCTURAL BIOLOGY; CRYOELECTRON
MICROSCOPY; ITERATIVE RECONSTRUCTION; FLUORESCENCE MICROSCOPY; CRYOGENIC
PRESERVATION; ORIENTATION REFINEMENT; PROTEIN LOCALIZATION;
MAMMALIAN-CELLS; DRUG DISCOVERY
AB In the context of cell biology, the term mesoscale describes length scales ranging from that of an individual cell, down to the size of the molecular machines. In this spatial regime, small building blocks self-organise to form large, functional structures. A comprehensive set of rules governing mesoscale self-organisation has not been established, making the prediction of many cell behaviours difficult, if not impossible. Our knowledge of mesoscale biology comes from experimental data, in particular, imaging. Here, we explore the application of soft X-ray tomography (SXT) to imaging the mesoscale, and describe the structural insights this technology can generate. We also discuss how SXT imaging is complemented by the addition of correlative fluorescence data measured from the same cell. This combination of two discrete imaging modalities produces a 3D view of the cell that blends high-resolution structural information with precise molecular localisation data.
C1 [Ekman, Axel A.; Chen, Jian-Hua; Guo, Jessica; McDermott, Gerry; Le Gros, Mark A.; Larabell, Carolyn A.] Univ Calif San Francisco, Sch Med, Dept Anat, San Francisco, CA 94158 USA.
[Le Gros, Mark A.; Larabell, Carolyn A.] Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, Berkeley, CA 94720 USA.
RP Larabell, CA (reprint author), Univ Calif San Francisco, Sch Med, Dept Anat, San Francisco, CA 94158 USA.; Larabell, CA (reprint author), Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, Berkeley, CA 94720 USA.
EM carolyn.larabell@ucsf.edu
FU US Department of Energy, Office of Biological and Environmental Research
[DE-AC02-05CH11231]; National Institutes of General Medicine of the
National Institutes of Health [GM63948]; Gordon and Betty Moore
Foundation
FX This work was funded by the US Department of Energy, Office of
Biological and Environmental Research (DE-AC02-05CH11231), the National
Institutes of General Medicine of the National Institutes of Health
(GM63948) and the Gordon and Betty Moore Foundation.
NR 114
TC 0
Z9 0
U1 3
U2 3
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0248-4900
EI 1768-322X
J9 BIOL CELL
JI Biol. Cell
PD JAN
PY 2017
VL 109
IS 1
BP 24
EP 38
DI 10.1111/boc.201600044
PG 15
WC Cell Biology
SC Cell Biology
GA EI4UV
UT WOS:000392489900002
PM 27690365
ER
PT J
AU Foo, JL
Susanto, AV
Keasling, JD
Leong, SSJ
Chang, MW
AF Foo, Jee Loon
Susanto, Adelia Vicanatalita
Keasling, Jay D.
Leong, Susanna Su Jan
Chang, Matthew Wook
TI Whole-Cell Biocatalytic and De Novo Production of Alkanes From Free
Fatty Acids in Saccharomyces cerevisiae
SO BIOTECHNOLOGY AND BIOENGINEERING
LA English
DT Article
DE alkane; aldehyde; fatty acid; biofuels; metabolic engineering;
whole-cell biocatalysis; de novo biosynthesis
ID CYANOBACTERIAL ALDEHYDE; BIOSYNTHESIS; DECARBONYLASE; BIOFUELS
AB Rapid global industrialization in the past decades has led to extensive utilization of fossil fuels, which resulted in pressing environmental problems due to excessive carbon emission. This prompted increasing interest in developing advanced biofuels with higher energy density to substitute fossil fuels and bio-alkane has gained attention as an ideal drop-in fuel candidate. Production of alkanes in bacteria has been widely studied but studies on the utilization of the robust yeast host, Saccharomyces cerevisiae, for alkane biosynthesis have been lacking. In this proof-of-principle study, we present the unprecedented engineering of S. cerevisiae for conversion of free fatty acids to alkanes. A fatty acid a-dioxygenase from Oryza sativa (rice) was expressed in S. cerevisiae to transform C12-18 free fatty acids to C11-17 aldehydes. Co-expression of a cyanobacterial aldehyde deformylating oxygenase converted the aldehydes to the desired alkanes. We demonstrated the versatility of the pathway by performing whole-cell biocatalytic conversion of exogenous free fatty acid feedstocks into alkanes as well as introducing the pathway into a free fatty acid overproducer for de novo production of alkanes from simple sugar. The results from this work are anticipated to advance the development of yeast hosts for alkane production. (C) 2016 The Authors. Biotechnology and Bioengineering Published by Wiley Periodicals, Inc.
C1 [Foo, Jee Loon; Susanto, Adelia Vicanatalita; Leong, Susanna Su Jan; Chang, Matthew Wook] Natl Univ Singapore, Yong Loo Lin Sch Med, Dept Biochem, Singapore, Singapore.
[Foo, Jee Loon; Susanto, Adelia Vicanatalita; Leong, Susanna Su Jan; Chang, Matthew Wook] Natl Univ Singapore, NUS Synthet Biol Clin & Technol Innovat SynCTI, Inst Life Sci, Singapore, Singapore.
[Keasling, Jay D.] Joint BioEnergy Inst, Emeryville, CA USA.
[Keasling, Jay D.] Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA USA.
[Keasling, Jay D.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
[Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA.
[Leong, Susanna Su Jan] Singapore Inst Technol, Singapore, Singapore.
RP Chang, MW (reprint author), Natl Univ Singapore, Yong Loo Lin Sch Med, Dept Biochem, Singapore, Singapore.; Chang, MW (reprint author), Natl Univ Singapore, NUS Synthet Biol Clin & Technol Innovat SynCTI, Inst Life Sci, Singapore, Singapore.
EM bchcmw@nus.edu.sg
FU Competitive Research Program of the National Research Foundation of
Singapore [NRF-CRP5-2009-03]; Synthetic Biology Initiative of the
National University of Singapore [DPRT/943/09/14]
FX Contract grant sponsor: Competitive Research Program of the National
Research Foundation of Singapore; Contract grant number:
NRF-CRP5-2009-03; Contract grant sponsor: Synthetic Biology Initiative
of the National University of Singapore; Contract grant number:
DPRT/943/09/14
NR 22
TC 3
Z9 3
U1 10
U2 10
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0006-3592
EI 1097-0290
J9 BIOTECHNOL BIOENG
JI Biotechnol. Bioeng.
PD JAN
PY 2017
VL 114
IS 1
BP 232
EP 237
DI 10.1002/bit.25920
PG 6
WC Biotechnology & Applied Microbiology
SC Biotechnology & Applied Microbiology
GA EI5MQ
UT WOS:000392539400023
PM 26717118
ER
PT J
AU Yang, B
Qian, Y
Berg, LK
Ma, PL
Wharton, S
Bulaevskaya, V
Yan, HP
Hou, ZS
Shaw, WJ
AF Yang, Ben
Qian, Yun
Berg, Larry K.
Ma, Po-Lun
Wharton, Sonia
Bulaevskaya, Vera
Yan, Huiping
Hou, Zhangshuan
Shaw, William J.
TI Sensitivity of Turbine-Height Wind Speeds to Parameters in Planetary
Boundary-Layer and Surface-Layer Schemes in the Weather Research and
Forecasting Model
SO BOUNDARY-LAYER METEOROLOGY
LA English
DT Article
DE Parametrization schemes; Parametric sensitivity; Planetary boundary
layer; Surface layer; Turbine-height wind speed; Weather Research and
Forecasting model
ID TURBULENCE CLOSURE-MODEL; FLUX-PROFILE RELATIONSHIPS; ASIAN SUMMER
MONSOON; YAMADA LEVEL-3 MODEL; WRF MODEL; PART I; ENERGY; ATMOSPHERE;
SIMULATION; SHEAR
AB We evaluate the sensitivity of simulated turbine-height wind speeds to 26 parameters within the Mellor-Yamada-Nakanishi-Niino (MYNN) planetary boundary-layer scheme and MM5 surface-layer scheme of the Weather Research and Forecasting model over an area of complex terrain. An efficient sampling algorithm and generalized linear model are used to explore the multiple-dimensional parameter space and quantify the parametric sensitivity of simulated turbine-height wind speeds. The results indicate that most of the variability in the ensemble simulations is due to parameters related to the dissipation of turbulent kinetic energy (TKE), Prandtl number, turbulent length scales, surface roughness, and the von Karman constant. The parameter associated with the TKE dissipation rate is found to be most important, and a larger dissipation rate produces larger hub-height wind speeds. A larger Prandtl number results in smaller nighttime wind speeds. Increasing surface roughness reduces the frequencies of both extremely weak and strong airflows, implying a reduction in the variability of wind speed. All of the above parameters significantly affect the vertical profiles of wind speed and the magnitude of wind shear. The relative contributions of individual parameters are found to be dependent on both the terrain slope and atmospheric stability.
C1 [Yang, Ben] Nanjing Univ, Sch Atmospher Sci, CMA NJU Joint Lab Climate Predict Studies, Inst Climate & Global Change Res, Nanjing, Jiangsu, Peoples R China.
[Yang, Ben; Qian, Yun; Berg, Larry K.; Ma, Po-Lun; Yan, Huiping; Hou, Zhangshuan; Shaw, William J.] Pacific Northwest Natl Lab, POB 999, Richland, WA 99352 USA.
[Wharton, Sonia; Bulaevskaya, Vera] Lawrence Livermore Natl Lab, Livermore, CA USA.
RP Berg, LK (reprint author), Pacific Northwest Natl Lab, POB 999, Richland, WA 99352 USA.
EM larry.berg@pnnl.gov
RI qian, yun/E-1845-2011;
OI Shaw, William/0000-0002-9979-1089
FU U.S. Department of Energy's Wind and Water Power program; U.S.
Department of Energy [DE-AC05-76RL01830]; U.S. Department of Energy,
National Nuclear Security Administration [DE-AC52-07NA27344]; National
Natural Science Foundation of China [41305084]
FX The authors acknowledge Qing Yang, Hui Wan, Chun Zhao, and William
Gustafson Jr. of Pacific Northwest National Laboratory (PNNL) and Joseph
Olson of the National Oceanic and Atmospheric Administration (NOAA) for
valuable discussions. This study is based on work supported by U.S.
Department of Energy's Wind and Water Power program. The Pacific
Northwest National Laboratory is operated for the U.S. Department of
Energy by Battelle Memorial Institute under contract DE-AC05-76RL01830.
Lawrence Livermore National Laboratory is operated by Lawrence Livermore
National Security, LLC, for the U.S. Department of Energy, National
Nuclear Security Administration under Contract DE-AC52-07NA27344. The
work of B.Y. at Nanjing University is supported by the National Natural
Science Foundation of China (41305084). The PNNL Institutional Computing
(PIC) and National Energy Research Scientific Computing Center (NERSC)
provided computational resources. The NARR reanalysis were freely
obtained from CISL Research Data Archive at
http://rda.ucar.edu/datasets/ds608.0/. The WRF model outputs used in
this study are stored at a PNNL cluster and are available upon request
from the corresponding author. Data from CBWES are available from the
U.S. Department of Energy Atmospheric Radiation Measurement (ARM) data
archive.
NR 68
TC 0
Z9 0
U1 7
U2 7
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0006-8314
EI 1573-1472
J9 BOUND-LAY METEOROL
JI Bound.-Layer Meteor.
PD JAN
PY 2017
VL 162
IS 1
BP 117
EP 142
DI 10.1007/s10546-016-0185-2
PG 26
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA EI4XB
UT WOS:000392496000006
ER
PT J
AU Rosner, R
Hearn, A
AF Rosner, Robert
Hearn, Alex
TI What role could nuclear power play in limiting climate change?
SO BULLETIN OF THE ATOMIC SCIENTISTS
LA English
DT Article
DE Nuclear power; climate change; green energy; fossil fuels; wedges;
Socolow
AB Using nuclear power to replace coal-based fossil fuel power plants worldwide by 2100 is within current international technical capabilities. Whether this can actually be accomplished is however a more complicated matter: The possible obstacles involve negative public perception and fears; dealing with the back end of the nuclear fuel cycle, that is, the ultimate disposal of the used nuclear fuel; and the matter on with nuclear power is a political, and not a technical, issue.of security, which becomes a potentially far more serious issue as nuclear power plants proliferate. Thus - surely to no thoughtful person's surprise - whether we can realistically replace fossil fuels as a source for electrical generati
C1 [Rosner, Robert] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA.
[Rosner, Robert] Univ Chicago, Dept Phys, Chicago, IL 60637 USA.
[Rosner, Robert] Argonne Natl Lab, Argonne, IL 60439 USA.
[Hearn, Alex] Univ Chicago, Publ Policy, Specializat Nucl Energy, Chicago, IL 60637 USA.
RP Rosner, R (reprint author), Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA.; Rosner, R (reprint author), Univ Chicago, Dept Phys, Chicago, IL 60637 USA.; Rosner, R (reprint author), Argonne Natl Lab, Argonne, IL 60439 USA.
EM rrosner@icloud.com
NR 3
TC 0
Z9 0
U1 14
U2 14
PU SAGE PUBLICATIONS LTD
PI LONDON
PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND
SN 0096-3402
EI 1938-3282
J9 B ATOM SCI
JI Bull. Atom. Scient.
PD JAN
PY 2017
VL 73
IS 1
SI SI
BP 2
EP 6
DI 10.1080/00963402.2016.1264203
PG 5
WC International Relations; Social Issues
SC International Relations; Social Issues
GA EI3RI
UT WOS:000392408600002
ER
PT J
AU May, MM
AF May, Michael M.
TI Safety first: The future of nuclear energy outside the United States
SO BULLETIN OF THE ATOMIC SCIENTISTS
LA English
DT Article
DE Climate change; nuclear energy; Paris Agreement
AB Nuclear energy, hydroelectric power, and renewables are all needed to meet the goals of the 2015 Paris Agreement on climate change, and the 10 largest emitters of greenhouse gasses all plan to use nuclear power in some way to deal with the climate crisis. In some countries it will be an essential part of low-carbon electricity; in others it will contribute only marginally. While Asian countries plan to have a growing reliance on nuclear power, European nations expect it to play a diminishing but still necessary role. Yet, although each country has different plans and faces different obstacles, the main requirement for carrying out nuclear plans will be the establishment of a cooperative safety culture agreed to by as many nations as possible.
C1 [May, Michael M.] Stanford Univ, Management Sci & Engn, Ctr Int Secur & Cooperat, Stanford, CA 94305 USA.
[May, Michael M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP May, MM (reprint author), Stanford Univ, Management Sci & Engn, Ctr Int Secur & Cooperat, Stanford, CA 94305 USA.; May, MM (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
EM mmay@stanford.edu
NR 7
TC 0
Z9 0
U1 8
U2 8
PU SAGE PUBLICATIONS LTD
PI LONDON
PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND
SN 0096-3402
EI 1938-3282
J9 B ATOM SCI
JI Bull. Atom. Scient.
PD JAN
PY 2017
VL 73
IS 1
SI SI
BP 38
EP 43
DI 10.1080/00963402.2016.1264210
PG 6
WC International Relations; Social Issues
SC International Relations; Social Issues
GA EI3RI
UT WOS:000392408600007
ER
PT S
AU Antoun, BR
Chambers, RS
Emery, JM
Brown, AA
AF Antoun, Bonnie R.
Chambers, Robert S.
Emery, John M.
Brown, Arthur A.
BE Antoun, B
Arzoumanidis, A
Qi, HJ
Silberstein, M
Amirkhizi, A
Furmanski, J
Lu, H
TI Temperature-Dependent Small Strain Plasticity Behavior of 304L Stainless
Steel
SO CHALLENGES IN MECHANICS OF TIME DEPENDENT MATERIALS, VOL 2
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT SEM Annual Conference and Exposition on Experimental and Applied
Mechanics
CY JUN 06-09, 2016
CL Orlando, FL
SP Soc Expt Mech
DE Stainless steel; 304L; Plasticity; Dynamic strain aging; Relaxation;
Temperature-dependent
AB Glass-to-metal seals are used extensively to protect and isolate electronic components. Small strains of just a few percent are typical in the metal during processing of seals, but generate substantial tensile stresses in the glass during the solidification portion of the process. These tensile stresses can lead to glass cracking either immediately or over time, which results in a loss of hermiticity of the seal. Measurement of the metal in the small strain region needs to be very accurate as small differences in the evolving state of the metal have significant influence on the stress state in the glass and glass-metal interfaces. Small strain tensile experiments were conducted over the temperatures range of 25-800 degrees C. Experiments were designed to quantify stress relaxation and reloading combined with mid-test thermal changes. The effect of strain rate was measured by directly varying the applied strain rate during initial loading and reloading and by monitoring the material response during stress relaxation experiments. Coupled thermal mechanical experiments were developed to capture key features of glass-to-metal seal processing details such as synchronized thermal and mechanical loading, thermal excursions at various strain levels, and thermal cycling during stress relaxation or creep loadings. Small changes in the processing cycle parameters were found to have non-insignificant effect on the metal behavior. The resulting data and findings will be presented.
C1 [Antoun, Bonnie R.; Brown, Arthur A.] Sandia Natl Labs, Livermore, CA 94551 USA.
[Chambers, Robert S.; Emery, John M.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
RP Antoun, BR (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA.
EM brantou@sandia.gov
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX Sandia National Laboratories is a multi-program laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U.S. Department of Energy's National Nuclear
Security Administration under contract DE-AC04-94AL85000.
NR 5
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-41543-7; 978-3-319-41542-0
J9 C PROC SOC EXP MECH
PY 2017
BP 141
EP 148
DI 10.1007/978-3-319-41543-7_18
PG 8
WC Engineering, Mechanical; Materials Science, Multidisciplinary;
Mechanics; Materials Science, Characterization & Testing
SC Engineering; Materials Science; Mechanics
GA BG8ES
UT WOS:000392264800018
ER
PT S
AU Li, WL
Gazonas, G
Brown, EN
Rae, PJ
Negahban, M
AF Li, Wenlong
Gazonas, George
Brown, Eric N.
Rae, Philip J.
Negahban, Mehrdad
BE Antoun, B
Arzoumanidis, A
Qi, HJ
Silberstein, M
Amirkhizi, A
Furmanski, J
Lu, H
TI Back Stress in Modeling the Response of PEEK and PC
SO CHALLENGES IN MECHANICS OF TIME DEPENDENT MATERIALS, VOL 2
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT SEM Annual Conference and Exposition on Experimental and Applied
Mechanics
CY JUN 06-09, 2016
CL Orlando, FL
SP Soc Expt Mech
DE Mechanical modeling; Plastic flow; Equilibrium stress; Thermal
expansion; Digital image correlation
ID EQUILIBRIUM STRESS; GLASSY-POLYMERS; DEFORMATION-BEHAVIOR; RELAXATION
BEHAVIOR; GROWTH LAW; OVERSTRESS
AB With the development of new methods for the characterization of equilibrium stress through cyclic loading, it is now possible to follow the evolution of back stress during the nonlinear deformation of polymers. Experiments on PEEK and PC below the glass-transition temperature indicate a back stress that may evolve with plastic deformation, and which is substantially different from that seen during the response in the rubbery range. In particular, the back stress during the response of PC shows the characteristic post-yield softening, possibly indicating that the observed post-yield softening in the response comes from the back stress. This is not seen in PEEK, which also shows no substantial post-yield softening. The equilibrium stress plays a central role in modeling both the quasi-static and dynamic response of PEEK.
C1 [Li, Wenlong; Negahban, Mehrdad] Univ Nebraska, Mech & Mat Engn, W311 Nebraska Hall, Lincoln, NE 68588 USA.
[Gazonas, George] US Army, Res Lab, Aberdeen, MD 21005 USA.
[Brown, Eric N.; Rae, Philip J.] Los Alamos Natl Lab, Los Alamos, NM USA.
RP Negahban, M (reprint author), Univ Nebraska, Mech & Mat Engn, W311 Nebraska Hall, Lincoln, NE 68588 USA.
EM mnegahban@unl.edu
OI Brown, Eric/0000-0002-6812-7820
FU US Army Research Laboratory [W911NF-11-D-0001-0094]
FX The research was partially supported by the US Army Research Laboratory
through Contract Number W911NF-11-D-0001-0094. The experiments were
completed by utilizing the stress analysis facility at the University of
Nebraska-Lincoln.
NR 17
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-41543-7; 978-3-319-41542-0
J9 C PROC SOC EXP MECH
PY 2017
BP 181
EP 186
DI 10.1007/978-3-319-41543-7_23
PG 6
WC Engineering, Mechanical; Materials Science, Multidisciplinary;
Mechanics; Materials Science, Characterization & Testing
SC Engineering; Materials Science; Mechanics
GA BG8ES
UT WOS:000392264800023
ER
PT J
AU Boteju, KC
Ellern, A
Sadow, AD
AF Boteju, Kasuni C.
Ellern, Arkady
Sadow, Aaron D.
TI Homoleptic organolanthanide compounds supported by the
bis(dimethylsilyl)benzyl ligand
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID EARTH-METAL COMPLEXES; ORGANOMETALLIC COMPOUNDS; LANTHANIDE; PRECURSORS;
CHEMISTRY; POLYMERIZATION; PRECATALYSTS; DERIVATIVES; REACTIVITY;
POTASSIUM
AB A beta-SiH functionalized benzyl anion [C(SiHMe2)(2)Ph](-) is obtained by deprotonation of HC(SiHMe2)(2)Ph with KCH2Ph or by reaction of KOtBu and (Me2HSi)(3)CPh; LnI(3)(THF)(n) and three equivalents of this carbanion combine to provide homoleptic tris(alkyl) lanthanide compounds Ln{C(SiHMe2)(2)Ph}(3) (Ln = La, Ce, Pr, Nd) containing secondary metal-ligand interactions.
C1 [Sadow, Aaron D.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA.
Iowa State Univ, US DOE Ames Lab, Ames, IA 50011 USA.
RP Sadow, AD (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA.
EM sadow@iastate.edu
FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences, and Biosciences; U.S. Department of
Energy [DE-AC02-07CH11358]
FX This research was supported by the U.S. Department of Energy, Office of
Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and
Biosciences. The Ames Laboratory is operated for the U.S. Department of
Energy by Iowa State University under Contract No. DE-AC02-07CH11358.
NR 32
TC 0
Z9 0
U1 3
U2 3
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
EI 1364-548X
J9 CHEM COMMUN
JI Chem. Commun.
PY 2017
VL 53
IS 4
BP 716
EP 719
DI 10.1039/c6cc09304c
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA EI3WX
UT WOS:000392424300008
PM 27990522
ER
PT J
AU Jacob, P
Benowitz, NL
Destaillats, H
Gundel, L
Hang, B
Martins-Green, M
Matt, GE
Quintana, PJE
Samet, JM
Schick, SF
Talbot, P
Aquilina, NJ
Hovell, MF
Mao, JH
Whitehead, TP
AF Jacob, Peyton, III
Benowitz, Neal L.
Destaillats, Hugo
Gundel, Lara
Hang, Bo
Martins-Green, Manuela
Matt, Georg E.
Quintana, Penelope J. E.
Samet, Jonathan M.
Schick, Suzaynn F.
Talbot, Prue
Aquilina, Noel J.
Hovell, Melbourne F.
Mao, Jian-Hua
Whitehead, Todd P.
TI Thirdhand Smoke: New Evidence, Challenges, and Future Directions
SO CHEMICAL RESEARCH IN TOXICOLOGY
LA English
DT Article
ID ENVIRONMENTAL TOBACCO-SMOKE; POLYCYCLIC AROMATIC-HYDROCARBONS; AIR
EXCHANGE-RATES; CIGARETTE-SMOKE; SECONDHAND SMOKE; INDOOR AIR;
STEM-CELLS; PARTICULATE MATTER; MASS-SPECTROMETRY; ORGANIC-COMPOUNDS
AB Thirdhand smoke (THS) is the contamination that persists after secondhand tobacco smoke has been emitted into air. It refers to the tobacco-related gases and particles that become embedded in materials, such as the carpet, walls, furniture, blankets, and toys. THS is not strictly smoke, but chemicals that adhere to surfaces from which they can be released back into the air, undergo chemical transformations and/or accumulate. Currently, the hazards of THS are not as well documented as the hazards of secondhand smoke (SHS). In this Perspective, we describe the distribution and chemical changes that occur as SHS is transformed into THS, studies of environmental contamination by THS; human exposure studies, toxicology studies using animal models and in vitro systems, possible approaches for avoiding exposure, remediation of THS contamination, and priorities for further research.
C1 [Jacob, Peyton, III] Univ Calif San Francisco, Dept Psychiat, Div Clin Pharmacol & Expt Therapeut, San Francisco, CA 94143 USA.
[Jacob, Peyton, III] Univ Calif San Francisco, Dept Med, Div Clin Pharmacol & Expt Therapeut, San Francisco, CA 94143 USA.
[Benowitz, Neal L.] Univ Calif San Francisco, Dept Med, Div Clin Pharmacol & Expt Therapeut, Med Serv, San Francisco, CA 94143 USA.
[Benowitz, Neal L.] Univ Calif San Francisco, Dept Bioengn & Therapeut Sci, Div Clin Pharmacol & Expt Therapeut, Med Serv, San Francisco, CA 94143 USA.
[Benowitz, Neal L.] Univ Calif San Francisco, Ctr Tobacco Control Res & Educ, San Francisco, CA 94143 USA.
[Destaillats, Hugo; Gundel, Lara] Lawrence Berkeley Natl Lab, Indoor Environm Grp, Berkeley, CA 94720 USA.
[Hang, Bo; Mao, Jian-Hua] Lawrence Berkeley Natl Lab, Biol Syst & Engn, Berkeley, CA 94720 USA.
[Martins-Green, Manuela; Talbot, Prue] Univ Calif Riverside, Dept Cell Biol & Neurosci, Riverside, CA 92521 USA.
[Matt, Georg E.] San Diego State Univ, Dept Psychol, San Diego, CA 92182 USA.
[Quintana, Penelope J. E.; Hovell, Melbourne F.] San Diego State Univ, Grad Sch Publ Hlth, San Diego, CA 92182 USA.
[Samet, Jonathan M.] Univ Southern Calif, Keck Sch Med, Dept Prevent Med, Los Angeles, CA 90089 USA.
[Schick, Suzaynn F.] Univ Calif San Francisco, Sch Med, Div Occupat & Environm Med, San Francisco, CA 94143 USA.
[Aquilina, Noel J.] Univ Malta, Dept Geosci, MSD-2080 Msida, Malta.
[Whitehead, Todd P.] Univ Calif Berkeley, Sch Publ Hlth, Ctr Integrat Res Childhood Leukemia & Environm, Berkeley, CA 94704 USA.
RP Jacob, P (reprint author), Univ Calif San Francisco, Div Clin Pharmacol & Expt Therapeut, Box 1220, San Francisco, CA 94143 USA.
EM peyton.jacob@ucsf.edu
FU California Tobacco-Related Disease Research Program (TRDRP) [20PT-0184,
23PT-0013]; National Institute on Drug Abuse [P30 DA012393]; National
Center for Research Resources [S10 RR026437]; U.S. Department of Energy
[DE-AC02-05CH11231]; TRDRP [19CA-0164, 24RT-0038, 20KT-0051, 19XT-0070,
18FT-0105, 25IP-0023, 22RT-0139, 17RT-0162H, 24RT-0037H, 23DT-0103,
22DT-0002, 22RT-0141H, 19XT-0151H, 19XT-0166, 25ST-0038, 24RT-0039];
U.S. Department of Housing and Urban Development [CAHHU0028-15]; Flight
Attendant Medical Institute (UCSF Bland Lane Center of Excellence on
Secondhand Smoke)
FX We thank the California Tobacco-Related Disease Research Program (TRDRP)
for support of most of the studies described in this Perspective: TRDRP
Grant 20PT-0184 - Thirdhand Tobacco Smoke Exposure and Health Risk
Assessment (Phase 1); TRDRP Grant 23PT-0013-Impacts of Thirdhand Smoke
on Public Health (Phase-2). Support from the National Institute on Drug
Abuse, P30 DA012393, and from the National Center for Research
Resources, S10 RR026437, for laboratory resources at the University of
California, San Francisco; support from the U.S. Department of Energy,
DE-AC02-05CH11231, and from TRDRP Grants 19CA-0164, 24RT-0038,
20KT-0051, 19XT-0070, 18FT-0105 for research at Lawrence Berkeley
National Laboratory; from TRDRP Grants 25IP-0023, 22RT-0139, 19CA-0164,
17RT-0162H and from the U.S. Department of Housing and Urban
Development, CAHHU0028-15, for research at San Diego State University;
support from TRDRP Grants 24RT-0037H, 23DT-0103, 22DT-0002, 22RT-0141H,
19XT-0151H, 19XT-0166 for research at University of California
Riverside; support from TRDRP Grants 25ST-0038, 24RT-0039, and from the
Flight Attendant Medical Institute (UCSF Bland Lane Center of Excellence
on Secondhand Smoke) for research at University of California San
Francisco is gratefully acknowledged.
NR 136
TC 0
Z9 0
U1 6
U2 6
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0893-228X
EI 1520-5010
J9 CHEM RES TOXICOL
JI Chem. Res. Toxicol.
PD JAN
PY 2017
VL 30
IS 1
BP 270
EP 294
DI 10.1021/acs.chemrestox.6b00343
PG 25
WC Chemistry, Medicinal; Chemistry, Multidisciplinary; Toxicology
SC Pharmacology & Pharmacy; Chemistry; Toxicology
GA EI1UF
UT WOS:000392262900022
PM 28001376
ER
PT J
AU Dvijotham, K
Chertkov, M
Van Hentenryck, P
Vuffray, M
Misra, S
AF Dvijotham, Krishnamurthy
Chertkov, Michael
Van Hentenryck, Pascal
Vuffray, Marc
Misra, Sidhant
TI Graphical models for optimal power flow
SO CONSTRAINTS
LA English
DT Article; Proceedings Paper
CT 22nd International Conference on the Principles and Practice of
Constraint Programming (CP)
CY SEP 05-09, 2016
CL Toulouse Business Sch, Toulouse, FRANCE
SP IJCAI, Artificial Intelligence Journal Div, French Natl Inst Agronom Res, Microsoft Res, French Natl Ctr Sci Res, IBM, Cadence, Siemens, CSIRO, Data 61, Toulouse Univ, Springer, Mol Bioinformat GdR, Toulouse Comp Sci Inst, French Natl Off Aeros Res & Studies, Inst Computat Sustainabil, European Assoc Artificial Intelligence, Swedish Inst Comp Sci, French Soc Operat Res & Assisted Decis Making, N Side, Cosling, Cosytec & LocalSolver
HO Toulouse Business Sch
DE Constraint programming; Graphical models; Power systems
ID OPTIMIZATION; RELAXATIONS; PROGRAMS; NETWORKS
AB Optimal power flow (OPF) is the central optimization problem in electric power grids. Although solved routinely in the course of power grid operations, it is known to be strongly NP-hard in general, and weakly NP-hard over tree networks. In this paper, we formulate the optimal power flow problem over tree networks as an inference problem over a tree-structured graphical model where the nodal variables are low-dimensional vectors. We adapt the standard dynamic programming algorithm for inference over a tree-structured graphical model to the OPF problem. Combining this with an interval discretization of the nodal variables, we develop an approximation algorithm for the OPF problem. Further, we use techniques from constraint programming (CP) to perform interval computations and adaptive bound propagation to obtain practically efficient algorithms. Compared to previous algorithms that solve OPF with optimality guarantees using convex relaxations, our approach is able to work for arbitrary tree-structured distribution networks and handle mixed-integer optimization problems. Further, it can be implemented in a distributed message-passing fashion that is scalable and is suitable for "smart grid" applications like control of distributed energy resources. Numerical evaluations on several benchmark networks show that practical OPF problems can be solved effectively using this approach.
C1 [Dvijotham, Krishnamurthy] CALTECH, Comp & Math Sci, Pasadena, CA 91125 USA.
[Chertkov, Michael; Vuffray, Marc; Misra, Sidhant] Los Alamos Natl Lab, T Div, Los Alamos, NM USA.
[Chertkov, Michael; Vuffray, Marc; Misra, Sidhant] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM USA.
[Van Hentenryck, Pascal] Univ Michigan, Ind & Operat Engn, Ann Arbor, MI 48109 USA.
RP Dvijotham, K (reprint author), CALTECH, Comp & Math Sci, Pasadena, CA 91125 USA.
EM dvij@cs.washington.edu
OI Vuffray, Marc/0000-0001-7999-9897
FU Skoltech [1075-MRA]; National Nuclear Security Administration of the
U.S. Department of Energy [DE-AC52-06NA25396]
FX This work was supported by Skoltech through collaboration agreement
1075-MRA. The work at LANL was carried out under the auspices of the
National Nuclear Security Administration of the U.S. Department of
Energy under Contract No. DE-AC52-06NA25396.
NR 29
TC 0
Z9 0
U1 1
U2 1
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 1383-7133
EI 1572-9354
J9 CONSTRAINTS
JI Constraints
PD JAN
PY 2017
VL 22
IS 1
BP 24
EP 49
DI 10.1007/s10601-016-9253-y
PG 26
WC Computer Science, Artificial Intelligence; Computer Science, Theory &
Methods
SC Computer Science
GA EI2DW
UT WOS:000392297800003
ER
PT J
AU Grippo, MA
Hlohowskyj, I
Fox, L
Herman, B
Pothoff, J
Yoe, C
Hayse, J
AF Grippo, Mark A.
Hlohowskyj, Ihor
Fox, Laura
Herman, Brook
Pothoff, Johanna
Yoe, Charles
Hayse, John
TI Aquatic Nuisance Species in the Great Lakes and Mississippi River
Basin-A Risk Assessment in Support of GLMRIS
SO ENVIRONMENTAL MANAGEMENT
LA English
DT Article
DE Ecological risk assessment; Aquatic nuisance species; GLMRIS; Asian
carp; Qualitative risk assessment
ID ALGA BANGIA-ATROPURPUREA; HEMORRHAGIC SEPTICEMIA VIRUS;
CERCOPAGIS-PENGOI; ASIAN CARP; ILLINOIS RIVER; GYMNOCEPHALUS-CERNUUS;
HEMIMYSIS-ANOMALA; UNITED-STATES; NORTH-AMERICA; INVASION
AB The U.S. Army Corps of Engineers is conducting the Great Lakes and Mississippi River Interbasin Study to identify the highest risk aquatic nuisance species currently established in either the Mississippi River Basin or the Great Lakes Basin and prevent their movement into a new basin. The Great Lakes and Mississippi River Interbasin Study focuses specifically on aquatic nuisance species movement through the Chicago Area Waterway System, a multi-use waterway connecting the two basins. In support of Great Lakes and Mississippi River Interbasin Study, we conducted a qualitative risk assessment for 33 aquatic nuisance species over a 50-year period of analysis based on the probability of aquatic nuisance species establishing in a new basin and the environmental, economic, and sociopolitical consequences of their establishment. Probability of establishment and consequences of establishment were assigned qualitative ratings of high, medium, or low after considering the species' current location, mobility, habitat suitability, and impacts in previously invaded systems. The establishment and consequence ratings were then combined into an overall risk rating. Seven species were characterized as posing a medium risk and two species as posing a high risk to the Mississippi River Basin. Three species were characterized as posing a medium risk to the Great Lakes Basin, but no high-risk species were identified for this basin. Risk increased over time for some aquatic nuisance species based on the time frame in which these species were considered likely to establish in the new basin. Both species traits and the need to balance multiple uses of the Chicago Area Waterway System must be considered when identifying control measures to prevent aquatic nuisance species movement between the two basins.
C1 [Grippo, Mark A.; Hlohowskyj, Ihor; Fox, Laura; Hayse, John] Argonne Natl Lab, Div Environm Sci, Bldg 240,9700 S Cass Ave, Argonne, IL 60439 USA.
[Herman, Brook; Pothoff, Johanna] US Army, Corps Engineers, 231 S LaSalle St,Suite 1500, Chicago, IL 60604 USA.
[Yoe, Charles] Notre Dame Maryland Univ, 4701 N Charles St, Baltimore, MD 21210 USA.
RP Grippo, MA (reprint author), Argonne Natl Lab, Div Environm Sci, Bldg 240,9700 S Cass Ave, Argonne, IL 60439 USA.
EM mgrippo@anl.gov
FU U.S. Department of Defense, Department of the Army, Corps of Engineers
Chicago District [W81G6621049856]; U.S. Department of Energy
[DE-AC02-06CH11357]
FX Work by Argonne National Laboratory was supported under Military
Interdepartmental Purchase Request W81G6621049856 from the U.S.
Department of Defense, Department of the Army, Corps of Engineers
Chicago District, and through U.S. Department of Energy contract
DE-AC02-06CH11357.
NR 98
TC 0
Z9 0
U1 18
U2 18
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0364-152X
EI 1432-1009
J9 ENVIRON MANAGE
JI Environ. Manage.
PD JAN
PY 2017
VL 59
IS 1
BP 154
EP 173
DI 10.1007/s00267-016-0770-7
PG 20
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA EH8ZQ
UT WOS:000392061800013
PM 27734087
ER
PT S
AU Grutzik, SJ
Reedy, ED
AF Grutzik, S. J.
Reedy, E. D.
BE Zhu, Y
Zehnder, AT
TI Development of Glass/Steel Bibeam Specimen for Study of Brittle Crack
Path Stability
SO EXPERIMENTAL AND APPLIED MECHANICS, VOL 4
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT SEM Annual Conference and Exposition on Experimental and Applied
Mechanics
CY JUN 06-09, 2016
CL Orlando, FL
SP Soc Expt Mech
DE Brittle fracture; Glass; Stability; Crack path
AB We have developed a novel specimen for studying crack paths in glass. Under certain conditions, the specimen reaches a state where the crack must select between multiple paths satisfying the K-II = 0 condition. This path selection is a simple but difficult benchmark case for both analytical and numerical methods of predicting crack propagation. We document the development of the specimen, using an uncracked and instrumented test case to study the effect of adhesive choice and validate the accuracy of both a simple beam theory model and a finite element model. In addition, we present preliminary fracture test results and provide a comparison to the path predicted by two numerical methods (mesh restructuring and XFEM).
C1 [Grutzik, S. J.] Sandia Natl Labs, Mat Mech & Tribol, Albuquerque, NM 87185 USA.
[Reedy, E. D.] Sandia Natl Labs, Component Sci & Mech, Albuquerque, NM 87185 USA.
RP Grutzik, SJ (reprint author), Sandia Natl Labs, Mat Mech & Tribol, Albuquerque, NM 87185 USA.
EM sjgrutz@sandia.gov
FU Sandia National Laboratories is a multi- program laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U.S. Department of Energy's National Nuclear
Security Administration [DE-AC0404AL85000]
FX The authors thank Garth Rohr and Corey Gibson for assistance with
experiments and John Laing for valuable strain gage discussions. Sandia
National Laboratories is a multi-program laboratory managed and operated
by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin
Corporation, for the U.S. Department of Energy's National Nuclear
Security Administration under contract DE-AC0404AL85000.
NR 19
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-42028-8; 978-3-319-42027-1
J9 C PROC SOC EXP MECH
PY 2017
BP 59
EP 66
DI 10.1007/978-3-319-42028-8_8
PG 8
WC Engineering, Mechanical; Mechanics
SC Engineering; Mechanics
GA BG8EN
UT WOS:000392264300008
ER
PT S
AU Daniel, IM
Fenner, JS
Werner, BT
Cho, JM
AF Daniel, I. M.
Fenner, J. S.
Werner, B. T.
Cho, J. -M.
BE Zhu, Y
Zehnder, AT
TI Characterization and Modeling of Polymeric Foam Under Multi-Axial Static
and Dynamic Loading
SO EXPERIMENTAL AND APPLIED MECHANICS, VOL 4
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT SEM Annual Conference and Exposition on Experimental and Applied
Mechanics
CY JUN 06-09, 2016
CL Orlando, FL
SP Soc Expt Mech
DE Polymeric foams; Dynamic testing; Strain rate dependence; Constitutive
modeling
ID BALSA WOOD; FAILURE; BEHAVIOR
AB A polymeric foam commonly used in composite sandwich structures was characterized under multi-axial loading at strain rates varying from quasi-static to dynamic. Tests were conducted under uniaxial compression, tension, pure shear and combinations of normal and shear stresses. Quasi-static and intermediate strain rate tests were conducted in a servohydraulic testing machine. High strain rate tests were conducted using a split Hopkinson pressure bar (Kolsky bar) system made of polycarbonate bars having an impedance compatible to that of the foam material. The typical compressive stressstrain behavior of the polymeric foam exhibits a linear elastic region up to a yield point, a nonlinear elastic-plastic region up to an initial peak or "critical stress" corresponding to collapse initiation of the cells, followed by strain softening up to a local minimum (plateau or saddle point stress) and finally, a strain hardening region up to densification of the foam. The characteristic stresses of the stress-strain behavior vary linearly with the logarithm of strain rate. A general threedimensional elastic-viscoplastic model, formulated in strain space, was proposed. The model expresses the multi-axial state of stress in terms of an effective stress, incorporates strain rate effects and includes the large deformation region. Stressstrain curves obtained under multi-axial loading at different strain rates were used to develop and validate the elasticviscoplastic constitutive model. Excellent agreement was shown between model predictions and experimental results.
C1 [Daniel, I. M.; Fenner, J. S.] Northwestern Univ, Robert McCormick Sch Engn & Appl Sci, 2137 Tech Dr, Evanston, IL 60208 USA.
[Werner, B. T.] Sandia Natl Labs, Livermore, CA 94550 USA.
[Cho, J. -M.] Hyundai Motor Co, Seoul, South Korea.
RP Daniel, IM (reprint author), Northwestern Univ, Robert McCormick Sch Engn & Appl Sci, 2137 Tech Dr, Evanston, IL 60208 USA.
EM imdaniel@northwestern.edu
FU Office of Naval Research (ONR)
FX The work described here was sponsored by the Office of Naval Research
(ONR). We are grateful to Dr. Y.D.S. Rajapakse of ONR for his
encouragement and cooperation.
NR 18
TC 0
Z9 0
U1 1
U2 1
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-42028-8; 978-3-319-42027-1
J9 C PROC SOC EXP MECH
PY 2017
BP 123
EP 134
DI 10.1007/978-3-319-42028-8_15
PG 12
WC Engineering, Mechanical; Mechanics
SC Engineering; Mechanics
GA BG8EN
UT WOS:000392264300015
ER
PT S
AU Lu, WY
Neidigk, M
Wyatt, N
AF Lu, Wei-Yang
Neidigk, Matthew
Wyatt, Nicholas
BE Zhu, Y
Zehnder, AT
TI Cyclic Loading Experiment for Characterizing Foam Viscoelastic Behavior
SO EXPERIMENTAL AND APPLIED MECHANICS, VOL 4
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT SEM Annual Conference and Exposition on Experimental and Applied
Mechanics
CY JUN 06-09, 2016
CL Orlando, FL
SP Soc Expt Mech
DE Flexible foam; Viscoelasticity; Nonlinear viscoelasticity; Pre-strain;
Soft materials
AB Several open-cell flexible foams, including aged polyurethane foams, were mechanically characterized over a temperature range of -40 to 20 degrees C. Quasi-static compression was performed to obtain the stress-strain behavior of the foams. The stress-strain relation is nonlinear, but typically there is a small range of linear behavior initially. Compressive cyclic loading at different amplitudes and frequencies of interest (20-60 Hz) were applied to measure foam's hysteresis properties, i. e. stiffness and energy dissipation. The cyclic characterization includes foams with different amount of pre-strains, some are beyond the initial linear range as occurred in many applications.
C1 [Lu, Wei-Yang] Sandia Natl Labs, Livermore, CA 94551 USA.
[Neidigk, Matthew; Wyatt, Nicholas] Sandia Natl Labs, Albuquerque, NM 87123 USA.
RP Lu, WY (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA.
EM wlu@sandia.gov
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX Sandia National Laboratories is a multi-program laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U.S. Department of Energy's National Nuclear
Security Administration under contract DE-AC04-94AL85000.
NR 3
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-42028-8; 978-3-319-42027-1
J9 C PROC SOC EXP MECH
PY 2017
BP 135
EP 144
DI 10.1007/978-3-319-42028-8_16
PG 10
WC Engineering, Mechanical; Mechanics
SC Engineering; Mechanics
GA BG8EN
UT WOS:000392264300016
ER
PT S
AU Werner, BT
Lu, WY
Connelly, K
AF Werner, Brian T.
Lu, Wei-Yang
Connelly, Kevin
BE Zhu, Y
Zehnder, AT
TI Compression Testing of Aged Low Density Flexible Polyurethane Foam
SO EXPERIMENTAL AND APPLIED MECHANICS, VOL 4
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT SEM Annual Conference and Exposition on Experimental and Applied
Mechanics
CY JUN 06-09, 2016
CL Orlando, FL
SP Soc Expt Mech
DE Polymeric foam; Aging; Temperature dependence; Strain rate dependence;
Flexible foam
AB Flexible open celled foams are commonly used for energy absorption in packaging. Over time polymers can suffer from aging by becoming stiffer and more brittle. This change in stiffness can affect the foam's performance in a low velocity impact event. In this study, the compressive properties of new open-cell flexible polyurethane foam were compared to those obtained from aged open-cell polyurethane foam that had been in service for approximately 25 years. The foams tested had densities of 10 and 15 pcf. These low density foams provided a significant challenge to machine cylindrical compression specimens that were 1 "in height and 1" in diameter. Details of the machining process are discussed. The compressive properties obtained for both aged and new foams included testing at various strain rates (0.05. 0.10, 5 s(-1)) and temperatures (-54, RT, 74 degrees C). Results show that aging of flexible polyurethane foam does not have much of an effect on its compressive properties.
C1 [Werner, Brian T.; Lu, Wei-Yang; Connelly, Kevin] Sandia Natl Labs, Livermore, CA 94551 USA.
RP Werner, BT (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA.
EM btwerne@sandia.gov
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX Sandia National Laboratories is a multi-program laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U.S. Department of Energy's National Nuclear
Security Administration under contract DE-AC04-94AL85000.
NR 1
TC 0
Z9 0
U1 2
U2 2
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-42028-8; 978-3-319-42027-1
J9 C PROC SOC EXP MECH
PY 2017
BP 145
EP 151
DI 10.1007/978-3-319-42028-8_17
PG 7
WC Engineering, Mechanical; Mechanics
SC Engineering; Mechanics
GA BG8EN
UT WOS:000392264300017
ER
PT J
AU Del Dotto, A
Kaptari, L
Pace, E
Salme, G
Scopetta, S
AF Del Dotto, Alessio
Kaptari, Leonid
Pace, Emanuele
Salme, Giovanni
Scopetta, Sergio
TI Polarized He-3 Target and Final State Interactions in SiDIS
SO FEW-BODY SYSTEMS
LA English
DT Article
AB Jefferson Lab is starting a wide experimental program aimed at studying the neutron's structure, with a great emphasis on the extraction of the parton transverse-momentum distributions (TMDs). To this end, Semi-inclusive deep-inelastic scattering (SiDIS) experiments on polarized He-3 will be carried out, providing, together with proton and deuteron data, a sound flavor decomposition of the TMDs. Given the expected high statistical accuracy, it is crucial to disentangle nuclear and partonic degrees of freedom to get an accurate theoretical description of both initial and final states. In this contribution, a preliminary study of the Final State Interaction (FSI) in the standard SiDIS, where a pion (or a Kaon) is detected in the final state is presented, in view of constructing a realistic description of the nuclear initial and final states.
C1 [Del Dotto, Alessio; Salme, Giovanni] Ist Nazl Fis Nucl, Sez Roma, Rome, Italy.
[Del Dotto, Alessio] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA.
[Kaptari, Leonid] JINR, Bogoliubov Lab Theor Phys, Dubna 141980, Russia.
[Pace, Emanuele] Univ Roma Tor Vergata, Dipartimento Fis, Rome, Italy.
[Pace, Emanuele] Ist Nazl Fis Nucl, Rome, Italy.
[Scopetta, Sergio] Univ Perugia, Dipartimento Fis & Geol, Perugia, Italy.
[Scopetta, Sergio] Ist Nazl Fis Nucl, Sez Perugia, Perugia, Italy.
RP Del Dotto, A (reprint author), Ist Nazl Fis Nucl, Sez Roma, Rome, Italy.
EM alessio.deldotto@iss.infn.it
NR 15
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER WIEN
PI WIEN
PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA
SN 0177-7963
EI 1432-5411
J9 FEW-BODY SYST
JI Few-Body Syst.
PD JAN
PY 2017
VL 58
IS 1
AR UNSP 23
DI 10.1007/s00601-016-1187-9
PG 5
WC Physics, Multidisciplinary
SC Physics
GA EI3TX
UT WOS:000392415600023
ER
PT J
AU Roberts, CD
AF Roberts, Craig D.
TI Perspective on the Origin of Hadron Masses
SO FEW-BODY SYSTEMS
LA English
DT Article
ID CHIRAL-SYMMETRY-BREAKING; GENERALIZED PARTON DISTRIBUTIONS;
SCHWINGER-DYSON EQUATIONS; QUANTUM CHROMODYNAMICS; EXCLUSIVE PROCESSES;
PERTURBATION-THEORY; FORM-FACTORS; SIGMA-TERMS; LIGHT-FRONT; QCD
AB The energy-momentum tensor in chiral QCD, T-mu nu, exhibits an anomaly, viz. Theta(0) := T-mu mu not equal 0. Measured in the proton, this anomaly yields m(p)(2), where m(p) is the proton's mass; but, at the same time, when computed in the pion, the answer is m(pi)(2) = 0. Any attempt to understand the origin and nature of mass, and identify observable expressions thereof, must explain and unify these two apparently contradictory results, which are fundamental to the nature of our Universe. Given the importance of Poincare-invariance in modern physics, the utility of a frame-dependent approach to this problem seems limited. That is especially true of any approach tied to a rest-frame decomposition of T-mu nu because a massless particle does not possess a rest-frame. On the other hand, the dynamical chiral symmetry breaking paradigm, connected with a Poincare-covariant treatment of the continuum bound-state problem, provides a straightforward, simultaneous explanation of both these identities, and also a diverse array of predictions, testable at existing and proposed facilities. From this perspective, = 0 owing to exact, symmetry-driven cancellations which occur between one-body dressing effects and two-body-irreducible binding interactions in any well-defined computation of the forward scattering amplitude that defines this expectation value in the pseudoscalar meson. The cancellation is incomplete in any other hadronic bound state, with a remainder whose scale is set by the size of one-body dressing effects.
C1 [Roberts, Craig D.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA.
RP Roberts, CD (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA.
EM cdroberts@anl.gov
FU U.S. Department of Energy, Office of Science, Office of Nuclear Physics
[DE-AC02-06CH11357]
FX I would like to thank Z.-E. Meziani and J.-W. Qiu for organising the
Temple Workshop: The Proton Mass: At the heart of most visible matter,
and they and the participants for hours of engaging discussions, which
served to refocus my attention on some of the issues discussed herein.
Constructive comments were subsequently received from I. C. Cloet, R. J.
Holt, V. Mokeev, J. Papavassiliou and J. Rodriguez-Quintero, and are
also gratefully acknowledged. Work supported by: the U.S. Department of
Energy, Office of Science, Office of Nuclear Physics, under Contract No.
DE-AC02-06CH11357.
NR 86
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER WIEN
PI WIEN
PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA
SN 0177-7963
EI 1432-5411
J9 FEW-BODY SYST
JI Few-Body Syst.
PD JAN
PY 2017
VL 58
IS 1
AR UNSP 5
DI 10.1007/s00601-016-1168-z
PG 12
WC Physics, Multidisciplinary
SC Physics
GA EI3TX
UT WOS:000392415600005
ER
PT J
AU Cromie, GA
Tan, ZH
Hays, M
Jeffery, EW
Dudley, AM
AF Cromie, Gareth A.
Tan, Zhihao
Hays, Michelle
Jeffery, Eric W.
Dudley, Aimee M.
TI Dissecting Gene Expression Changes Accompanying a Ploidy-Based
Phenotypic Switch
SO G3-GENES GENOMES GENETICS
LA English
DT Article
DE aneuploidy; gene expression; colony morphology; RNA-seq
ID SACCHAROMYCES-CEREVISIAE; PSEUDOHYPHAL DIFFERENTIATION; ANEUPLOIDY
UNDERLIES; INVASIVE GROWTH; READ ALIGNMENT; NONCODING RNA; YEAST-CELLS;
MAP KINASE; TRANSCRIPTION; REGULATORS
AB Aneuploidy, a state in which the chromosome number deviates from a multiple of the haploid count, significantly impacts human health. The phenotypic consequences of aneuploidy are believed to arise from gene expression changes associated with the altered copy number of genes on the aneuploid chromosomes. To dissect the mechanisms underlying altered gene expression in aneuploids, we used RNA-seq to measure transcript abundance in colonies of the haploid Saccharomyces cerevisiae strain F45 and two aneuploid derivatives harboring disomies of chromosomes XV and XVI. F45 colonies display complex "fluffy" morphologies, while the disomic colonies are smooth, resembling laboratory strains. Our two disomes displayed similar transcriptional profiles, a phenomenon not driven by their shared smooth colony morphology nor simply by their karyotype. Surprisingly, the environmental stress response (ESR) was induced in F45, relative to the two disomes. We also identified genes whose expression reflected a nonlinear interaction between the copy number of a transcriptional regulatory gene on chromosome XVI, DIG1, and the copy number of other chromosome XVI genes. DIG1 and the remaining chromosome XVI genes also demonstrated distinct contributions to the effect of the chromosome XVI disome on ESR gene expression. Expression changes in aneuploids appear to reflect a mixture of effects shared between different aneuploidies and effects unique to perturbing the copy number of particular chromosomes, including nonlinear copy number interactions between genes. The balance between these two phenomena is likely to be genotype-and environment-specific.
C1 [Cromie, Gareth A.; Tan, Zhihao; Jeffery, Eric W.; Dudley, Aimee M.] Pacific Northwest Res Inst, 720 Broadway, Seattle, WA 98122 USA.
[Tan, Zhihao] Agcy Sci Technol & Res, Inst Med Biol, Singapore 138648, Singapore.
[Hays, Michelle; Dudley, Aimee M.] Univ Washington, Mol & Cellular Biol Program, Seattle, WA 98195 USA.
RP Dudley, AM (reprint author), Pacific Northwest Res Inst, 720 Broadway, Seattle, WA 98122 USA.
EM aimee.dudley@gmail.com
OI Dudley, Aimee/0000-0003-3644-0625
FU National Institutes of Health [P50 GM076547]; Institute for Systems
Biology; University of Luxembourg; Agency for Science, Technology and
Research, Singapore
FX We thank Maitreya Dunham for helpful discussions. This work was funded
by a grant from the National Institutes of Health (P50 GM076547) and a
strategic partnership between the Institute for Systems Biology and the
University of Luxembourg. Z.T. was funded by the Agency for Science,
Technology and Research, Singapore.
NR 53
TC 0
Z9 0
U1 0
U2 0
PU GENETICS SOCIETY AMERICA
PI BETHESDA
PA 9650 ROCKVILLE AVE, BETHESDA, MD 20814 USA
SN 2160-1836
J9 G3-GENES GENOM GENET
JI G3-Genes Genomes Genet.
PD JAN
PY 2017
VL 7
IS 1
BP 233
EP 246
DI 10.1534/g3.116.036160
PG 14
WC Genetics & Heredity
SC Genetics & Heredity
GA EI0YE
UT WOS:000392200800020
PM 27836908
ER
PT J
AU Qi, JJ
Wang, JH
Liu, H
Dimitrovski, AD
AF Qi, Junjian
Wang, Jianhui
Liu, Hui
Dimitrovski, Aleksandar D.
TI Nonlinear Model Reduction in Power Systems by Balancing of Empirical
Controllability and Observability Covariances
SO IEEE TRANSACTIONS ON POWER SYSTEMS
LA English
DT Article
DE Balanced truncation; controllability; empirical controllability
covariance; empirical observability covariance; faster than real-time
simulation; Galerkin projection; model reduction; nonlinear system;
observability
ID DYNAMIC EQUIVALENTS; CASCADING FAILURE; SIMULATION; IDENTIFICATION;
AGGREGATION; SYNCHRONY; OUTAGES
AB In this paper, nonlinear model reduction for power systems is performed by the balancing of empirical controllability and observability covariances that are calculated around the operating region. Unlike existing model reduction methods, the external system does not need to be linearized but is directly dealt with as a nonlinear system. A transformation is found to balance the controllability and observability covariances in order to determine which states have the greatest contribution to the input-output behavior. The original system model is then reduced by Galerkin projection based on this transformation. The proposed method is tested and validated on a system comprised of a 16-machine 68-bus system and an IEEE 50-machine 145-bus system. The results show that by using the proposed model reduction the calculation efficiency can be greatly improved; at the same time, the obtained state trajectories are close to those for directly simulating the whole system or partitioning the system while not performing reduction. Compared with the balanced truncation method based on a linearized model, the proposed nonlinear model reduction method can guarantee higher accuracy and similar calculation efficiency. It is shown that the proposed method is not sensitive to the choice of the matrices for calculating the empirical covariances.
C1 [Qi, Junjian; Wang, Jianhui; Liu, Hui] Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Liu, Hui] Guangxi Univ, Dept Elect Engn, Nanning 530004, Peoples R China.
[Dimitrovski, Aleksandar D.] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA.
RP Qi, JJ (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM jqi@anl.gov; jian-hui.wang@anl.gov; hughlh@126.com;
dimitro-vskia@ornl.gov
OI Qi, Junjian/0000-0002-4043-9427
FU U.S. Department of Energy Office of Electricity Delivery and Energy
Reliability
FX This work was supported by the U.S. Department of Energy Office of
Electricity Delivery and Energy Reliability.
NR 51
TC 0
Z9 0
U1 1
U2 1
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0885-8950
EI 1558-0679
J9 IEEE T POWER SYST
JI IEEE Trans. Power Syst.
PD JAN
PY 2017
VL 32
IS 1
BP 114
EP 126
DI 10.1109/TPWRS.2016.2557760
PG 13
WC Engineering, Electrical & Electronic
SC Engineering
GA EH4KW
UT WOS:000391741100011
ER
PT J
AU Qi, JJ
Huang, WH
Sun, K
Kang, W
AF Qi, Junjian
Huang, Weihong
Sun, Kai
Kang, Wei
TI Optimal Placement of Dynamic Var Sources by Using Empirical
Controllability Covariance
SO IEEE TRANSACTIONS ON POWER SYSTEMS
LA English
DT Article
DE Controllability; determinant; dynamic var sources; empirical
controllability covariance; fault-induced delayed voltage recovery
(FIDVR); mesh adaptive direct search; NOMAD; nonlinear optimization;
nonlinear system; optimal placement; voltage collapse
ID VARIABLE NEIGHBORHOOD SEARCH; ADAPTIVE DIRECT SEARCH; MODEL-REDUCTION;
SYSTEMS; OPTIMIZATION
AB In this paper, the empirical controllability covariance (ECC), which is calculated around the considered operating condition of a power system, is applied to quantify the degree of controllability of system voltages under specific dynamic var source locations. An optimal dynamic var source placement method addressing fault-induced delayed voltage recovery (FIDVR) issues is further formulated as an optimization problem that maximizes the determinant of ECC. The optimization problem is effectively solved by the NOMAD solver, which implements the mesh adaptive direct search algorithm. The proposed method is tested on an NPCC 140-bus system and the results show that the proposed method with fault specified ECC can solve the FIDVR issue caused by the most severe contingency with fewer dynamic var sources than the voltage sensitivity index (VSI)-based method. The proposed method with fault unspecified ECC does not depend on the settings of the contingency and can address more FIDVR issues than the VSI method when placing the same number of SVCs under different fault durations. It is also shown that the proposed method can help mitigate voltage collapse.
C1 [Qi, Junjian] Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Huang, Weihong; Sun, Kai] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA.
[Kang, Wei] Naval Postgrad Sch, Dept Appl Math, Monterey, CA 93943 USA.
RP Qi, JJ (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM jqi@anl.gov; whuangl2@utk.edu; kaisun@utk.edu; wkang@nps.edu
OI Sun, Kai/0000-0002-0305-2725; Qi, Junjian/0000-0002-4043-9427
FU U.S. Department of Energy, Office of Electricity Delivery and Energy
Reliability [DE-AC02-06CH11357]; Oak Ridge National Laboratory under the
MOVARTI project; NSF CURENT Engineering Research Center [EEC-1041877];
Naval Research Laboratory Job order RAJH6
FX This work was supported in part by the U.S. Department of Energy, Office
of Electricity Delivery and Energy Reliability under Contract
DE-AC02-06CH11357, by the Oak Ridge National Laboratory under the
MOVARTI project, by the NSF CURENT Engineering Research Center
EEC-1041877, and by the Naval Research Laboratory Job order RAJH6.
NR 39
TC 0
Z9 0
U1 1
U2 1
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0885-8950
EI 1558-0679
J9 IEEE T POWER SYST
JI IEEE Trans. Power Syst.
PD JAN
PY 2017
VL 32
IS 1
BP 240
EP 249
DI 10.1109/TPWRS.2016.2552481
PG 10
WC Engineering, Electrical & Electronic
SC Engineering
GA EH4KW
UT WOS:000391741100023
ER
PT J
AU Molzahn, DK
Josz, C
Hiskens, IA
Panciatici, P
AF Molzahn, Daniel K.
Josz, Cedric
Hiskens, Ian A.
Panciatici, Patrick
TI A Laplacian-Based Approach for Finding Near Globally Optimal Solutions
to OPF Problems
SO IEEE TRANSACTIONS ON POWER SYSTEMS
LA English
DT Article
DE Global solution; optimal power flow; semidefinite optimization
ID OPTIMAL POWER-FLOW; RELAXATIONS; NETWORKS; OPTIMIZATION; SPARSITY;
MATRIX
AB A semidefinite programming (SDP) relaxation globally solves many optimal power flow (OPF) problems. For other OPF problems where the SDP relaxation only provides a lower bound on the objective value rather than the globally optimal decision variables, recent literature has proposed a penalization approach to find feasible points that are often nearly globally optimal. A disadvantage of this penalization approach is the need to specify penalty parameters. This paper presents an alternative approach that algorithmically determines a penalization appropriate for many OPF problems. The proposed approach constrains the generation cost to be close to the lower bound from the SDP relaxation. The objective function is specified using iteratively determined weights for a Laplacian matrix. This approach yields feasible points to the OPF problem that are guaranteed to have objective values near the global optimum due to the constraint on generation cost. The proposed approach is demonstrated on both small OPF problems and a variety of large test cases representing portions of European power systems.
C1 [Molzahn, Daniel K.] Argonne Natl Lab, Div Energy Syst, Lemont, IL 60439 USA.
[Josz, Cedric; Panciatici, Patrick] Reseau Transport Elect, R&D Dept, F-78000 Versailles, France.
[Hiskens, Ian A.] Univ Michigan, Dept Elect Engn & Comp Sci, Ann Arbor, MI 48109 USA.
RP Molzahn, DK (reprint author), Argonne Natl Lab, Div Energy Syst, Lemont, IL 60439 USA.
EM dmolzahn@anl.gov; cedric.josz@rte-france.com; hiskens@umich.edu;
patrick.panciatici@rte-france.com
FU Dow Postdoctoral Fellowship in Sustainability; ARPA-E Grant
[DE-AR0000232]; Los Alamos National Laboratory [270958]
FX This work was supported in part by the Dow Postdoctoral Fellowship in
Sustainability, in part by ARPA-E Grant DE-AR0000232, and in part by Los
Alamos National Laboratory subcontract 270958.
NR 37
TC 0
Z9 0
U1 0
U2 0
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0885-8950
EI 1558-0679
J9 IEEE T POWER SYST
JI IEEE Trans. Power Syst.
PD JAN
PY 2017
VL 32
IS 1
BP 305
EP 315
DI 10.1109/TPWRS.2016.2550520
PG 11
WC Engineering, Electrical & Electronic
SC Engineering
GA EH4KW
UT WOS:000391741100028
ER
PT J
AU Qiu, F
Li, ZG
Wang, JH
AF Qiu, Feng
Li, Zhigang
Wang, Jianhui
TI A Data-Driven Approach to Improve Wind Dispatchability
SO IEEE TRANSACTIONS ON POWER SYSTEMS
LA English
DT Article
DE Chance constraint; data driven; mixed-integer linear program; wind
dispatchability
ID POWER-SYSTEMS; ROBUST OPTIMIZATION; GENERATION; FORMULATIONS;
UNCERTAINTY; PROGRAMS
AB Wind power has been treated as a non-dispatchable resource until recent development of active wind dispatch strategies in several electricity markets. In markets such as ISO New England, a dispatch range for each wind farm is determined based on security analysis. Wind power will be fully absorbed unless it is out of the ranges. This approach, though aiming at improving wind utilization with system security considered, relies solely on wind power forecasting, which could be inaccurate by nature, and might result in unnecessary wind curtailment. In our work, we recognize the discrepancy between wind power forecast and the actual wind power dispatched and develop a data-driven approach to better capture the uncertainties in wind power dispatch. The computational experiments demonstrate that the dispatch ranges determined by our data-driven approach can dispatch more wind without endangering the system security and that solution is also efficient.
C1 [Qiu, Feng; Wang, Jianhui] Argonne Natl Lab, Div Energy Syst, Lemont, IL 60439 USA.
[Li, Zhigang] South China Univ Technol, Sch Elect Power, Guangzhou 510641, Guangdong, Peoples R China.
RP Li, ZG (reprint author), South China Univ Technol, Sch Elect Power, Guangzhou 510641, Guangdong, Peoples R China.
EM fqiu@anl.gov; lizg163@126.com; jianhui.wang@anl.gov
FU U.S. Department of Energy, Office of Electricity Delivery and Reliable
Energy [DE-AC02-06CHI1357]
FX The work of Argonne National Laboratory was supported by the U.S.
Department of Energy, Office of Electricity Delivery and Reliable
Energy, under contract DE-AC02-06CHI1357.
NR 28
TC 0
Z9 0
U1 4
U2 4
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0885-8950
EI 1558-0679
J9 IEEE T POWER SYST
JI IEEE Trans. Power Syst.
PD JAN
PY 2017
VL 32
IS 1
BP 421
EP 429
DI 10.1109/TPWRS.2016.2554629
PG 9
WC Engineering, Electrical & Electronic
SC Engineering
GA EH4KW
UT WOS:000391741100039
ER
PT J
AU Zlotnik, A
Roald, L
Backhaus, S
Chertkov, M
Andersson, G
AF Zlotnik, Anatoly
Roald, Line
Backhaus, Scott
Chertkov, Michael
Andersson, Goran
TI Coordinated Scheduling for Interdependent Electric Power and Natural Gas
Infrastructures
SO IEEE TRANSACTIONS ON POWER SYSTEMS
LA English
DT Article
DE Natural gas; power generation scheduling; power system security; optimal
control
ID OPTIMIZATION; SYSTEMS; NETWORK; FLOW; OPERATION; SECURITY; MODEL
AB The extensive installation of gas-fired power plants in many parts of the world has led electric systems to depend heavily on reliable gas supplies. The use of gas-fired generators for peak load and reserve provision causes high intraday variability in withdrawals from high-pressure gas transmission systems. Such variability can lead to gas price fluctuations and supply disruptions that affect electric generator dispatch, electricity prices, and threaten the security of power systems and gas pipelines. These infrastructures function on vastly different spatio-temporal scales, which prevents current practices for separate operations and market clearing from being coordinated. In this paper, we apply new techniques for control of dynamic gas flows on pipeline networks to examine day-ahead scheduling of electric generator dispatch and gas compressor operation for different levels of integration, spanning from separate forecasting, and simulation to combined optimal control. We formulate multiple coordination scenarios and develop tractable physically accurate computational implementations. These scenarios are compared using an integrated model of test networks for power and gas systems with 24 nodes and 24 pipes, respectively, which are coupled through gas-fired generators. The analysis quantifies the economic efficiency and security benefits of gas-electric coordination and dynamic gas system operation.
C1 [Zlotnik, Anatoly; Backhaus, Scott; Chertkov, Michael] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Roald, Line; Andersson, Goran] ETH, Power Syst Lab, Dept Elect Engn, CH-8092 Zurich, Switzerland.
RP Zlotnik, A (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM azlotnik@lanl.gov; roald@eeh.ee.ethz.ch; backhaus@lanl.gov;
chertkov@lanl.gov; andersson@eeh.ee.ethz.ch
FU NNSA of the U.S. Department of Energy at Los Alamos National Laboratory
[DE-AC52-06NA25396]; DTRA [10027-13399]; Advanced Grid Modeling Program
in the U.S. Department of Energy Office of Electricity; E.U. [282775]
FX This work was supported in part under the auspices of the NNSA of the
U.S. Department of Energy at Los Alamos National Laboratory under
contract #DE-AC52-06NA25396, in part by DTRA Basic Research Project
#10027-13399, the Advanced Grid Modeling Program in the U.S. Department
of Energy Office of Electricity, and project UMBRELLA under the 7th
Framework Program of the E.U. under Grant #282775. Paper no.
TPWRS-01463-2015.
NR 46
TC 1
Z9 1
U1 8
U2 8
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0885-8950
EI 1558-0679
J9 IEEE T POWER SYST
JI IEEE Trans. Power Syst.
PD JAN
PY 2017
VL 32
IS 1
BP 600
EP 610
DI 10.1109/TPWRS.2016.2545522
PG 11
WC Engineering, Electrical & Electronic
SC Engineering
GA EH4KW
UT WOS:000391741100056
ER
PT J
AU Dvorkin, Y
Fernandez-Blanco, R
Kirschen, DS
Pandzic, H
Watson, JP
Silva-Monroy, CA
AF Dvorkin, Yury
Fernandez-Blanco, Ricardo
Kirschen, Daniel S.
Pandzic, Hrvoje
Watson, Jean-Paul
Silva-Monroy, Cesar A.
TI Ensuring Profitability of Energy Storage
SO IEEE TRANSACTIONS ON POWER SYSTEMS
LA English
DT Article
DE Bilevel optimization; distributed energy storage; energy storage
investment; energy storage profitability; power system economics; power
system planning; storage siting; storage sizing; wind power generation
ID POWER; GENERATION
AB Energy storage (ES) is a pivotal technology for dealing with the challenges caused by the integration of renewable energy sources. It is expected that a decrease in the capital cost of storage will eventually spur the deployment of large amounts of ES. These devices will provide transmission services, such as spatiotemporal energy arbitrage, i.e., storing surplus energy from intermittent renewable sources for later use by loads while reducing the congestion in the transmission network. This paper proposes a bilevel program that determines the optimal location and size of storage devices to perform this spatiotemporal energy arbitrage. This method aims to simultaneously reduce the system-wide operating cost and the cost of investments in ES while ensuring that merchant storage devices collect sufficient profits to fully recover their investment cost. The usefulness of the proposed method is illustrated using a representative case study of the ISO New England system with a prospective wind generation portfolio.
C1 [Dvorkin, Yury; Fernandez-Blanco, Ricardo; Kirschen, Daniel S.] Univ Washington, Dept Elect Engn, Seattle, WA 98105 USA.
[Pandzic, Hrvoje] Univ Zagreb, Fac Elect Engn & Comp, HR-10000 Zagreb, Croatia.
[Watson, Jean-Paul; Silva-Monroy, Cesar A.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
RP Dvorkin, Y (reprint author), Univ Washington, Dept Elect Engn, Seattle, WA 98105 USA.
EM dvorkin@uw.edu; rfbc85@uw.edu; kirschen@uw.edu; hrvoje.pandzic@ieee.org;
jwatson@sandia.gov; casilv@sandia.gov
FU US DOE Energy Storage Program; U.S. Department of Energy's National
Nuclear Security Administration [DE-AC04-94AL85000]
FX The authors thank Dr. Gyuk and his colleagues at the US DOE Energy
Storage Program for funding this research. Sandia National Laboratories
is a multi-program laboratory managed and operated by Sandia
Corporation, a wholly owned subsidiary of Lockheed Martin Corporation,
for the U.S. Department of Energy's National Nuclear Security
Administration under Contract DE-AC04-94AL85000.
NR 38
TC 0
Z9 0
U1 6
U2 6
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0885-8950
EI 1558-0679
J9 IEEE T POWER SYST
JI IEEE Trans. Power Syst.
PD JAN
PY 2017
VL 32
IS 1
BP 611
EP 623
DI 10.1109/TPWRS.2016.2563259
PG 13
WC Engineering, Electrical & Electronic
SC Engineering
GA EH4KW
UT WOS:000391741100057
ER
PT J
AU Wang, C
Liu, F
Wang, JH
Qiu, F
Wei, W
Mei, SW
Lei, SB
AF Wang, Cheng
Liu, Feng
Wang, Jianhui
Qiu, Feng
Wei, Wei
Mei, Shengwei
Lei, Shunbo
TI Robust Risk-Constrained Unit Commitment With Large-Scale Wind
Generation: An Adjustable Uncertainty Set Approach
SO IEEE TRANSACTIONS ON POWER SYSTEMS
LA English
DT Article
DE Generation dispatch; risk assessment; unit commitment; wind generation
uncertainty
ID POWER; OPTIMIZATION; INTEGRATION; DISPATCH; MODEL
AB This paper addresses two vital issues which are barely discussed in the literature on robust unit commitment (RUC): 1) how much the potential operational loss could be if the realization of uncertainty is beyond the prescribed uncertainty set; 2) how large the prescribed uncertainty set should be when it is used for RUC decision making. In this regard, a robust risk-constrained unit commitment (RRUC) formulation is proposed to cope with large-scale volatile and uncertain wind generation. Differing from existing RUC formulations, the wind generation uncertainty set in RRUC is adjustable via choosing diverse levels of operational risk. By optimizing the uncertainty set, RRUC can allocate operational flexibility of power systems over spatial and temporal domains optimally, reducing operational cost in a risk-constrained manner. Moreover, since impact of wind generation realization out of the prescribed uncertainty set on operational risk is taken into account, RRUC outperforms RUC in the case of rare events. The traditional column and constraint generation (C&CG) and two algorithms based on C&CG are adopted to solve the RRUC. As the proposed algorithms are quite general, they can also apply to other RUC models to improve their computational efficiency. Simulations on a modified IEEE 118-bus system demonstrate the effectiveness and efficiency of the proposed methodology.
C1 [Wang, Cheng; Liu, Feng; Wei, Wei; Mei, Shengwei] Tsinghua Univ, Dept Elect Engn & Appl Elect Technol, State Key Lab Power Syst, Beijing 100084, Peoples R China.
[Wang, Jianhui; Qiu, Feng] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Lei, Shunbo] Univ Hong Kong, Dept Elect & Elect Engn, Pokfulam, Hong Kong, Peoples R China.
RP Liu, F (reprint author), Tsinghua Univ, Dept Elect Engn & Appl Elect Technol, State Key Lab Power Syst, Beijing 100084, Peoples R China.
EM c-wl2@mails.tsinghua.edu.cn; lfeng@tsinghua.edu.cn;
jianhui.wang@anl.gov; leishunbo@eee.hku.hk
FU China State Grid Corp Science and Technology Project
[SGSXDKY-DWKJ2015-001]; Foundation for Innovative Research Groups of the
National Natural Science Foundation of China [51321005]; Special Fund of
National Basic Research Program of China [2012CB215103]; China
Scholarship Council; U.S. Department of Energy's Office of Electricity
Delivery and Energy Reliability
FX This work was supported in part by the China State Grid Corp Science and
Technology Project under Grant SGSXDKY-DWKJ2015-001, in part by the
Foundation for Innovative Research Groups of the National Natural
Science Foundation of China under Grant 51321005, in part by the Special
Fund of National Basic Research Program of China under Grant
2012CB215103, and in part by the fund of China Scholarship Council. The
work of J. Wang and F. Qiu was supported by the U.S. Department of
Energy's Office of Electricity Delivery and Energy Reliability. Paper
no. TPWRS-01716-2015. (Corresponding author. Feng Liu.)
NR 31
TC 0
Z9 0
U1 4
U2 4
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0885-8950
EI 1558-0679
J9 IEEE T POWER SYST
JI IEEE Trans. Power Syst.
PD JAN
PY 2017
VL 32
IS 1
BP 723
EP 733
DI 10.1109/TPWRS.2016.2564422
PG 11
WC Engineering, Electrical & Electronic
SC Engineering
GA EH4KW
UT WOS:000391741100067
ER
PT J
AU Hao, H
Corbin, CD
Kalsi, K
Pratt, RG
AF Hao, He
Corbin, Charles D.
Kalsi, Karanjit
Pratt, Robert G.
TI Transactive Control of Commercial Buildings for Demand Response
SO IEEE TRANSACTIONS ON POWER SYSTEMS
LA English
DT Article
DE Commercial buildings; demand response; HVAC systems; market mechanism;
transactive control
ID ELECTRICITY MARKETS; ANCILLARY SERVICE; COOLING COILS; HVAC SYSTEMS;
ENERGY; LOADS; OPTIMIZATION; EQUILIBRIUM; MANAGEMENT
AB Transactive control is a type of distributed control strategy that uses market mechanisms to engage self-interested responsive loads to achieve power balance in the electrical power grid. In this paper, we propose a transactive control approach of commercial building heating, ventilation, and air-conditioning (HVAC) systems for demand response. We first describe the system models, and identify their model parameters using data collected from systems engineering building (SEB) located on our Pacific Northwest National Laboratory campus. We next present a transactive control market structure for commercial building HVAC systems, and describe its agent bidding and market clearing strategies. Several case studies are performed in a simulation environment using building controls virtual test bed (BCVTB) and calibrated SEB EnergyPlus model. We show that the proposed transactive control approach is very effective at peak shaving, load shifting, and strategic conservation for commercial building HVAC systems.
C1 [Hao, He; Corbin, Charles D.; Kalsi, Karanjit; Pratt, Robert G.] Pacific Northwest Natl Lab, Elect Infrastruct & Bldg Div, Richland, WA 99354 USA.
RP Hao, H (reprint author), Pacific Northwest Natl Lab, Elect Infrastruct & Bldg Div, Richland, WA 99354 USA.
EM He.Hao@pnnl.gov; Charles.Corbin@pnnl.gov; Karanjit.Kalsi@pnnl.gov;
Robert.Pratt@pnnl.gov
NR 49
TC 0
Z9 0
U1 3
U2 3
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0885-8950
EI 1558-0679
J9 IEEE T POWER SYST
JI IEEE Trans. Power Syst.
PD JAN
PY 2017
VL 32
IS 1
BP 774
EP 783
DI 10.1109/TPWRS.2016.2559485
PG 10
WC Engineering, Electrical & Electronic
SC Engineering
GA EH4KW
UT WOS:000391741100072
ER
PT J
AU Beeson, M
Wos, L
AF Beeson, Michael
Wos, Larry
TI Finding Proofs in Tarskian Geometry
SO JOURNAL OF AUTOMATED REASONING
LA English
DT Article
DE Automated deduction; Tarski; Geometry; Theorem proving
ID SYSTEM
AB We report on a project to use a theorem prover to find proofs of the theorems in Tarskian geometry. These theorems start with fundamental properties of betweenness, proceed through the derivations of several famous theorems due to Gupta and end with the derivation from Tarski's axioms of Hilbert's 1899 axioms for geometry. They include the four challenge problems left unsolved by Quaife, who two decades ago found some OTTER proofs in Tarskian geometry (solving challenges issued in Wos's 1998 book). There are 212 theorems in this collection. We were able to find OTTER proofs of all these theorems. We developed a methodology for the automated preparation and checking of the input files for those theorems, to ensure that no human error has corrupted the formal development of an entire theory as embodied in two hundred input files and proofs. We distinguish between proofs that were found completely mechanically (without reference to the steps of a book proof) and proofs that were constructed by some technique that involved a human knowing the steps of a book proof. Proofs of length 40-100, roughly speaking, are difficult exercises for a human, and proofs of 100-250 steps belong in a Ph.D. thesis or publication. 29 of the proofs in our collection are longer than 40 steps, and ten are longer than 90 steps. We were able to derive completely mechanically all but 26 of the 183 theorems that have "short" proofs (40 or fewer deduction steps). We found proofs of the rest, as well as the 29 "hard" theorems, using a method that requires consulting the book proof at the outset. Our "subformula strategy" enabled us to prove four of the 29 hard theorems completely mechanically. These are Ph.D. level proofs, of length up to 108.
C1 [Beeson, Michael] San Jose State Univ, San Jose, CA 95192 USA.
[Wos, Larry] Argonne Natl Lab, Lemont, IL USA.
RP Beeson, M (reprint author), San Jose State Univ, San Jose, CA 95192 USA.
EM profbeeson@gmail.com; wos@mcs.anl.gov
OI Beeson, Michael/0000-0001-9259-1220
FU U.S. Department of Energy, Office of Science [DE-ACO2-06CH11357]
FX This material was based in part on work supported by the U.S. Department
of Energy, Office of Science, under contract DE-ACO2-06CH11357.
NR 26
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0168-7433
EI 1573-0670
J9 J AUTOM REASONING
JI J. Autom. Reasoning
PD JAN
PY 2017
VL 58
IS 1
SI SI
BP 181
EP 207
DI 10.1007/s10817-016-9392-2
PG 27
WC Computer Science, Artificial Intelligence
SC Computer Science
GA EI3JT
UT WOS:000392387400008
ER
PT J
AU Park, Y
Pachepsky, Y
Hong, EM
Shelton, D
Coppock, C
AF Park, Yongeun
Pachepsky, Yakov
Hong, Eun-Mi
Shelton, Daniel
Coppock, Cary
TI Escherichia coli Release from Streambed to Water Column during Baseflow
Periods: A Modeling Study
SO JOURNAL OF ENVIRONMENTAL QUALITY
LA English
DT Article
ID FECAL-COLIFORM; MICROBIAL TRANSPORT; MODIFIED SWAT; FLOOD EVENTS;
LAND-USE; SEDIMENT; BACTERIA; CONTAMINATION; FATE; MICROORGANISMS
AB Streambed sediments can harbor large Escherichia coli populations that are released into the water column during high-flow events. Few studies have been conducted on the rates of E. coli transfer from streambed sediment to water column in low-flow conditions in natural streams. The aim of this work was to apply the watershed-scale model SWAT (Soil and Water Assessment Tool) to a natural stream to evaluate the need to account for the E. coli release from streambed sediments during baseflow periods and to compare the results of simulating such a release by assuming predominantly passive transport, driven by groundwater influx, against simulations assuming predominantly active transport of random or chemotaxis-driven bacteria movement. Escherichia coli concentrations in water during baseflow periods were substantially underestimated when E. coli release from the streambed was attributed only to streambed sediment resuspension. When considered in addition to the release due to sediment resuspension at high flows, the active and passive release assumptions provided 42 and 4% improvement, respectively, in the RMSE of logarithms of E. coli concentrations. Estimated E. coli fluxes to water column during the baseflow periods from June to November ranged from 3.3 x 105 colony-forming units (CFU) m(-2) d(-1) in the game land area to 1.4 x 10(6) CFU m(-2) d(-1) in the mixed pasture and cropland. Results demonstrate that release of E. coli from streambed sediments during baseflow periods is substantial and that water column E. coli concentrations are dependent on not only land management practices but also on in-stream processes.
C1 [Park, Yongeun] Ulsan Natl Inst Sci & Technol, Sch Urban & Environm Engn, Ulsan 689798, South Korea.
[Pachepsky, Yakov; Shelton, Daniel; Coppock, Cary] USDA ARS, Environm Microbial & Food Safety Lab, Beltsville, MD 20705 USA.
[Hong, Eun-Mi] ORISE, Oak Ridge, TN 37830 USA.
RP Pachepsky, Y (reprint author), USDA ARS, Environm Microbial & Food Safety Lab, Beltsville, MD 20705 USA.
EM yakov.pachepsky@ars.usda.gov
FU Basic Core Technology Development Program for the Oceans; Basic Core
Technology Development Program for the Oceans and the Polar Regions of
the National Research Foundation (NRF) - Korean Ministry of Science, ICT
& Future Planning [NRF-2016M1A5A1027457]
FX This research was partially supported by the Basic Core Technology
Development Program for the Oceans and the Polar Regions of the National
Research Foundation (NRF) funded by the Korean Ministry of Science, ICT
& Future Planning (NRF-2016M1A5A1027457).
NR 46
TC 0
Z9 0
U1 5
U2 5
PU AMER SOC AGRONOMY
PI MADISON
PA 677 S SEGOE RD, MADISON, WI 53711 USA
SN 0047-2425
EI 1537-2537
J9 J ENVIRON QUAL
JI J. Environ. Qual.
PD JAN-FEB
PY 2017
VL 46
IS 1
BP 219
EP 226
DI 10.2134/jeq2016.03.0114
PG 8
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA EI1UL
UT WOS:000392271400026
PM 28177403
ER
PT J
AU Janak, JC
Cooper, DB
Bowles, AO
Alamgir, AH
Cooper, SP
Gabriel, KP
Perez, A
Orman, JA
AF Janak, Jud C.
Cooper, Douglas B.
Bowles, Amy O.
Alamgir, Abul H.
Cooper, Sharon P.
Gabriel, Kelley P.
Perez, Adriana
Orman, Jean A.
TI Completion of Multidisciplinary Treatment for Persistent Postconcussive
Symptoms Is Associated With Reduced Symptom Burden
SO JOURNAL OF HEAD TRAUMA REHABILITATION
LA English
DT Article
DE blast injuries; mild traumatic brain injury; military personnel;
posttraumatic stress disorder; rehabilitation; treatment
ID TRAUMATIC BRAIN-INJURY; POSTTRAUMATIC-STRESS-DISORDER; MILITARY SERVICE
MEMBERS; GOOD-OLD-DAYS; OPERATION IRAQI FREEDOM; MILD TBI; COMBAT
VETERANS; PSYCHOMETRIC PROPERTIES; COMPENSATION SEEKING; NATIONAL-GUARD
AB Objective: To investigate the pre- to posttreatment changes in both posttraumatic stress disorder (PTSD) and persistent postconcussive symptoms (PPCSs). Setting and Participants: We studied 257 active-duty patients with a history of mild traumatic brain injury (mTBI) who completed multidisciplinary outpatient treatment at Brooke Army Medical Center TBI Clinic from 2008 to 2013. This treatment program included cognitive rehabilitation; vestibular interventions; headache management; and integrated behavioral healthcare to address co-occurring psychiatric conditions such as PTSD, depression, and sleep disturbance. Design: A 1-group; preexperimental, pre- to posttreatment study. Main Measures: The Neurobehavioral Symptom Inventory (NSI) was used to assess PPCSs, and the PTSD Checklist-Military Version (PCL-M) was used to asses PTSD symptoms. Results: Global PPCS resolution (mean NSI: 35.0 pre vs 23.8 post; P < .0001; d = 0.72) and PTSD symptom resolution (mean PCL-M: 43.2 pre vs 37.7 post; P < .0001; d = 0.34) were statistically significant. Compared with those with only mTBI, patients with mTBI and PTSD reported greater global PPCS impairment both pretreatment (mean NSI: 48.7 vs 27.9; P < .0001) and posttreatment (mean NSI: 36.2 vs 17.4; P < .0001). After adjusting for pretreatment NSI scores, patients with comorbid PTSD reported poorer PPCS resolution than those with mTBI alone (mean NSI: 27.9 pre vs 21.7 post; P = .0009). Conclusion: We found a reduction in both self-reported PPCSs and PTSD symptoms; however, future studies are needed to identify specific components of care associated with symptom reduction.
C1 [Janak, Jud C.] US Army, Oak Ridge Inst Sci & Educ, San Antonio, TX USA.
[Cooper, Douglas B.] Def & Vet Brain Injury Ctr, San Antonio, TX USA.
[Bowles, Amy O.] Brooke Army Med Ctr, San Antonio, TX USA.
[Orman, Jean A.] US Army, Inst Surg Res, Stat & Epidemiol, San Antonio, TX USA.
[Cooper, Douglas B.; Alamgir, Abul H.] Univ Texas San Antonio, Sch Publ Hlth San Antonio, San Antonio, TX USA.
[Gabriel, Kelley P.; Perez, Adriana] Univ Texas Austin, Sch Publ Hlth Austin, Austin, TX 78712 USA.
RP Janak, JC (reprint author), US Army, Inst Surg Res, Oak Ridge Inst Sci & Educ, 3698 Chambers Pass,Bldg 3611, San Antonio, TX 78234 USA.
EM judson.c.janak.vol@mail.mil
FU National Institute of Occupational and Environmental Health/Centers for
Disease Control and Prevention [5T42OH008421]
FX Support and funding for this study was provided by grant No.
5T42OH008421 from the National Institute of Occupational and
Environmental Health/Centers for Disease Control and Prevention to the
Southwest Center for Occupational and Environmental Health. In addition,
this project was supported in part by an appointment to the
Internship/Research Participation Program at the United States Army
Institute of Surgical Research, administered by the Oak Ridge Institute
for Science and Education through an interagency agreement between the
US Department of Energy and the Environmental Protection Agency. The
authors thank the staff at Brooke Army Medical Center Traumatic Brain
Injury Clinic for their hard work and dedication. The authors also thank
both the service members and their families for their service to the
United States.
NR 74
TC 0
Z9 0
U1 10
U2 10
PU LIPPINCOTT WILLIAMS & WILKINS
PI PHILADELPHIA
PA TWO COMMERCE SQ, 2001 MARKET ST, PHILADELPHIA, PA 19103 USA
SN 0885-9701
EI 1550-509X
J9 J HEAD TRAUMA REHAB
JI J. Head Trauma Rehabil.
PD JAN-FEB
PY 2017
VL 32
IS 1
BP 1
EP 15
DI 10.1097/HTR.0000000000000202
PG 15
WC Clinical Neurology; Rehabilitation
SC Neurosciences & Neurology; Rehabilitation
GA EI2GH
UT WOS:000392304400001
PM 26709579
ER
PT J
AU Freppon, DJ
Men, L
Burkhow, SJ
Petrich, JW
Vela, J
Smith, EA
AF Freppon, Daniel J.
Men, Long
Burkhow, Sadie J.
Petrich, Jacob W.
Vela, Javier
Smith, Emily A.
TI Photophysical properties of wavelength-tunable methylammonium lead
halide perovskite nanocrystals
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID SEMICONDUCTOR QUANTUM DOTS; EFFICIENCY SOLAR-CELLS; BROMIDE PEROVSKITE;
PHOTOLUMINESCENCE BLINKING; FLUORESCENCE INTERMITTENCY; PHOTOVOLTAIC
PERFORMANCE; OPTICAL-PROPERTIES; POLYMER MATRIX; TRAP STATES; LOW-COST
AB We present the time-correlated luminescence of isolated nanocrystals of five methylammonium lead mixedhalide perovskite compositions (CH3NH3PbBr3-xIx) that were synthesized with varying iodide and bromide anion loading. All analyzed nanocrystals had a spherical morphology with diameters in the range of 2 to 32 nm. The luminescence maxima of CH3NH3PbBr3-xIx nanocrystals were tuned to wavelengths ranging between 498 and 740 nm by varying the halide loading. Both CH3NH3PbI3 and CH3NH3PbBr3 nanocrystals exhibited no luminescence intermittency for more than 90% of the 250 s analysis time, as defined by a luminescence intensity three standard deviations above the background. The mixed halide CH3NH3PbBr0.75I0.25, CH3NH3PbBr0.50I0.50, and CH3NH3PbBr0.25I0.75 nanocrystals exhibited luminescence intermittency in 18%, 4% and 26% of the nanocrystals, respectively. Irrespective of luminescence intermittency, luminescence intensities were classified for each nanocrystal as: (a) constant, (b) multimodal, (c) photobrightening, and (d) photobleaching. Based on their photophysics, the CH3NH3PbBr3-xIx nanocrystals can be expected to be useful in a wide-range of applications where low and non-intermittent luminescence is desirable, for example as imaging probes and in films for energy conversion devices.
C1 [Vela, Javier; Smith, Emily A.] Iowa State Univ, US Dept Energy, Ames Lab, Ames, IA 50011 USA.
Iowa State Univ, Dept Chem, Ames, IA 50011 USA.
RP Vela, J; Smith, EA (reprint author), Iowa State Univ, US Dept Energy, Ames Lab, Ames, IA 50011 USA.
EM vela@iastate.edu; esmith1@iastate.edu
FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences, and Biosciences through the Ames
Laboratory; U.S. Department of Energy by Iowa State University
[DE-AC02-07CH11358]
FX This research is supported by the U.S. Department of Energy, Office of
Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and
Biosciences through the Ames Laboratory. The Ames Laboratory is operated
for the U.S. Department of Energy by Iowa State University under
Contract No. DE-AC02-07CH11358.
NR 69
TC 0
Z9 0
U1 20
U2 20
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7526
EI 2050-7534
J9 J MATER CHEM C
JI J. Mater. Chem. C
PY 2017
VL 5
IS 1
BP 118
EP 126
DI 10.1039/c6tc03886g
PG 9
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA EI3WN
UT WOS:000392423200013
ER
PT J
AU Chang, J
Karra, S
Nakshatrala, KB
AF Chang, J.
Karra, S.
Nakshatrala, K. B.
TI Large-Scale Optimization-Based Non-negative Computational Framework for
Diffusion Equations: Parallel Implementation and Performance Studies
SO JOURNAL OF SCIENTIFIC COMPUTING
LA English
DT Article
DE High performance computing; Anisotropic diffusion; Maximum principles;
Non-negative constraint; Large-scale optimization
ID MAXIMUM-PRINCIPLES; CONSTRAINT; MODEL; ROOFLINE
AB It is well-known that the standard Galerkin formulation, which is often the formulation of choice under the finite element method for solving self-adjoint diffusion equations, does not meet maximum principles and the non-negative constraint for anisotropic diffusion equations. Recently, optimization-based methodologies that satisfy maximum principles and the non-negative constraint for steady-state and transient diffusion-type equations have been proposed. To date, these methodologies have been tested only on small-scale academic problems. The purpose of this paper is to systematically study the performance of the non-negative methodology in the context of high performance computing (HPC). PETSc and TAO libraries are, respectively, used for the parallel environment and optimization solvers. For large-scale problems, it is important for computational scientists to understand the computational performance of current algorithms available in these scientific libraries. The numerical experiments are conducted on the state-of-the-art HPC systems, and a single-core performance model is used to better characterize the efficiency of the solvers. Our studies indicate that the proposed non-negative computational framework for diffusion-type equations exhibits excellent strong scaling for real-world large-scale problems.
This figure shows the fate of chromium after 180 days using the single-field Galerkin formulation. The white regions indicate the violation of the non-negative constraint.
[GRAPHICS]
.
C1 [Chang, J.; Nakshatrala, K. B.] Univ Houston, Dept Civil & Environm Engn, Houston, TX 77204 USA.
[Karra, S.] Los Alamos Natl Lab, Los Alamos, NM USA.
RP Nakshatrala, KB (reprint author), Univ Houston, Dept Civil & Environm Engn, Houston, TX 77204 USA.
EM knakshatrala@uh.edu
OI Karra, Satish/0000-0001-7847-6293
FU Houston Endowment Fund; Department of Energy through Subsurface
Biogeochemical Research Program; LANL LDRD program; LANL Environmental
Programs Directorate
FX The authors thank Matthew G. Knepley (Rice University) for his
invaluable advice. The authors also thank the Los Alamos National
Laboratory (LANL) Institutional Computing program. JC and KBN
acknowledge the financial support from the Houston Endowment Fund and
from the Department of Energy through Subsurface Biogeochemical Research
Program. SK thanks the LANL LDRD program and the LANL Environmental
Programs Directorate for their support. The opinions expressed in this
paper are those of the authors and do not necessarily reflect that of
the sponsors.
NR 45
TC 0
Z9 0
U1 1
U2 1
PU SPRINGER/PLENUM PUBLISHERS
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0885-7474
EI 1573-7691
J9 J SCI COMPUT
JI J. Sci. Comput.
PD JAN
PY 2017
VL 70
IS 1
BP 243
EP 271
DI 10.1007/s10915-016-0250-5
PG 29
WC Mathematics, Applied
SC Mathematics
GA EH7CM
UT WOS:000391930500011
ER
PT J
AU Johnson, SP
Korhonen, FJ
Kirkland, CL
Cliff, JB
Belousova, EA
Sheppard, S
AF Johnson, Simon P.
Korhonen, Fawna J.
Kirkland, Christopher L.
Cliff, John B.
Belousova, Elena A.
Sheppard, Stephen
TI An isotopic perspective on growth and differentiation of Proterozoic
orogenic crust: From subduction magmatism to cratonization
SO LITHOS
LA English
DT Article
DE Capricorn Orogen; Cratonization; Crustal differentiation; Proterozoic
orogenic crust; Zircon-Hf isotopes; Zircon-O isotopes
ID CAPRICORN OROGEN; WESTERN-AUSTRALIA; CONTINENTAL LITHOSPHERE; GASCOYNE
COMPLEX; O ISOTOPES; LU-HF; ZIRCON; EVOLUTION; REWORKING; DIFFUSION
AB The in situ chemical differentiation of continental crust ultimately leads to the long-term stability of the continents. This process, more commonly known as 'cratonization', is driven by deep crustal melting with the transfer of those melts to shallower regions resulting in a strongly chemically stratified crust, with a refractory, dehydrated lower portion overlain by a complementary enriched upper portion. Since the lower to mid portions of continental crust are rarely exposed, investigation of the cratonization process must be through indirect methods. In this study we use in situ Hf and O isotope compositions of both magmatic and inherited zircons from several felsic magmatic suites in the Capricorn Orogen of Western Australia to highlight the differentiation history (i.e. cratonization) of this portion of late Archean to Proterozoic orogenic crust. The Capricorn Orogen shows a distinct tectonomagmatic history that evolves from an active continental margin through to intracratonic reworking, ultimately leading to thermally stable crust that responds similarly to the bounding Archean Pilbara and Yilgarn Cratons. The majority of magmatic zircons from the main magmatic cycles have Hf isotopic compositions that are generally more evolved than CHUR, forming vertical arrays that extend to moderately radiogenic compositions. Complimentary O isotope data, also show a significant variation in composition. However, combined, these data define not only the source components from which the magmas were derived, but also a range of physio-chemical processes that operated during magma transport and emplacement. These data also identify a previously unknown crustal reservoir in the Capricorn Orogen. Crown Copyright (C) 2016 Published by Elsevier B.V. All rights reserved.
C1 [Johnson, Simon P.; Korhonen, Fawna J.] Geol Survey Western Australia, Mineral House,100 Plain St, East Perth, WA 6004, Australia.
[Kirkland, Christopher L.] Curtin Univ, Ctr Explorat Targeting Curtin, Dept Appl Geol, Bentley, WA 6102, Australia.
[Cliff, John B.] Pacific Northwest Natl Lab, Environm Mol Sci Lab, 3335 Innovat Blvd, Richland, WA 99354 USA.
[Belousova, Elena A.] Macquarie Univ, Dept Earth & Planetary Sci, GEMOG, Sydney, NSW 2109, Australia.
[Sheppard, Stephen] Curtin Univ, Dept Appl Geol, Kent St, Bentley, WA 6102, Australia.
RP Johnson, SP (reprint author), Geol Survey Western Australia, Mineral House,100 Plain St, East Perth, WA 6004, Australia.
EM simonpaul.johnson@dmp.wa.gov.au
OI Kirkland, Christopher/0000-0003-3367-8961
NR 46
TC 1
Z9 1
U1 2
U2 2
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0024-4937
EI 1872-6143
J9 LITHOS
JI Lithos
PD JAN
PY 2017
VL 268
BP 76
EP 86
DI 10.1016/j.lithos.2016.11.003
PG 11
WC Geochemistry & Geophysics; Mineralogy
SC Geochemistry & Geophysics; Mineralogy
GA EI7LW
UT WOS:000392680400006
ER
PT J
AU Shokouhi, P
Riviere, J
Le Bas, PY
Ulrich, TJ
AF Shokouhi, Parisa
Riviere, Jacques
Le Bas, Pierre-Yves
Ulrich, T. J.
TI Nonlinear Acoustic Testing for Concrete Materials Evaluation
SO MATERIALS EVALUATION
LA English
DT Article
DE nonlinear acoustics; resonant ultrasound spectroscopy; scaling
subtraction method; dynamic acousto-elastic testing; concrete;
microcracking
ID CODA WAVE INTERFEROMETRY; PROPAGATION; ELASTICITY; ROCK
AB This paper summarizes the results of three nonlinear acoustic tests performed on a series of stress-damaged concrete samples. The three tests were: nonlinear resonant "ultrasound" spectroscopy (NRUS), scaling subtraction method (SSM), and dynamic acousto-elastic testing (DAET). The test samples were cut out of a large concrete block emulating common field investigation scenarios, where the quality of an existing structure was examined at different locations. One sample was left intact while the others were pressed to 10, 20, 30, 40, 60, and 70% of the (nominal) ultimate compressive strength of their common concrete mixture. NRUS was performed on all samples, whereas SSM and DAET were conducted on a subset of samples. In addition, the conventional (linear) resonant "ultrasound" spectroscopy and ultrasonic pulse velocity measurements for all samples are reported. The authors present the theoretical background of nonlinear acoustic testing, discuss the principles and outcome of each test, and compare the corresponding results of linear and nonlinear acoustic techniques. The obtained results attest to the high sensitivity of nonlinear acoustic measurements (that is, estimated nonlinear elastic material parameters) to the presence of microcracks. While NRUS, SSM, and DAET clearly differentiate between intact and moderately damaged samples, neither linear wave velocities nor (linear) dynamic elastic moduli can reliably delineate undamaged and damaged concrete.
C1 [Shokouhi, Parisa] Penn State Univ, Dept Civil & Environm Engn, University Pk, PA 16802 USA.
[Riviere, Jacques] Penn State Univ, Dept Geosci, University Pk, PA 16802 USA.
[Le Bas, Pierre-Yves; Ulrich, T. J.] Los Alamos Natl Lab, Earth & Environm Sci 17, Detonator Technol Q6, Los Alamos, NM 87545 USA.
RP Shokouhi, P (reprint author), Penn State Univ, Dept Civil & Environm Engn, University Pk, PA 16802 USA.
EM parisa@engr.psu.edu; jvr5626@psu.edu; pylb@lanl.gov; tju@lanl.gov
FU U.S. Department of Energy
FX This work was partially supported by a grant from the U.S. Department of
Energy.
NR 40
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U1 2
U2 2
PU AMER SOC NONDESTRUCTIVE TEST
PI COLUMBUS
PA 1711 ARLINGATE LANE PO BOX 28518, COLUMBUS, OH 43228-0518 USA
SN 0025-5327
J9 MATER EVAL
JI Mater. Eval.
PD JAN
PY 2017
VL 75
IS 1
BP 84
EP 93
PG 10
WC Materials Science, Characterization & Testing
SC Materials Science
GA EH8TP
UT WOS:000392045500007
ER
PT J
AU Barkholtz, HM
Liu, DJ
AF Barkholtz, Heather M.
Liu, Di-Jia
TI Advancements in rationally designed PGM-free fuel cell catalysts derived
from metal-organic frameworks
SO MATERIALS HORIZONS
LA English
DT Review
ID OXYGEN REDUCTION REACTION; NITROGEN-DOPED CARBON; STRUCTURE-PERFORMANCE
CORRELATION; ZEOLITIC IMIDAZOLATE FRAMEWORKS; HIGH ELECTROCATALYTIC
ACTIVITY; INFINITE POLYMERIC FRAMEWORKS; DENSITY-FUNCTIONAL THEORY; O-2
ELECTRO-REDUCTION; N-C CATALYSTS; POROUS CARBON
AB Over the past several years, metal-organic framework (MOF)-derived platinum group metal free (PGM-free) electrocatalysts have gained considerable attention due to their high efficiency and low cost as potential replacement for platinum in catalyzing oxygen reduction reaction (ORR). In this review, we summarize the recent advancements in design, synthesis and characterization of MOF-derived ORR catalysts and their performances in acidic and alkaline media. We also discuss the key challenges such as durability and activity enhancement critical in moving forward this emerging electrocatalyst science.
C1 [Barkholtz, Heather M.; Liu, Di-Jia] Argonne Natl Lab, Chem Sci & Engn, 9700 Cass Ave, Lemont, IL 60439 USA.
[Barkholtz, Heather M.] Sandia Natl Labs, Energy Storage Technol & Syst Grp, POB 5800, Albuquerque, NM 87158 USA.
RP Liu, DJ (reprint author), Argonne Natl Lab, Chem Sci & Engn, 9700 Cass Ave, Lemont, IL 60439 USA.
EM djliu@anl.gov
FU U.S. Department of Energy's Office of Science; Office of Energy
Efficiency and Renewable Energy, Fuel Cell Technologies Office
FX We wish to acknowledge the financial support by the U.S. Department of
Energy's Office of Science and the Office of Energy Efficiency and
Renewable Energy, Fuel Cell Technologies Office.
NR 175
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U1 44
U2 44
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2051-6347
EI 2051-6355
J9 MATER HORIZ
JI Mater. Horizons
PY 2017
VL 4
IS 1
BP 20
EP 37
DI 10.1039/c6mh00344c
PG 18
WC Chemistry, Multidisciplinary; Materials Science, Multidisciplinary
SC Chemistry; Materials Science
GA EI4QI
UT WOS:000392478000002
ER
PT J
AU Wang, J
Ma, ZH
Carr, SA
Mertins, P
Zhang, H
Zhang, Z
Chan, DW
Ellis, MJC
Townsend, RR
Smith, RD
McDermott, JE
Chen, X
Paulovich, AG
Boja, ES
Mesri, M
Kinsinger, CR
Rodriguez, H
Rodland, KD
Liebler, DC
Zhang, B
AF Wang, Jing
Ma, Zihao
Carr, Steven A.
Mertins, Philipp
Zhang, Hui
Zhang, Zhen
Chan, Daniel W.
Ellis, Matthew J. C.
Townsend, R. Reid
Smith, Richard D.
McDermott, Jason E.
Chen, Xian
Paulovich, Amanda G.
Boja, Emily S.
Mesri, Mehdi
Kinsinger, Christopher R.
Rodriguez, Henry
Rodland, Karin D.
Liebler, Daniel C.
Zhang, Bing
TI Proteome Profiling Outperforms Transcriptome Profiling for Coexpression
Based Gene Function Prediction
SO MOLECULAR & CELLULAR PROTEOMICS
LA English
DT Article
ID BREAST-CANCER; PROTEOGENOMIC CHARACTERIZATION; EXPRESSION PROFILES;
MICROARRAY DATA; RNA; NETWORKS; GENOME; QUANTIFICATION; ASSOCIATION;
COMPLEMENT
AB Coexpression of mRNAs under multiple conditions is commonly used to infer cofunctionality of their gene products despite well-known limitations of this "guilt-by-association" (GBA) approach. Recent advancements in mass spectrometry-based proteomic technologies have enabled global expression profiling at the protein level; however, whether proteome profiling data can outperform transcriptome profiling data for coexpression based gene function prediction has not been systematically investigated. Here, we address this question by constructing and analyzing mRNA and protein coexpression networks for three cancer types with matched mRNA and protein profiling data from The Cancer Genome Atlas (TCGA) and the Clinical Proteomic Tumor Analysis Consortium (CPTAC). Our analyses revealed a marked difference in wiring between the mRNA and protein coexpression networks. Whereas protein coexpression was driven primarily by functional similarity between coexpressed genes, mRNA coexpression was driven by both cofunction and chromosomal colocalization of the genes. Functionally coherent mRNA modules were more likely to have their edges preserved in corresponding protein networks than functionally incoherent mRNA modules. Proteomic data strengthened the link between gene expression and function for at least 75% of Gene Ontology (GO) biological processes and 90% of KEGG pathways. A web application Gene2Net (http://cptac.gene2net.org) developed based on the three protein coexpression networks revealed novel gene-function relationships, such as linking ERBB2 (HER2) to lipid biosynthetic process in breast cancer, identifying PLG as a new gene involved in complement activation, and identifying AEBP1 as a new epithelial-mesenchymal transition (EMT) marker. Our results demonstrate that proteome profiling outperforms transcriptome profiling for coexpression based gene function prediction. Proteomics should be integrated if not preferred in gene function and human disease studies.
C1 [Wang, Jing; Ma, Zihao; Zhang, Bing] Vanderbilt Univ, Med Ctr, Dept Biomed Informat, Nashville, TN 37232 USA.
[Wang, Jing; Ellis, Matthew J. C.; Zhang, Bing] Baylor Coll Med, Lester & Sue Smith Breast Ctr, Houston, TX 77030 USA.
[Wang, Jing; Zhang, Bing] Baylor Coll Med, Dept Mol & Human Genet, Houston, TX 77030 USA.
[Carr, Steven A.; Mertins, Philipp] Broad Inst MIT & Harvard, Cambridge, MA 02142 USA.
[Zhang, Hui; Zhang, Zhen; Chan, Daniel W.] Johns Hopkins Med Inst, Dept Pathol, Baltimore, MD 21205 USA.
[Ellis, Matthew J. C.] Baylor Coll Med, Dept Med, Houston, TX 77030 USA.
[Townsend, R. Reid] Washington Univ, Sch Med, Dept Internal Med, St Louis, MO 63110 USA.
[Smith, Richard D.; McDermott, Jason E.; Rodland, Karin D.] Pacific Northwest Natl Lab, Div Biol Sci, Richland, WA 99352 USA.
[Chen, Xian] Univ N Carolina, 130 Mason Farm Rd, Chapel Hill, NC 27599 USA.
[Paulovich, Amanda G.] Fred Hutchinson Canc Res Ctr, Clin Res Div, 1100 Eastlake Ave East, Seattle, WA 98109 USA.
[Boja, Emily S.; Mesri, Mehdi; Kinsinger, Christopher R.; Rodriguez, Henry] NCI, Off Canc Clin Prote Res, Bethesda, MD 20892 USA.
[Liebler, Daniel C.] Vanderbilt Univ, Dept Biochem, Nashville, TN 37232 USA.
[Liebler, Daniel C.] Vanderbilt Ingram Canc Ctr, Jim Ayers Inst Precancer Detect & Diag, Nashville, TN 37232 USA.
RP Zhang, B (reprint author), Vanderbilt Univ, Dept Biomed Informat, Sch Med, 2525 West End Ave,Suite 1475, Nashville, TN 37203 USA.
EM bing.zhang@vanderbilt.edu
RI Smith, Richard/J-3664-2012
OI Smith, Richard/0000-0002-2381-2349
FU National Cancer Institute (NCI) CPTAC [U24CA159988, U24CA160034,
U24CA160019, U24CA160036, U24CA160035]; Leidos Biomedical Research, Inc.
[13XS029, 15X038]; Cancer Prevention & Research Institutes of Texas
[RR160027]; McNair Medical Institute at Baylor College of Medicine; NCI
CPTAC consortium
FX This work was supported by National Cancer Institute (NCI) CPTAC awards
U24CA159988, U24CA160034, U24CA160019, U24CA160036, and U24CA160035, and
by contract 13XS029 and 15X038 from Leidos Biomedical Research, Inc.
B.Z. and J.W. are partially supported by grant RR160027 from the Cancer
Prevention & Research Institutes of Texas and funding from the McNair
Medical Institute at Baylor College of Medicine. The content is solely
the responsibility of the authors and does not necessarily represent the
official views of the National Institutes of Health. This work is
supported by the NCI CPTAC consortium. A complete list of the consortium
members can be found in supplemental Text S1.
NR 55
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U1 3
U2 3
PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC
PI BETHESDA
PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA
SN 1535-9476
EI 1535-9484
J9 MOL CELL PROTEOMICS
JI Mol. Cell. Proteomics
PD JAN
PY 2017
VL 16
IS 1
BP 121
EP 134
DI 10.1074/mcp.M116.060301
PG 14
WC Biochemical Research Methods
SC Biochemistry & Molecular Biology
GA EI0ZU
UT WOS:000392205300010
PM 27836980
ER
PT J
AU Lee, JA
Hacker, JP
Delle Monache, L
Kosovic, B
Clifton, A
Vandenberghe, F
Rodrigo, JS
AF Lee, Jared A.
Hacker, Joshua P.
Delle Monache, Luca
Kosovic, Branko
Clifton, Andrew
Vandenberghe, Francois
Rodrigo, Javier Sanz
TI Improving Wind Predictions in the Marine Atmospheric Boundary Layer
through Parameter Estimation in a Single-Column Model
SO MONTHLY WEATHER REVIEW
LA English
DT Article
ID 4-DIMENSIONAL DATA ASSIMILATION; AREA MESOSCALE MODEL; KALMAN-FILTER;
SURFACE-WAVES; ENSEMBLE-FILTER; DOPPLER LIDAR; SEA; FORECASTS; PBL;
SIMULATIONS
AB A current barrier to greater deployment of offshore wind turbines is the poor quality of numerical weather prediction model wind and turbulence forecasts over open ocean. The bulk of development for atmospheric boundary layer (ABL) parameterization schemes has focused on land, partly because of a scarcity of observations over ocean. The 100-m FINO1 tower in the North Sea is one of the few sources worldwide of atmospheric profile observations from the sea surface to turbine hub height. These observations are crucial to developing a better understanding and modeling of physical processes in the marine ABL.
In this study the WRF single-column model (SCM) is coupled with an ensemble Kalman filter from the Data Assimilation Research Testbed (DART) to create 100-member ensembles at the FINO1 location. The goal of this study is to determine the extent to which model parameter estimation can improve offshore wind forecasts. Combining two datasets that provide lateral forcing for the SCM and two methods for determining z(0), the time-varying sea surface roughness length, four WRF-SCM/DART experiments are conducted during the October-December 2006 period. The two methods for determining z(0) are the default Fairall-adjusted Charnock formulation in WRF and use of the parameter estimation techniques to estimate z(0) in DART. Using DART to estimate z(0) is found to reduce 1-h forecast errors of wind speed over the Charnock-Fairall z(0) ensembles by 4%-22%. However, parameter estimation of z(0) does not simultaneously reduce turbulent flux forecast errors, indicating limitations of this approach and the need for new marine ABL parameterizations.
C1 [Lee, Jared A.; Hacker, Joshua P.; Delle Monache, Luca; Kosovic, Branko; Vandenberghe, Francois] Natl Ctr Atmospher Res, Res Applicat Lab, POB 3000, Boulder, CO 80307 USA.
[Clifton, Andrew] Natl Renewable Energy Lab, Golden, CO USA.
[Rodrigo, Javier Sanz] Ctr Nacl Energias Renovables, Sarriguren, Spain.
RP Lee, JA (reprint author), Natl Ctr Atmospher Res, Res Applicat Lab, POB 3000, Boulder, CO 80307 USA.
EM jaredlee@ucar.edu
FU National Science Foundation; U.S. Department of Energy [DE-EE0005374]
FX This project was funded by the U.S. Department of Energy under Contract
DE-EE0005374. We would like to acknowledge high-performance computing
support on Yellowstone (ark:/85065/d7wd3xhc) provided by NCAR's
Computational and Information Systems Laboratory, which is sponsored by
the National Science Foundation. Additionally, several of the analysis
and plotting scripts were coded using the NCAR Command Language (NCL;
doi: 10.5065/D6WD3XH5). FINO1 data were provided by the German Bundesamt
fur Seeschifffahrt und Hydrographie under agreements with the National
Renewable Energy Laboratory (NREL) and NCAR. We thank the Danish
Meteorological Institute (DMI) for providing the high-resolution SST
analyses for the region around northern Europe. The authors also thank
Sue Ellen Haupt (NCAR), Terri Marshburn (NREL),
NR 64
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U1 5
U2 5
PU AMER METEOROLOGICAL SOC
PI BOSTON
PA 45 BEACON ST, BOSTON, MA 02108-3693 USA
SN 0027-0644
EI 1520-0493
J9 MON WEATHER REV
JI Mon. Weather Rev.
PD JAN
PY 2017
VL 145
IS 1
BP 5
EP 24
DI 10.1175/MWR-D-16-0063.1
PG 20
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA EI3SP
UT WOS:000392411900002
ER
PT J
AU Liu, G
Liu, YG
Endo, S
AF Liu, Gang
Liu, Yangang
Endo, Satoshi
TI Evaluation of surface flux parameterizations with long-term ARM
observations (vol 141, pg 773, 2013)
SO MONTHLY WEATHER REVIEW
LA English
DT Correction
C1 [Liu, Gang; Liu, Yangang; Endo, Satoshi] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Liu, Gang] Nanjing Univ, Sch Atmospher Sci, Nanjing, Jiangsu, Peoples R China.
RP Liu, G (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.; Liu, G (reprint author), Nanjing Univ, Sch Atmospher Sci, Nanjing, Jiangsu, Peoples R China.
EM gangliu@nju.edu.cn
NR 1
TC 0
Z9 0
U1 0
U2 0
PU AMER METEOROLOGICAL SOC
PI BOSTON
PA 45 BEACON ST, BOSTON, MA 02108-3693 USA
SN 0027-0644
EI 1520-0493
J9 MON WEATHER REV
JI Mon. Weather Rev.
PD JAN
PY 2017
VL 145
IS 1
BP 405
EP 409
DI 10.1175/MWR-D-16-0005.1
PG 5
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA EI3SP
UT WOS:000392411900023
ER
PT J
AU Severa, W
Parekh, O
James, CD
Aimone, JB
AF Severa, William
Parekh, Ojas
James, Conrad D.
Aimone, James B.
TI A Combinatorial Model for Dentate Gyrus Sparse Coding
SO NEURAL COMPUTATION
LA English
DT Article
ID ADULT NEUROGENESIS; PATTERN SEPARATION; ENTORHINAL CORTEX; GRANULE
CELLS; GRID CELLS; HIPPOCAMPUS; MEMORY; STORAGE; DORSAL; SYSTEM
AB The dentate gyrus forms a critical link between the entorhinal cortex and CA3 by providing a sparse version of the signal. Concurrent with this increase in sparsity, a widely accepted theory suggests the dentate gyrus performs pattern separationsimilar inputs yield decorrelated outputs. Although an active region of study and theory, few logically rigorous arguments detail the dentate gyrus's (DG) coding. We suggest a theoretically tractable, combinatorial model for this action. The model provides formal methods for a highly redundant, arbitrarily sparse, and decorrelated output signal.To explore the value of this model framework, we assess how suitable it is for two notable aspects of DG coding: how it can handle the highly structured grid cell representation in the input entorhinal cortex region and the presence of adult neurogenesis, which has been proposed to produce a heterogeneous code in the DG. We find tailoring the model to grid cell input yields expansion parameters consistent with the literature. In addition, the heterogeneous coding reflects activity gradation observed experimentally. Finally, we connect this approach with more conventional binary threshold neural circuit models via a formal embedding.
C1 [Severa, William; Parekh, Ojas; James, Conrad D.; Aimone, James B.] Sandia Natl Labs, Ctr Res Comp, POB 5800, Albuquerque, NM 87185 USA.
RP Severa, W (reprint author), Sandia Natl Labs, Ctr Res Comp, POB 5800, Albuquerque, NM 87185 USA.
EM wmsever@sandia.gov; odparek@sandia.gov; cdjame@sandia.gov;
jbaimon@sandia.gov
FU Sandia National Laboratories' Laboratory Directed Research and
Development Program under the Hardware Acceleration of Adaptive Neural
Algorithms Grand Challenge; U.S. Department of Energy's National Nuclear
Security Administration [DE-AC04-94AL85000]
FX This work was supported by Sandia National Laboratories' Laboratory
Directed Research and Development Program under the Hardware
Acceleration of Adaptive Neural Algorithms Grand Challenge. Sandia
National Laboratories is a multi-mission laboratory managed and operated
by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin
Corporation, for the U.S. Department of Energy's National Nuclear
Security Administration under contract DE-AC04-94AL85000.
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U1 1
U2 1
PU MIT PRESS
PI CAMBRIDGE
PA ONE ROGERS ST, CAMBRIDGE, MA 02142-1209 USA
SN 0899-7667
EI 1530-888X
J9 NEURAL COMPUT
JI Neural Comput.
PD JAN
PY 2017
VL 29
IS 1
BP 94
EP 117
DI 10.1162/NECO_a_00905
PG 24
WC Computer Science, Artificial Intelligence; Neurosciences
SC Computer Science; Neurosciences & Neurology
GA EI1IQ
UT WOS:000392230800003
PM 27764589
ER
PT J
AU Brake, MRW
AF Brake, M. R. W.
TI A reduced Iwan model that includes pinning for bolted joint mechanics
SO NONLINEAR DYNAMICS
LA English
DT Article
DE Joint mechanics; Iwan model; Pinning; Friction
ID FRICTION; SYSTEMS
AB Bolted joints are prevalent in most assembled structures; however, predictive models for their behavior do not exist. Calibrated models, such as the Iwan model, are able to predict the response of a jointed structure over a range of excitations once calibrated at a nominal load. The Iwan model, though, is not widely adopted due to the high computational expense of implementation. To address this, an analytical solution of the Iwan model is derived under the hypothesis that for an arbitrary load reversal, there is a new distribution of dry friction elements, which are now stuck, that approximately resemble a scaled version of the original distribution of dry friction elements. The dry friction elements internal to the Iwan model do not have a uniform set of parameters and are described by a distribution of parameters, i.e., which internal dry friction elements are stuck or slipping at a given load, that ultimately governs the behavior of the joint as it transitions from microslip to macroslip. This hypothesis allows the model to require no information from previous loading cycles. Additionally, the model is extended to include the pinning behavior inherent in a bolted joint. Modifications of the resulting framework are discussed to highlight how the constitutive model for friction can be changed (in the case of an Iwan-Stribeck formulation) or how the distribution of dry friction elements can be changed (as is the case for the Iwan plasticity model). The reduced Iwan plus pinning model is then applied to the Brake-Reu beam in order to discuss methods to deduce model parameters from experimental data.
C1 [Brake, M. R. W.] Rice Univ, Houston, TX 77005 USA.
[Brake, M. R. W.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
RP Brake, MRW (reprint author), Rice Univ, Houston, TX 77005 USA.
EM brake@rice.edu
FU US Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX Sandia National Laboratories is a multi-mission laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporations, for the US Department of Energy's National Nuclear
Security Administration under Contract DE-AC04-94AL85000.
NR 35
TC 0
Z9 0
U1 1
U2 1
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0924-090X
EI 1573-269X
J9 NONLINEAR DYNAM
JI Nonlinear Dyn.
PD JAN
PY 2017
VL 87
IS 2
BP 1335
EP 1349
DI 10.1007/s11071-016-3117-2
PG 15
WC Engineering, Mechanical; Mechanics
SC Engineering; Mechanics
GA EI2CD
UT WOS:000392293200042
ER
PT J
AU Elhadj, S
Yoo, JH
Negres, RA
Menor, MG
Adams, JJ
Shen, N
Cross, DA
Bass, IL
Bude, JD
AF Elhadj, Selim
Yoo, Jae-hyuck
Negres, Raluca A.
Menor, Marlon G.
Adams, John J.
Shen, Nan
Cross, David A.
Bass, Isaac L.
Bude, Jeff D.
TI Optical damage performance of conductive widegap semiconductors:
spatial, temporal, and lifetime modeling
SO OPTICAL MATERIALS EXPRESS
LA English
DT Article
ID LASER-DAMAGE; THIN-FILM; THRESHOLD; PULSES; MECHANISMS; INCUBATION; GAN;
NM
AB The optical damage performance of electrically conductive gallium nitride (GaN) and indium tin oxide (ITO) films is addressed using large area, high power laser beam exposures at 1064 nm sub-bandgap wavelength. Analysis of the laser damage process assumes that onset of damage (threshold) is determined by the absorption and heating of a nanoscale region of a characteristic size reaching a critical temperature. This model is used to rationalize semi-quantitatively the pulse width scaling of the damage threshold from picosecond to nanosecond timescales, along with the pulse width dependence of the damage threshold probability derived by fitting large beam damage density data. Multi-shot exposures were used to address lifetime performance degradation described by an empirical expression based on the single exposure damage model. A damage threshold degradation of at least 50% was observed for both materials. Overall, the GaN films tested had 5-10x higher optical damage thresholds than the ITO films tested for comparable transmission and electrical conductivity. The route to optically robust, large aperture transparent electrodes and power optoelectronics may thus involve use of next generation widegap semiconductors such as GaN. (C) 2016 Optical Society of America
C1 [Elhadj, Selim; Yoo, Jae-hyuck; Negres, Raluca A.; Menor, Marlon G.; Adams, John J.; Shen, Nan; Cross, David A.; Bass, Isaac L.; Bude, Jeff D.] Lawrence Livermore Natl Lab, Phys & Life Sci & NIF & Photon Sci, 7000 East Ave, Livermore, CA 94550 USA.
RP Elhadj, S (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci & NIF & Photon Sci, 7000 East Ave, Livermore, CA 94550 USA.
EM elhadj2@llnl.gov
FU U.S. Department of Energy (DOE) [DE-AC52-07NA27344]; Lawrence Livermore
National Laboratory (LLNL); Laboratory Directed Research and Development
[15-ERD-057]
FX U.S. Department of Energy (DOE) (DE-AC52-07NA27344); Lawrence Livermore
National Laboratory (LLNL); Laboratory Directed Research and Development
grant (15-ERD-057)
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U1 3
U2 3
PU OPTICAL SOC AMER
PI WASHINGTON
PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA
SN 2159-3930
J9 OPT MATER EXPRESS
JI Opt. Mater. Express
PD JAN 1
PY 2017
VL 7
IS 1
BP 202
EP 212
DI 10.1364/OME.7.000202
PG 11
WC Materials Science, Multidisciplinary; Optics
SC Materials Science; Optics
GA EI0ZX
UT WOS:000392205600021
ER
PT J
AU Nayyar, IH
Chamberlin, SE
Kaspar, TC
Govind, N
Chambers, SA
Sushko, PV
AF Nayyar, Iffat H.
Chamberlin, Sara E.
Kaspar, Tiffany C.
Govind, Niranjan
Chambers, Scott A.
Sushko, Peter V.
TI Effect of doping and chemical ordering on the optoelectronic properties
of complex oxides: Fe2O3-V2O3 solid solutions and hetero-structures
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID DENSITY-FUNCTIONAL THEORY; PHOTOELECTROCHEMICAL PROPERTIES; HEMATITE
ALPHA-FE2O3; CLUSTER CALCULATIONS; METAL-OXIDES; WATER; ABSORPTION;
FILMS; TIO2; NITROGEN
AB The electronic and optical properties of alpha-(Fe1-xVx)(2)O-3 at low (x = 0.04) and high (x = 0.5) doping levels are investigated using a combination of periodic and embedded cluster approaches, and time-dependent density functional theory. At low V concentrations the onset of the optical absorption is similar to 0.5 eV (i.e., nearly 1.6 eV lower than that in pure alpha-Fe2O3) and corresponds to the electron transitions from V 3d to Fe 3d* orbitals. At high V concentrations, optical absorption energies and intensities are sensitive to specific arrangements of Fe and V atoms and their spin configuration that determine Fe-V hybridization. The onset of the lowest inter-vanadium absorption band in the case of Fe2O3/V2O3 hetero-structures is as low as similar to 0.3 eV and the corresponding peak is at similar to 0.7 eV. In contrast, in the case of solid solutions this peak has lower intensity and is shifted to higher energy (similar to 1.2 eV). Analysis of the orbital character of electronic excitation suggests that Fe2O3/V2O3 hetero-structures absorb light much more effectively than random alloys, thus promoting efficient photo-induced carrier generation. These predictions can be tested in alpha-(Fe1-xVx)(2)O-3 thin films synthesized with well-controlled spatial distribution of Fe and V species.
C1 [Nayyar, Iffat H.; Chamberlin, Sara E.; Kaspar, Tiffany C.; Chambers, Scott A.; Sushko, Peter V.] Pacific Northwest Natl Lab, Div Phys Sci, Phys & Computat Sci Directorate, Richland, WA 99354 USA.
[Govind, Niranjan] Earth & Biol Sci Directorate, Environm Mol Div, Richland, WA 99354 USA.
RP Nayyar, IH; Sushko, PV (reprint author), Pacific Northwest Natl Lab, Div Phys Sci, Phys & Computat Sci Directorate, Richland, WA 99354 USA.
EM iffat.nayyar@pnnl.gov; peter.sushko@pnnl.gov
RI Sushko, Peter/F-5171-2013
OI Sushko, Peter/0000-0001-7338-4146
FU U.S. Department of Energy (DOE), Office of Science, Office of Basic
Energy Sciences (BES), Division of Chemical Sciences, Geosciences, and
Biosciences [48526]; U.S. DOE, Office of Science, BES, Division of
Materials Sciences and Engineering [10122]; U.S. DOE, Office of Science,
BES, Division of Chemical Sciences, Geosciences, and Biosciences and the
Office of Advanced Scientific Computing Research through the Scientific
Discovery through Advanced Computing (SciDAC) program [KC-030106062653];
DOE's Office of Biological and Environmental Research [48341]; United
States DOE [DE-AC05-76RL1830]
FX I.H.N. and S.E.C. were supported by the U.S. Department of Energy (DOE),
Office of Science, Office of Basic Energy Sciences (BES), Division of
Chemical Sciences, Geosciences, and Biosciences under Award Number
48526. T. C. K., P. V. S. and S. A. C. were supported by the U.S. DOE,
Office of Science, BES, Division of Materials Sciences and Engineering
under Award Number 10122. N. G. was supported by the U.S. DOE, Office of
Science, BES, Division of Chemical Sciences, Geosciences, and
Biosciences and the Office of Advanced Scientific Computing Research
through the Scientific Discovery through Advanced Computing (SciDAC)
program under Award Number KC-030106062653. A portion of the research
was performed using EMSL; a national scientific user facility sponsored
by the DOE's Office of Biological and Environmental Research and located
at Pacific Northwest National Laboratory (PNNL), under User Proposal
Number 48341. Computations were performed using PNNL Institutional
Computing (PIC) located at PNNL. PNNL is a multiprogram national
laboratory operated for DOE by Battelle Memorial Institute for the
United States DOE under DOE contract number DE-AC05-76RL1830.
NR 64
TC 0
Z9 0
U1 6
U2 6
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2017
VL 19
IS 2
BP 1097
EP 1107
DI 10.1039/c6cp06087k
PG 11
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA EI3OB
UT WOS:000392399400017
PM 27942648
ER
PT J
AU Frazer, L
Schaller, RD
Chang, KB
Chernatynskiy, A
Poeppelmeier, KR
AF Frazer, Laszlo
Schaller, Richard D.
Chang, Kelvin B.
Chernatynskiy, Aleksandr
Poeppelmeier, Kenneth R.
TI Seeing the invisible plasma with transient phonons in cuprous oxide
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID RESONANT BRILLOUIN-SCATTERING; TOTAL-ENERGY CALCULATIONS; WAVE
BASIS-SET; AB-INITIO; ABSORPTION-SPECTROSCOPY; OPTICAL-ABSORPTION;
COPPER VACANCIES; HOT CARRIERS; CU2O; EXCITONS
AB The emission of phonons from electron-hole plasma is the primary limit on the efficiency of photovoltaic devices operating above the bandgap. In cuprous oxide (Cu2O) there is no luminescence from electron-hole plasma. Therefore, we searched for optical phonons emitted by energetic charge carriers using phonon-to-exciton upconversion transitions. We found 14 meV phonons with a lifetime of 0.916 +/- 0.008 ps and 79 meV phonons that are longer lived and overrepresented. It is surprising that the higher energy phonon has a longer lifetime.
C1 [Frazer, Laszlo] UNSW Sydney, Sch Chem, Sydney, NSW 2052, Australia.
[Frazer, Laszlo] Temple Univ, Dept Chem, 1901 N 13th St, Philadelphia, PA 19122 USA.
[Schaller, Richard D.] Ctr Nanoscale Mat, Argonne Natl Lab, 9700 South Cass Ave,Bldg 440, Argonne, IL 60439 USA.
[Schaller, Richard D.; Chang, Kelvin B.; Poeppelmeier, Kenneth R.] Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.
[Chernatynskiy, Aleksandr] Missouri Univ Sci & Technol, Dept Phys, 117 Phys Bldg, Rolla, MO 65409 USA.
[Poeppelmeier, Kenneth R.] Argonne Natl Lab, Chem Sci & Engn Div, 9700 South Cass Ave, Argonne, IL 60439 USA.
RP Frazer, L (reprint author), UNSW Sydney, Sch Chem, Sydney, NSW 2052, Australia.; Frazer, L (reprint author), Temple Univ, Dept Chem, 1901 N 13th St, Philadelphia, PA 19122 USA.
EM pccp@laszlofrazer.com
OI Frazer, Laszlo/0000-0003-3574-8003
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-06CH11357]; NSF [DMR-1307698]; Argonne National
Laboratory under U.S. Department of Energy [DE-AC36-08GO28308]; NSF
MRSEC program [DMR-1121262]
FX L. F. acknowledges NSF DGE-0801685 and the Institute for Sustainability
and Energy at Northwestern. Use of the Center for Nanoscale Materials
was supported by the U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357.
Crystal growth was supported by NSF DMR-1307698 and in part by Argonne
National Laboratory under U.S. Department of Energy contract
DE-AC36-08GO28308. We acknowledge the X-ray and OMM Facilities at the
MRC of Northwestern, which are supported by NSF MRSEC program
DMR-1121262.
NR 80
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U1 3
U2 3
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2017
VL 19
IS 2
BP 1151
EP 1157
DI 10.1039/c6cp06532e
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA EI3OB
UT WOS:000392399400023
PM 27942630
ER
PT J
AU Figueiras, FG
Karpinsky, D
Tavares, PB
Goncalves, JN
Yanez-Vilar, S
Dos Santos, AFM
Franz, A
Tovar, M
Moreira, JA
Amaral, VS
AF Figueiras, F. G.
Karpinsky, D.
Tavares, P. B.
Goncalves, J. N.
Yanez-Vilar, S.
Moreira Dos Santos, A. F.
Franz, A.
Tovar, M.
Agostinho Moreira, J.
Amaral, V. S.
TI Novel multiferroic state and ME enhancement by breaking the AFM
frustration in LuMn1-xO3
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID HEXAGONAL MANGANITES; WEAK FERROMAGNETISM; LUMNO3; FERROELECTRICITY;
ANOMALIES; ORIGIN
AB This study provides a comprehensive insight into the effects of controlled off-stoichiometry on the structural and multiferroic properties of the hexagonal manganite LuMn1-xO3+delta (x = 0.02; delta similar to 0), supported by neutron powder diffraction measurements confirming single phase P6(3)cm symmetry and evidencing a relevant ferromagnetic component, below T-N similar to 90 K, which breaks the archetypal geometrically frustrated antiferromagnetic state typically ascribed to LuMnO3. The perturbations in the triangular disposition of spins prompt an additional electric polarization contribution and a clear enhancement of the magnetoelectric coupling which are in good agreement with the results of first principles calculations. In addition, Raman spectroscopy, dielectric permittivity, pyroelectric current and magnetic measurements as a function of temperature point out the precursor effects of the magnetic phase transitions involving a strong coupling between spins, lattice and electric order, even above the Neel temperature.
C1 [Figueiras, F. G.; Karpinsky, D.; Goncalves, J. N.; Amaral, V. S.] Univ Aveiro, Dept Phys, P-3810193 Aveiro, Portugal.
[Figueiras, F. G.; Karpinsky, D.; Goncalves, J. N.; Amaral, V. S.] Univ Aveiro, CICECO AIM, P-3810193 Aveiro, Portugal.
[Figueiras, F. G.; Yanez-Vilar, S.; Agostinho Moreira, J.] Univ Porto, Inst Nanosci & Nanotechnol, IFIMUP & IN, Dept Fis Astron, P-4169007 Oporto, Portugal.
[Karpinsky, D.] Natl Res Univ Elect Technol MIET, Moscow, Russia.
[Karpinsky, D.] Natl Acad Sci Belarus, Sci & Pract Mat Res Ctr, Minsk, Byelarus.
[Tavares, P. B.] Univ Trasos Montes & Alto Douro, Ctr Quim Vila Real, Dept Quim, ECVA, P-5001801 Vila Real, Portugal.
[Moreira Dos Santos, A. F.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, POB 2008, Oak Ridge, TN 37831 USA.
[Franz, A.; Tovar, M.] Helmholtz Zentrum Berlin, Hahn Meitne Pl 1, D-14109 Berlin, Germany.
RP Figueiras, FG (reprint author), Univ Aveiro, Dept Phys, P-3810193 Aveiro, Portugal.; Figueiras, FG (reprint author), Univ Aveiro, CICECO AIM, P-3810193 Aveiro, Portugal.; Figueiras, FG (reprint author), Univ Porto, Inst Nanosci & Nanotechnol, IFIMUP & IN, Dept Fis Astron, P-4169007 Oporto, Portugal.
EM ffigueiras@ua.pt
FU FCT [PTDC/FIS/10541/2008, SFRH/BD/25011/2005, SFRH/BPD/80663/2011,
SFRH/BPD/42506/2007, SFRH/BPD/82059/2011]; RSF grant [15-19-20038];
FEDER; European Union [NMI3-II-283883]; FCT/MEC
[POCI-01-0145-FEDER-007679, UID/CTM/50011/2013, PTDC/FIS-NAN/0533/2012,
Norte-070124-FEDER-000070]
FX The authors acknowledge to thank the financial support from the FCT
project PTDC/FIS/10541/2008 "MULTIFOX'', F. G. F author FCT grants
SFRH/BD/25011/2005 and SFRH/BPD/80663/2011, D. V. K. author FCT grant
SFRH/BPD/42506/2007 and RSF grant 15-19-20038, J. N. G. author FCT grant
SFRH/BPD/82059/2011; S. Y. V. author Xunta de Galicia postdoctoral
grant. This work was developed within the scope of the project CICECO
Aveiro Institute of Materials, POCI-01-0145-FEDER-007679 (FCT Ref.
UID/CTM/50011/2013); and through the Project PTDC/FIS-NAN/0533/2012, and
by QREN, through the Project Norte-070124-FEDER-000070 Nanomateriais
Multifuncionais, both financed by national funds through the FCT/MEC and
when appropriate co-financed by FEDER under the PT2020 Partnership
Agreement. Part of NPD measurements used resources at the Spallation
Neutron Source, a DOE Office of Science User Facility operated by the
Oak Ridge National Laboratory. Part of NPD measurements were supported
by the European Union's Seventh Framework Programme (NMI3-II-283883).
NR 35
TC 0
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U1 7
U2 7
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2017
VL 19
IS 2
BP 1335
EP 1341
DI 10.1039/c6cp07682c
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA EI3OB
UT WOS:000392399400044
PM 27973632
ER
PT J
AU Pascal, TA
Wujcik, KH
Wang, DYR
Balsara, NP
Prendergast, D
AF Pascal, Tod A.
Wujcik, Kevin H.
Wang, Dunyang Rita
Balsara, Nitash P.
Prendergast, David
TI Thermodynamic origins of the solvent-dependent stability of lithium
polysulfides from first principles
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID MOLECULAR-DYNAMICS SIMULATIONS; SULFUR BATTERIES; PARANEMIC CROSSOVER;
ABSORPTION-SPECTRA; REDUCTION; PSEUDOPOTENTIALS; SPECIATION; EFFICIENT;
PEPTIDES; CRYSTALS
AB An understanding of the complex solution phase chemistry of dissolved lithium polysulfides is critical to approaches aimed at improving the cyclability and commercial viability of lithium sulfur batteries. Experimental measurements are frustrated by the versatile sulfur-sulfur bond, with spontaneous disproportionation and interconversion leading to unknown equilibrium distributions of polysulfides with varying lengths and charge states. Here, the solubility of isolated lithium polysulfides is calculated from first-principles molecular dynamics simulations. We explore the associated changes in the dissolution free energy, enthalpy and entropy in two regimes: liquid-phase monodentate solvation in dimethylformamide (DMF) and polymer-like chelation in bis(2-methoxyethyl) ether (diglyme). In both of these technologically relevant solvents, we show that the competition between enthalpy and entropy, related to specific interfacial atomic interactions, conspires to increase the relative stability of long chain dianionic species, which exist as Li+-LiSx- contact-ion-pairs. Further, we propose a mechanism of radical polysulfide stabilization in simple solvents through the reorientation of the 1st shell solvent molecules to screen electrostatic fields emanating from the solute and explain nonmonotonicity of the dissolution entropy with polysulfide length in terms of a three-shell solvation model. Our analysis provides statistical dynamics insights into polylsulfide stability, useful to understand or predict the relevant chemical species present in the solvent at low concentrations.
C1 [Pascal, Tod A.; Prendergast, David] Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Wujcik, Kevin H.; Balsara, Nitash P.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
[Wujcik, Kevin H.; Wang, Dunyang Rita; Balsara, Nitash P.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Wang, Dunyang Rita] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Balsara, Nitash P.] Lawrence Berkeley Natl Lab, Energy Technol Area, Berkeley, CA 94720 USA.
RP Pascal, TA; Prendergast, D (reprint author), Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
EM tapascal@lbl.gov; dgprendergast@lbl.gov
FU Assistant Secretary for Energy Efficiency and Renewable Energy, Office
of Vehicle Technologies of the U.S. Department of Energy under the
Batteries for Advanced Transportation Technologies [DE-AC02-05CH11231];
Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy [DE-AC02-05CH11231]; Office of Science of the U.S.
Dpartment of Energy, [DE-AC02-05CH11231]
FX This work was supported by the Assistant Secretary for Energy Efficiency
and Renewable Energy, Office of Vehicle Technologies of the U.S.
Department of Energy under Contract DE-AC02-05CH11231 under the
Batteries for Advanced Transportation Technologies. This work was
performed as a user project at the Molecular Foundry, Lawrence Berkeley
National Laboratory supported by the Office of Science, Office of Basic
Energy Sciences, of the U.S. Department of Energy under the same
contract. Computer simulations used resources of the National Energy
Research Scientific Computing Center, which is supported by the Office
of Science of the U.S. Department of Energy, also under the same
contract.
NR 47
TC 0
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U1 11
U2 11
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2017
VL 19
IS 2
BP 1441
EP 1448
DI 10.1039/c6cp06889h
PG 8
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA EI3OB
UT WOS:000392399400056
PM 27982155
ER
PT J
AU Jimenez-Orozco, C
Florez, E
Moreno, A
Liu, P
Rodriguez, JA
AF Jimenez-Orozco, Carlos
Florez, Elizabeth
Moreno, Andres
Liu, Ping
Rodriguez, Jose A.
TI Acetylene adsorption on delta-MoC(001), TiC(001) and ZrC(001) surfaces:
a comprehensive periodic DFT study
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID ENERGY PARTITIONING ANALYSIS; TRANSITION-METAL CARBIDES; SELECTIVE
HYDROGENATION; MOLYBDENUM CARBIDE; TUNGSTEN CARBIDE; TEMPERATURE
ADSORPTION; ETHYLENE HYDROGENATION; ELECTRONIC-STRUCTURE; CATALYSTS;
PD(111)
AB A comprehensive study of acetylene adsorption on delta-MoC(001), TiC(001) and ZrC(001) surfaces was carried out by means of calculations based on periodic density functional theory, using the Perdew-Burke-Ernzerhof exchange-correlation functional. It was found that the bonding of acetylene was significantly affected by the electronic and structural properties of the carbide surfaces. The adsorbate interacted with metal and/or carbon sites of the carbide. The interaction of acetylene with the TiC(001) and ZrC(001) surfaces was strong (binding energies higher than -3.5 eV), while moderate acetylene adsorption energies were observed on d-MoC(001) (-1.78 eV to -0.66 eV). Adsorption energies, charge density difference plots and Mulliken charges suggested that the binding of the hydrocarbon to the surface had both ionic and covalent contributions. According to the C-C bond lengths obtained, the adsorbed molecule was modified from acetylene-like into ethylene-like on the delta-MoC(001) surface (desired behavior for hydrogenation reactions) but into ethane-like on TiC(001) and ZrC(001). The obtained results suggest that the delta-MoC(001) surface is expected to have the best performance in selective hydrogenation reactions to convert alkynes into alkenes. Another advantage of delta-MoC(001) is that, after C2H2 adsorption, surface carbon sites remain available, which are necessary for H-2 dissociation. However, these sites were occupied when C2H2 was adsorbed on TiC(001) and ZrC(001), limiting their application in the hydrogenation of alkynes.
C1 [Jimenez-Orozco, Carlos; Moreno, Andres] Univ Antioquia UdeA, Fac Ciencias Exactas & Nat, Inst Quim, Quim Recursos Energet & Medio Ambiente, Calle 70 52-21, Medellin, Colombia.
[Florez, Elizabeth] Univ Medellin, Dept Ciencias Basicas, Carrera 87 30-65, Medellin, Colombia.
[Liu, Ping; Rodriguez, Jose A.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
RP Rodriguez, JA (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
EM rodrigez@bnl.gov
FU U.S. DOE Office of Science Facility [DE-SC0012704]; Universidad de
Antioquia; Colombian National Science Foundation (COLCIENCIAS)
FX Part of this research was carried out at Brookhaven National Laboratory
in the Chemistry Department and in the Center for Functional
Nanomaterials, which is a U.S. DOE Office of Science Facility, under
Contract No. DE-SC0012704. The DFT calculations were performed using
computational resources at the Center for Functional Nanomaterials, a
user facility at Brookhaven National Laboratory. A. M. and C. J.-O.
acknowledge the Universidad de Antioquia for the financial support
through "Programa Sostenibilidad''. C. J.-O. acknowledges his PhD
scholarship provided by the Colombian National Science Foundation
(COLCIENCIAS).
NR 45
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U1 12
U2 12
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2017
VL 19
IS 2
BP 1571
EP 1579
DI 10.1039/c6cp07400f
PG 9
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA EI3OB
UT WOS:000392399400069
PM 27990527
ER
PT S
AU Isaac, DD
Prime, MB
Arakere, N
AF Isaac, Daulton D.
Prime, Michael B.
Arakere, Nagaraj
BE Quinn, S
Balandraud, X
TI Residual Stress Measurement of Full-Scale Jet-Engine Bearing Elements
Using the Contour Method
SO RESIDUAL STRESS, THERMOMECHANICS & INFRARED IMAGING, HYBRID TECHNIQUES
AND INVERSE PROBLEMS, VOL 9
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT SEM Annual Conference and Exposition on Experimental and Applied
Mechanics
CY JUN 06-09, 2016
CL Orlando, FL
SP Soc Expt Mech
DE Rolling contact fatigue; Bearings; Contour method; Residual stress;
Finite element model
ID ALUMINUM-ALLOY; NEUTRON-DIFFRACTION; BALL-BEARINGS; STEEL; PREDICTION;
FATIGUE; COMPONENTS; TENSOR; WELDS; CUT
AB Compressive residual stresses provide a well-known advantage to the fatigue life of bearing materials under rolling contact fatigue (RCF), but the stresses change under fatigue loading and may later contribute to failures. Previous measurements of the depth-wise distribution of residual stresses in post-fatigue bearings with X-rays involved the time consuming process of etching to determine subsurface stresses and only in limited locations. By contrast, the contour method determines the 2D residual stress map over a full cross section. The method involves the sectioning of the part using Electrical Discharge Machining, measuring the out of plane displacements of the exposed cross section, and using the afforded field as boundary conditions on a finite element model of the component to back calculate the causative residual stress. For this investigation, the residual hoop stresses in the split inner rings of the main shaft bearing assembly of an aircraft jet engine was mapped using the contour method. Prior to measurement, the full-scale bearing made of hardened AISI M50 was subjected to RCF during engine operation. In this talk, the unique challenges of the particular measurements are discussed. The tested bearings showed effectively no residual stresses induced by the RCF, probably because they were conservatively removed from service prior to sufficient cyclic loading. A more highly loaded bearing will be measured in future work.
C1 [Isaac, Daulton D.; Arakere, Nagaraj] Univ Florida, Dept Mech & Aerosp Engn, Gainesville, FL 32610 USA.
[Isaac, Daulton D.; Prime, Michael B.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA.
RP Prime, MB (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87544 USA.
EM prime@lanl.gov
OI Prime, Michael/0000-0002-4098-5620
FU U.S. Department of Energy [DE-AC52-06NA25396]; Los Alamos National
Laboratory
FX Los Alamos National Laboratory, an affirmative action/equal opportunity
employer, is operated by the Los Alamos National Security, LLC for the
National Nuclear Security Administration of the U.S. Department of
Energy under contract DE-AC52-06NA25396. By approving this article, the
publisher recognizes that the U.S. Government retains nonexclusive,
royalty-free license to publish or reproduce the published form of this
contribution, or to allow others to do so, for U.S. Government purposes.
Los Alamos National Laboratory requests that the publisher identify this
article as work performed under the auspices of the U.S. Department of
Energy. Los Alamos National Laboratory strongly supports academic
freedom and a researcher's right to publish; as an institution, however,
the Laboratory does not endorse the viewpoint of a publication or
guarantee its technical correctness.
NR 60
TC 0
Z9 0
U1 2
U2 2
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-42255-8; 978-3-319-42254-1
J9 C PROC SOC EXP MECH
PY 2017
BP 69
EP 81
DI 10.1007/978-3-319-42255-8_10
PG 13
WC Thermodynamics; Engineering, Mechanical; Mechanics
SC Thermodynamics; Engineering; Mechanics
GA BG8EL
UT WOS:000392264100010
ER
PT S
AU Park, JS
Okasinski, J
AF Park, Jun-Sang
Okasinski, John
BE Quinn, S
Balandraud, X
TI Non-Destructive Internal Lattice Strain Measurement Using High Energy
Synchrotron Radiation
SO RESIDUAL STRESS, THERMOMECHANICS & INFRARED IMAGING, HYBRID TECHNIQUES
AND INVERSE PROBLEMS, VOL 9
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT SEM Annual Conference and Exposition on Experimental and Applied
Mechanics
CY JUN 06-09, 2016
CL Orlando, FL
SP Soc Expt Mech
DE Residual stress; Lattice strain; Synchrotron X-ray; Spiral slits;
Conical slits
ID SLIT
AB High energy synchrotron X-rays can penetrate large samples and real engineering components. Taking advantage of this capability, diffraction techniques using monochromatic X-rays have been widely used to measure the residual strains in engineering components. However, isolating a particular volume inside a large component and measuring the residual strain is a challenge when employing typical monochromatic X-ray techniques. In this work we describe a spiral slit system capable of isolating an interior volume in a polycrystalline sample and non-destructively measuring the lattice strains in the volume. An interference fit sample constructed from a Ni-based superalloy is used to demonstrate the capabilities of the system. We compare the strain results to those measured using a conical slit system, a more mature and established device. The results from several polycrystalline samples with non-cubic crystal symmetry are also presented.
C1 [Park, Jun-Sang; Okasinski, John] Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Lemont, IL 60439 USA.
RP Park, JS (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Lemont, IL 60439 USA.
EM parkjs@aps.anl.gov
FU DOE Office of Science by Argonne National Laboratory [DE-AC02-06CH11357]
FX The authors appreciate Dr. V. Honkimaki at the European Synchrotron
Radiation Facility, France for loaning the spiral slits. This research
used resources of the Advanced Photon Source, a U.S. Department of
Energy (DOE) Office of Science User Facility operated for the DOE Office
of Science by Argonne National Laboratory under Contract No.
DE-AC02-06CH11357.
NR 6
TC 0
Z9 0
U1 2
U2 2
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-42255-8; 978-3-319-42254-1
J9 C PROC SOC EXP MECH
PY 2017
BP 121
EP 126
DI 10.1007/978-3-319-42255-8_16
PG 6
WC Thermodynamics; Engineering, Mechanical; Mechanics
SC Thermodynamics; Engineering; Mechanics
GA BG8EL
UT WOS:000392264100016
ER
PT J
AU Hernandez-Coronado, H
Coronado, M
Del-Castillo-Negrete, D
AF Hernandez-Coronado, H.
Coronado, M.
Del-Castillo-Negrete, D.
TI On the anisotropic advection-diffusion equation with time dependent
coefficients
SO REVISTA MEXICANA DE FISICA
LA English
DT Article
DE Time-dependent diffusion; anisotropic media; tracer and pollutant
transport
ID HETEROGENEOUS POROUS-MEDIA; TRANSPORT; PROBE
AB The advection-diffusion equation with time dependent velocity and anisotropic time dependent diffusion tensor is examined in regard to its non-classical transport features and to the use of a non-orthogonal coordinate system. Although this equation appears in diverse physical problems, particularly in particle transport in stochastic velocity fields and in underground porous media, a detailed analysis of its solutions is lacking. In order to study the effects of the time-dependent coefficients and the anisotropic diffusion on transport, we solve analytically the equation for an initial Dirac delta pulse. We discuss the solutions to three cases: one based on power-law correlation functions where the pulse diffuses faster than the classical rate similar to t, a second case specifically designed to display slower rate of diffusion than the classical one, and a third case to describe hydrodynamic dispersion in porous media.
C1 [Hernandez-Coronado, H.] Univ Nacl Autonoma Mexico, Fac Ciencias, Dept Fis, Apartado Postal 50-542, Mexico City 04510, DF, Mexico.
[Coronado, M.] Inst Mexicano Petr, Lazaro Cardenas 152, Mexico City 07730, DF, Mexico.
[Del-Castillo-Negrete, D.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Hernandez-Coronado, H (reprint author), Univ Nacl Autonoma Mexico, Fac Ciencias, Dept Fis, Apartado Postal 50-542, Mexico City 04510, DF, Mexico.
FU Conacyt-Sener-Hidrocarburos Fund [143935]; U.S. Department of Energy at
Oak Ridge National Laboratory; U.S. Department of Energy
[DE-AC05-00OR22725]
FX This work has been partially supported by Conacyt-Sener-Hidrocarburos
Fund through the project No. 143935. DdCN acknowledges support from the
U.S. Department of Energy at Oak Ridge National Laboratory, managed by
UT-Battalle, LLC, for the U.S. Department of Energy under contract
DE-AC05-00OR22725.
NR 26
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U1 2
U2 2
PU SOC MEXICANA FISICA
PI COYOACAN
PA APARTADO POSTAL 70-348, COYOACAN 04511, MEXICO
SN 0035-001X
J9 REV MEX FIS
JI Rev. Mex. Fis.
PD JAN-FEB
PY 2017
VL 63
IS 1
BP 40
EP 48
PG 9
WC Physics, Multidisciplinary
SC Physics
GA EI3AQ
UT WOS:000392362500007
ER
PT J
AU Ward, JD
Bowden, M
Resch, CT
Eiden, GC
Pemmaraju, CD
Prendergast, D
Duffin, AM
AF Ward, Jesse D.
Bowden, Mark
Resch, C. Tom
Eiden, Gregory C.
Pemmaraju, C. D.
Prendergast, David
Duffin, Andrew M.
TI Identifying anthropogenic uranium compounds using soft X-ray near-edge
absorption spectroscopy
SO SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY
LA English
DT Article
DE Uranium; Nuclear forensics; X-ray absorption spectroscopy
ID URANYL CHLORIDE; NEUTRON-DIFFRACTION; CRYSTAL-STRUCTURE; ULTRAVIOLET;
HYDROLYSIS; EXCHANGE; NITRATE; UO2F2
AB Uranium ores mined for industrial use are typically acid-leached to produce yellowcake and then converted into uranium halides for enrichment and purification. These anthropogenic chemical forms of uranium are distinct from their mineral counterparts. The purpose of this study is to use soft X-ray absorption spectroscopy to characterize several common anthropogenic uranium compounds important to the nuclear fuel cycle. Chemical analyses of these compounds are important for process and environmental monitoring. X-ray absorption techniques have several advantages in this regard, including element-specificity, chemical sensitivity, and high spectral resolution. Oxygen K-edge spectra were collected for uranyl nitrate, uranyl fluoride, and uranyl chloride, and fluorine K-edge spectra were collected for uranyl fluoride and uranium tetrafluoride. Interpretation of the data is aided by comparisons to calculated spectra. The effect of hydration state on the sample, a potential complication in interpreting oxygen K-edge spectra, is discussed. These compounds have unique spectral signatures that can be used to identify unknown samples. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Ward, Jesse D.; Bowden, Mark; Resch, C. Tom; Eiden, Gregory C.; Pemmaraju, C. D.; Prendergast, David; Duffin, Andrew M.] Pacific Northwest Natl Lab, Mass Spectrometry Instrumentat, 902 Battelle Blvd, Richland, WA 99352 USA.
RP Ward, JD (reprint author), Pacific Northwest Natl Lab, Mass Spectrometry Instrumentat, 902 Battelle Blvd, Richland, WA 99352 USA.
EM Jesse.Ward@pnnl.gov
FU Office of Biological and Environmental Research; Office of Science,
Office of Basic Energy Sciences, of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX The research described in this paper is part of the Chemical Imaging
Initiative at Pacific Northwest National Laboratory. It was conducted
under the Laboratory Directed Research and Development Program at PNNL,
a multiprogram national laboratory operated by Battelle for the U.S.
Department of Energy. XRD measurements were conducted at the
Environmental Molecular Sciences Laboratory, a DOE Office of Science
User Facility sponsored by the Office of Biological and Environmental
Research and located at PNNL. X-ray absorption simulations were
performed as part of a User Project with C.D.P. and D.P. at The
Molecular Foundry (TMF), Lawrence Berkeley National Laboratory (LBNL),
and calculations were executed on their Vulcan and Nano compute
clusters, administered by the High-Performance Computing Services Group
at LBNL. TMF is supported by the Office of Science, Office of Basic
Energy Sciences, of the U.S. Department of Energy, under Contract No.
DE-AC02-05CH11231. The authors would like to thank John Fulton at PNNL
for reviewing this document.
NR 56
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U1 5
U2 5
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0584-8547
J9 SPECTROCHIM ACTA B
JI Spectroc. Acta Pt. B-Atom. Spectr.
PD JAN 1
PY 2017
VL 127
BP 20
EP 27
DI 10.1016/j.sab.2016.11.008
PG 8
WC Spectroscopy
SC Spectroscopy
GA EJ0KB
UT WOS:000392896100003
ER
PT J
AU Kuntz, TM
Gilbert, JA
AF Kuntz, Thomas M.
Gilbert, Jack A.
TI Introducing the Microbiome into Precision Medicine
SO TRENDS IN PHARMACOLOGICAL SCIENCES
LA English
DT Review
ID GENE-ENVIRONMENT INTERACTION; ADVERSE DRUG-REACTIONS; HUMAN GUT
MICROBIOME; CLOSTRIDIUM-DIFFICILE; SOCIOECONOMIC-STATUS; CLINICAL
MICROBIOLOGY; ANTIMICROBIAL PEPTIDE; GENOMIC MEDICINE; RISK-FACTOR; HOST
AB Understanding how individual people respond to medical therapy is a key facet of improving the odds ratio that interventions will have a positive impact. Reducing the non-responder rate for an intervention or reducing complications associated with a particular treatment or surgery is the next stage of medical advance. The Precision Medicine Initiative, launched in January 2015, set the stage for enhanced collaboration between researchers and medical professionals to develop next-generation techniques to aid patient treatment and recovery, and increased the opportunities for impactful pre-emptive care. The microbiome plays a crucial role in health and disease, as it influences endocrinology, physiology, and even neurology, altering the outcome of many different disease states, and it augments drug responses and tolerance. We review the implications of the microbiome on precision health initiatives and highlight excellent examples, whereby precision microbiome health has been implemented.
C1 [Kuntz, Thomas M.] Univ Chicago, Dept Chem, 929 East 57th St, Chicago, IL 60637 USA.
[Kuntz, Thomas M.; Gilbert, Jack A.] Univ Chicago, Dept Surg, Microbiome Ctr, 5841 S Maryland Ave, Chicago, IL 60637 USA.
[Gilbert, Jack A.] Argonne Natl Lab, Biosci Div 810, 9700 South Cass Ave, Argonne, IL 60439 USA.
[Gilbert, Jack A.] Marine Biol Lab, Woods Hole, MA 02543 USA.
RP Gilbert, JA (reprint author), Univ Chicago, Dept Surg, Microbiome Ctr, 5841 S Maryland Ave, Chicago, IL 60637 USA.; Gilbert, JA (reprint author), Argonne Natl Lab, Biosci Div 810, 9700 South Cass Ave, Argonne, IL 60439 USA.; Gilbert, JA (reprint author), Marine Biol Lab, Woods Hole, MA 02543 USA.
EM gilbertjack@uchicago.edu
NR 105
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U1 9
U2 9
PU ELSEVIER SCIENCE LONDON
PI LONDON
PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND
SN 0165-6147
J9 TRENDS PHARMACOL SCI
JI Trends Pharmacol. Sci.
PD JAN
PY 2017
VL 38
IS 1
BP 81
EP 91
DI 10.1016/j.tips.2016.10.001
PG 11
WC Pharmacology & Pharmacy
SC Pharmacology & Pharmacy
GA EI2XH
UT WOS:000392352400010
PM 27814885
ER
PT J
AU Van Cleve, T
Moniri, S
Belok, G
More, KL
Linic, S
AF Van Cleve, Tim
Moniri, Saman
Belok, Gabrielle
More, Karren L.
Linic, Suljo
TI Nanoscale Engineering of Efficient Oxygen Reduction Electrocatalysts by
Tailoring the Local Chemical Environment of Pt Surface Sites
SO ACS CATALYSIS
LA English
DT Article
DE oxygen reduction; platinum alloy catalysts; core shell nanoparticles;
fuel cells; electrocatalysis
ID ELECTRONIC-STRUCTURE; FUEL-CELLS; HETEROGENEOUS CATALYSIS; ALLOY
NANOPARTICLES; PT-NI; PLATINUM; STABILITY; SHELL; CORE; STABILIZATION
AB The oxygen reduction reaction is the limiting half reaction in hydrogen fuel cells. While Pt is the most active single component electrocatalyst for the reaction, it is hampered by high cost and low reaction rates. Most research to overcome these limitations has focused on Pt/3d alloys, which offer higher rates and lower cost. Herein, we have synthesized, characterized, and tested alloy materials belonging to a multilayer family of electrocatalysts. The multilayer alloy materials contain an AuCu alloy core of precise composition, surrounded by Au layers and covered by a catalytically active Pt surface layer. Their performance relative to that of the commercial Pt standards reaches up to 4 times improved area-specific activity. Characterization studies support the hypothesis that the activity improvement originates from a combination of Au-Pt ligand effects and local strain effects manipulated through the AuCu alloy core. The presented approach to control the strain and ligand effects in the synthesis of Pt-based alloys for the ORR is very general and could lead to promising alloy materials.
C1 [Van Cleve, Tim; Moniri, Saman; Belok, Gabrielle; Linic, Suljo] Univ Michigan, Dept Chem Engn, Ann Arbor, MI 48109 USA.
[More, Karren L.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Linic, S (reprint author), Univ Michigan, Dept Chem Engn, Ann Arbor, MI 48109 USA.
EM linic@umich.edu
OI Moniri, Saman/0000-0003-0723-5091
FU US DOE Office of Basic Energy Sciences, Division of Chemical Sciences
[FG-02-05ER15686]; Oak Ridge National Laboratory (ORNL) Center for Nano
phase Materials Sciences, which is an Office of Science User Facility
FX We acknowledge support from the US DOE Office of Basic Energy Sciences,
Division of Chemical Sciences (FG-02-05ER15686). We also acknowledge the
University of Michigan X-ray Micro-Analysis Laboratory and Chemistry
Technical Services for use of characterization and analytic facilities.
Research was also supported as part of a user project by the Oak Ridge
National Laboratory (ORNL) Center for Nano phase Materials Sciences,
which is an Office of Science User Facility (K.L.M.). Finally, we
acknowledge H. Xin and A. Holewinski for helpful discussions and
experimental assistance.
NR 51
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PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2155-5435
J9 ACS CATAL
JI ACS Catal.
PD JAN
PY 2017
VL 7
IS 1
BP 17
EP 24
DI 10.1021/acscatal.6b01565
PG 8
WC Chemistry, Physical
SC Chemistry
GA EH4ZU
UT WOS:000391783200003
ER
PT J
AU Licht, RB
Bell, AT
AF Licht, Rachel B.
Bell, Alexis T.
TI A DFT Investigation of the Mechanism of Propene Ammoxidation over
alpha-Bismuth Molybdate
SO ACS CATALYSIS
LA English
DT Article
DE ammoxidation; bismuth molybdate; DFT; propene; ammonia; acrylonitrile;
acrolein
ID VANADIUM MOLYBDENUM OXIDE; MINIMUM ENERGY PATHS; ELASTIC BAND METHOD;
SELECTIVE OXIDATION; CATALYTIC-OXIDATION; PROPYLENE OXIDATION;
SADDLE-POINTS; KINETICS; FUNCTIONALS; ACRYLONITRILE
AB The mechanisms and energetics for the propene oxidation and ammoxidation occurring on the (010) surface of Bi2Mo3O12 were investigated using density functional theory (DFT). An energetically feasible sequence of elementary steps for propene oxidation to acrolein, propene ammoxidation to acrylonitrile, and acrolein ammoxidation to acrylonitrile is proposed. Consistent with experimental findings, the rate-limiting step for both propene oxidation and ammoxidation is the initial hydrogen abstraction from the methyl group of propene, which is calculated to have an apparent activation energy of 27.3 kcal/mol. The allyl species produced in this reaction is stabilized as an allyl alkoxide, which can then undergo hydrogen abstraction to form acrolein or react with ammonia adsorbed on under-coordinated surface Bi3+ cations to form allylamine. Dehydrogenation of allylamine is shown to produce acrylonitrile, whereas reaction with additional adsorbed ammonia leads to the formation of acetonitrile and hydrogen cyanide. The dehydrogenation of allyalkoxide species is found to have a significantly higher activation barrier than reaction with adsorbed ammonia, consistent with the observation that very little acrolein is produced when ammonia is present. Rapid reoxidation of the catalyst surface to release water is found to be the driving force for all reactions involving the cleavage of C-H or N-H bonds, because practically all of these steps are endothermic.
C1 [Bell, Alexis T.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Bell, AT (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
EM alexbell@berkeley.edu
FU Office of Basic Science of the U.S. Department of Energy
[DE-AC02-05CH11231]; NSF [CHE-0840505]; Office of Science, Office of
Basic Energy Sciences; Division of Chemical Sciences, Geosciences, and
Biosciences of the U.S. Department of Energy at Lawrence Berkeley
National Laboratory [DE-AC02-05CH11231]
FX Calculations presented in this work were conducted at the National
Energy Research Scientific Computing Center (NERSC), which is supported
by the Office of Basic Science of the U.S. Department of Energy under
Contract No. DE-AC02-05CH11231. Additional calculations were performed
at the University of California, Berkeley Molecular Graphics and
Computation Facility, which is supported by NSF Grant CHE-0840505.
Funding for this work was provided by the Director, Office of Science,
Office of Basic Energy Sciences, and by the Division of Chemical
Sciences, Geosciences, and Biosciences of the U.S. Department of Energy
at Lawrence Berkeley National Laboratory under Contract No.
DE-AC02-05CH11231.
NR 43
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U1 13
U2 13
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2155-5435
J9 ACS CATAL
JI ACS Catal.
PD JAN
PY 2017
VL 7
IS 1
BP 161
EP 176
DI 10.1021/acscatal.6b02523
PG 16
WC Chemistry, Physical
SC Chemistry
GA EH4ZU
UT WOS:000391783200019
ER
PT J
AU Candelaria, SL
Bedford, NM
Woehl, TJ
Rentz, NS
Showalter, AR
Pylypenko, S
Bunker, BA
Lee, S
Reinhart, B
Ren, Y
Ertem, SP
Coughlin, EB
Sather, NA
Horan, JL
Herring, AM
Greenleette, LF
AF Candelaria, Stephanie L.
Bedford, Nicholas M.
Woehl, Taylor J.
Rentz, Nikki S.
Showalter, Allison R.
Pylypenko, Svitlana
Bunker, Bruce A.
Lee, Sungsik
Reinhart, Benjamin
Ren, Yang
Ertem, S. Piril
Coughlin, E. Bryan
Sather, Nicholas A.
Horan, James L.
Herring, Andrew M.
Greenleette, Lauren F.
TI Multi-Component Fe-Ni Hydroxide Nanocatalyst for Oxygen Evolution and
Methanol Oxidation Reactions under Alkaline Conditions
SO ACS CATALYSIS
LA English
DT Article
DE electrocatalyst; nonprecious metal; core-shell nanoparticles; oxygen
evolution reaction; alcohol oxidation; fuel cell
ID TOTAL SCATTERING EXPERIMENTS; NICKEL-OXIDE ELECTRODES;
X-RAY-DIFFRACTION; FUEL-CELLS; WATER OXIDATION; CATALYTIC-ACTIVITY;
REACTION ELECTROCATALYSTS; METALLIC NANOPARTICLES;
MORPHOLOGICAL-CHANGES; HYDROGEN-PRODUCTION
AB Iron-incorporated nickel-based materials show promise as catalysts for the oxygen evolution reaction (OER) half-reaction of water electrolysis. Nickel has also exhibited high catalytic activity for methanol oxidation, particularly when in the form of a bimetallic catalyst. In this work, bimetallic iron-nickel nanoparticles were synthesized using a multistep procedure in water under ambient conditions. When compared to monometallic iron and nickel nanoparticles, Fe-Ni nanoparticles show enhanced catalytic activity for both OER and methanol oxidation under alkaline conditions. At 1 mA/cm(2), the overpotential for monometallic iron and nickel nanoparticles was 421 and 476 mV, respectively, while the bimetallic Fe-Ni nanoparticles had a greatly reduced overpotential of 256 mV. At 10 mA/cm(2), bimetallic Fe-Ni nanoparticles had an overpotential of 311 mV. Spectroscopy characterization suggests that the primary phase of nickel in Fe-Ni nanoparticles is the more disordered alpha phase of nickel hydroxide.
C1 [Candelaria, Stephanie L.; Bedford, Nicholas M.; Woehl, Taylor J.; Rentz, Nikki S.; Greenleette, Lauren F.] NIST, Appl Chem & Mat Div, Boulder, CO 80305 USA.
[Showalter, Allison R.; Bunker, Bruce A.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA.
[Pylypenko, Svitlana] Colorado Sch Mines, Dept Chem, Golden, CO 80401 USA.
[Lee, Sungsik; Reinhart, Benjamin; Ren, Yang] Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Ertem, S. Piril; Coughlin, E. Bryan] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA.
[Sather, Nicholas A.; Horan, James L.; Herring, Andrew M.] Colorado Sch Mines, Dept Chem & Biol Engn, Golden, CO 80401 USA.
[Sather, Nicholas A.] Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.
[Greenleette, Lauren F.] Univ Arkansas, Ralph E Martin Dept Chem Engn, Fayetteville, AR 72701 USA.
RP Greenleette, LF (reprint author), NIST, Appl Chem & Mat Div, Boulder, CO 80305 USA.; Greenleette, LF (reprint author), Univ Arkansas, Ralph E Martin Dept Chem Engn, Fayetteville, AR 72701 USA.
EM greenlee@uark.edu
OI Ertem, S. Piril/0000-0001-5742-8831
FU NIST Nanomanufacturing Initiative through the NIST Nanoparticle
Manufacturing Program; DOE Office of Science [DE-AC02-06CH11357];
National Science Foundation [DMR-1063150]; Army Research Office MURI
[W911NF-11-1-0462]
FX Funding for this research was provided by the NIST Nanomanufacturing
Initiative through the NIST Nanoparticle Manufacturing Program. The
authors would like to acknowledge Roy H. Geiss for TEM images of Fe NPs
and Ni NPs (Supporting Information, Figure S1). ICP-MS measurements were
performed at the Laboratory for Environmental and Geological Studies at
the University of Colorado at Boulder. XPS measurements were performed
by Rocky Mountain Laboratory, Inc. in Golden, CO. XAFS and HE-XRD
measurements were performed in 12-BM and 11-ID-C beamlines at the
Advanced Photon Source, a U.S. Department of Energy (DOE) Office of
Science User Facility operated for the DOE Office of Science by Argonne
National Laboratory under Contract DE-AC02-06CH11357. N.S. acknowledges
National Science Foundation award number DMR-1063150, REU Site: Research
Experiences for Undergraduates in Renewable Energy. The authors also
acknowledge Army Research Office MURI award W911NF-11-1-0462.
NR 109
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U2 54
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2155-5435
J9 ACS CATAL
JI ACS Catal.
PD JAN
PY 2017
VL 7
IS 1
BP 365
EP 379
DI 10.1021/acscatal.6b02552
PG 15
WC Chemistry, Physical
SC Chemistry
GA EH4ZU
UT WOS:000391783200044
ER
PT J
AU Camacho-Bunquin, J
Ferrandon, M
Das, U
Dogan, F
Liu, C
Larsen, C
Platero-Prats, AE
Curtiss, LA
Hock, AS
Miller, JT
Nguyen, ST
Marshall, CL
Delferro, M
Stair, PC
AF Camacho-Bunquin, Jeffrey
Ferrandon, Magali
Das, Ujjal
Dogan, Fulya
Liu, Cong
Larsen, Casey
Platero-Prats, Ana E.
Curtiss, Larry A.
Hock, Adam S.
Miller, Jeffrey T.
Nguyen, SonBinh T.
Marshall, Christopher L.
Delferro, Massimiliano
Stair, Peter C.
TI Supported Aluminum Catalysts for Olefin Hydrogenation
SO ACS CATALYSIS
LA English
DT Article
DE alkene hydrogenation; organoaluminum; porous organic polymer; surface
organometallics; heterogeneous catalysis
ID FRUSTRATED LEWIS PAIRS; POROUS ORGANIC POLYMERS; SELECTIVE PROPANE
DEHYDROGENATION; GAMMA-ALUMINA; ASYMMETRIC HYDROGENATION; HYDRIDE
COMPLEXES; SURFACE; SILICA; TRIMETHYLALUMINUM; REDUCTION
AB Three-coordinate alkylaluminum sites were developed on a catechol-containing porous organic polymer support (CatPOP A(2)B(1)). The CatPOP-based alkylaluminum sites were characterized by solid-state attenuated total reflectance IR spectroscopy, H-1 and Al-27 magic-angle-spinning NMR spectroscopy, pair-distribution function X-ray absorption spectroscopy, and elemental analysis. The low-coordinate organoaluminum sites can hydrogenate and isomerize a range of mono- and disubstituted alkenes and alkynes under mild conditions (75-100 degrees C, 5-14 bar H-2, 20 h). Results of experimental and computational mechanistic investigations suggest a heterolytic mechanism for the observed hydrogenation-isomerization activity.
C1 [Camacho-Bunquin, Jeffrey; Ferrandon, Magali; Das, Ujjal; Dogan, Fulya; Liu, Cong; Larsen, Casey; Platero-Prats, Ana E.; Curtiss, Larry A.; Hock, Adam S.; Nguyen, SonBinh T.; Marshall, Christopher L.; Delferro, Massimiliano; Stair, Peter C.] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Platero-Prats, Ana E.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA.
[Hock, Adam S.] IIT, Dept Chem, Chicago, IL 60616 USA.
[Miller, Jeffrey T.] Purdue Univ, Davidson Sch Chem Engn, W Lafayette, IN 47907 USA.
[Nguyen, SonBinh T.; Stair, Peter C.] Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.
RP Camacho-Bunquin, J; Stair, PC (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.; Stair, PC (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.
EM bunquin@anl.gov; pstair@northwestern.edu
RI Platero-Prats, Ana Eva/B-2870-2017;
OI Platero-Prats, Ana Eva/0000-0002-2248-2739; Liu,
Cong/0000-0002-2145-5034
FU U.S. Department of Energy (DOE), Office of Basic Energy Sciences,
Division of Chemical Sciences, Geosciences, and Biosciences
[DE-AC02-06CH11357]; Beatriu de Pinos Fellowship from the Catalan Agency
for Administration of University and Research (AGAUR) [BP-DGR 2014]; DOE
Office of Science [DE-AC02-06CH11357]
FX This work was supported by the U.S. Department of Energy (DOE), Office
of Basic Energy Sciences, Division of Chemical Sciences, Geosciences,
and Biosciences, under Contract DE-AC02-06CH11357. A.E.P-.P.
acknowledges a Beatriu de Pinos Fellowship (BP-DGR 2014) from the
Catalan Agency for Administration of University and Research (AGAUR).
Theoretical calculations were performed using the computational
resources at the Argonne National Laboratory (ANL) Center for Nanoscale
Materials and resources provided on Fusion and Blues, two
high-performance computing clusters operated by the Laboratory Computing
Resource Center at ANL. High-energy X-ray scattering data suitable for
PDF analyses were collected at beamline 11-ID-B at the Advanced Photon
Source (APS) at ANL. APS is a U.S. DOE User Facility operated for the
DOE Office of Science by ANL under Contract DE-AC02-06CH11357. We also
thank Dr. Javier Bareno for the assistance with the air-sensitive XPS
experiments.
NR 50
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PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2155-5435
J9 ACS CATAL
JI ACS Catal.
PD JAN
PY 2017
VL 7
IS 1
BP 689
EP 694
DI 10.1021/acscatal.6b02771
PG 6
WC Chemistry, Physical
SC Chemistry
GA EH4ZU
UT WOS:000391783200076
ER
PT J
AU McCloskey, BD
Addison, D
AF McCloskey, Bryan D.
Addison, Dan
TI A Viewpoint on Heterogeneous Electrocatalysis and Redox Mediation in
Nonaqueous Li-O-2 Batteries
SO ACS CATALYSIS
LA English
DT Editorial Material
ID LITHIUM-OXYGEN BATTERIES; LI-AIR BATTERIES; KINETIC OVERPOTENTIALS;
OVERCHARGE PROTECTION; CHARGE-TRANSPORT; METAL-SURFACES; ELECTROLYTE;
REDUCTION; CELLS; STABILITY
C1 [McCloskey, Bryan D.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
[McCloskey, Bryan D.] Lawrence Berkeley Natl Lab, Energy Storage & Distributed Resources Div, Berkeley, CA 94720 USA.
[Addison, Dan] Liox Power Inc, 129 N Hill Ave, Pasadena, CA 91106 USA.
RP McCloskey, BD (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.; McCloskey, BD (reprint author), Lawrence Berkeley Natl Lab, Energy Storage & Distributed Resources Div, Berkeley, CA 94720 USA.
EM bmcclosk@berkeley.edu
FU Vehicle Technologies Program Wide Funding Opportunity Announcement Award
by U.S. Department of Energy (DOE) [DE FOA-0000991 (0991-1872)];
National Energy Technology Laboratory (NETL) of the Office of Energy
Efficiency and Renewable Energy (EERE)
FX This work was financially supported as part of the FY 2014 Vehicle
Technologies Program Wide Funding Opportunity Announcement under Award
DE FOA-0000991 (0991-1872) by the U.S. Department of Energy (DOE) and
National Energy Technology Laboratory (NETL) on behalf of the Office of
Energy Efficiency and Renewable Energy (EERE).
NR 71
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PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2155-5435
J9 ACS CATAL
JI ACS Catal.
PD JAN
PY 2017
VL 7
IS 1
BP 772
EP 778
DI 10.1021/acscatal.6b02866
PG 7
WC Chemistry, Physical
SC Chemistry
GA EH4ZU
UT WOS:000391783200083
ER
PT J
AU Fang, Y
Liu, W
Teat, SJ
Dey, G
Shen, ZQ
An, LT
Yu, DC
Wang, L
O'Carroll, DM
Li, J
AF Fang, Yang
Liu, Wei
Teat, Simon J.
Dey, Gangotri
Shen, Zeqing
An, Litao
Yu, Dechao
Wang, Lu
O'Carroll, Deirdre M.
Li, Jing
TI A Systematic Approach to Achieving High Performance Hybrid Lighting
Phosphors with Excellent Thermal- and Photostability
SO ADVANCED FUNCTIONAL MATERIALS
LA English
DT Article
ID WHITE-LIGHT; COORDINATION POLYMERS; QUANTUM EFFICIENCY; EMITTING-DIODES;
CU4I4 CLUSTERS; 3D NETWORK; 1D CHAIN; EMISSION; SEMICONDUCTORS;
NANOCRYSTALS
AB The authors have designed and synthesized a family of high-performance inorganic-organic hybrid phosphor materials composed of extended and robust networks of one, two, and three dimensions. Following a bottom-up solution-based synthetic approach, these structures are constructed by connecting highly emissive Cu4I4 cubic clusters via carefully selected ligands that form strong Cu-N bonds. They emit intensive yellow-orange light with high luminescence quantum efficiency, coupled with large Stokes shift, which greatly reduces self-absorption. They also demonstrate exceptionally high framework-and photostability, comparable to those of commercial phosphors. The high stabilities are the result of significantly enhanced Cu-N bonds, as confirmed by the density functional theory (DFT) binding energy and electron density calculations. Possible emission mechanisms are analyzed based on the results of theoretical calculations and optical experiments. Two-component white phosphors obtained by blending blue and yellow emitters reach an internal quantum yield as high as 82% and correlated color temperature as low as 2534 K. The performance level of this subfamily exceeds all other types of Cu-I based hybrid systems. The combined advantages make them excellent candidates as alternative rare-earth element-free phosphors for possible use in energy-efficient lighting devices.
C1 [Fang, Yang; Liu, Wei; Shen, Zeqing; An, Litao; Wang, Lu; O'Carroll, Deirdre M.; Li, Jing] Rutgers State Univ, Dept Chem & Chem Biol, 610 Taylor Rd, Piscataway, NJ 08854 USA.
[Teat, Simon J.] Lawrence Berkeley Natl Lab, Adv Light Source, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Dey, Gangotri] George Washington Univ, IMPACT, 2121 1st St NW, Washington, DC 20052 USA.
[Yu, Dechao; O'Carroll, Deirdre M.] Rutgers State Univ, Dept Mat Sci & Engn, 607 Taylor Rd, Piscataway, NJ 08854 USA.
RP Li, J (reprint author), Rutgers State Univ, Dept Chem & Chem Biol, 610 Taylor Rd, Piscataway, NJ 08854 USA.
EM jingli@rutgers.edu
FU National Science Foundation [DMR-1507210]; Office of Science, Office of
Basic Energy Science, of the U.S. Department of Energy
[DE-AC02-05CH11231]; U.S. DOE Office of Science Facility at Brookhaven
National Laboratory [DE-SC0012704]
FX Y.F. and W.L. contributed equally to this work. Financial support from
the National Science Foundation (Grant No. DMR-1507210) is gratefully
acknowledged. The Advanced Light Source (ALS) was supported by the
Director, Office of Science, Office of Basic Energy Science, of the U.S.
Department of Energy, under contract DE-AC02-05CH11231. The
temperature-dependent photoluminescence lifetime measurements were
performed at the Center for Functional Nanomaterials, which is a U.S.
DOE Office of Science Facility at Brookhaven National Laboratory under
Contract No. DE-SC0012704. The authors thank Dr. Mircea Cotlet and Dr.
Matthew Sfeir for their help with these measurements.
NR 56
TC 0
Z9 0
U1 12
U2 12
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 1616-301X
EI 1616-3028
J9 ADV FUNCT MATER
JI Adv. Funct. Mater.
PD JAN
PY 2017
VL 27
IS 3
AR 1603444
DI 10.1002/adfm.201603444
PG 10
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EH7BB
UT WOS:000391926700003
ER
PT J
AU Liu, G
Kong, LP
Gong, J
Yang, WG
Mao, HK
Hu, QY
Liu, ZX
Schaller, RD
Zhang, DZ
Xu, T
AF Liu, Gang
Kong, Lingping
Gong, Jue
Yang, Wenge
Mao, Ho-Kwang
Hu, Qingyang
Liu, Zhenxian
Schaller, Richard D.
Zhang, Dongzhou
Xu, Tao
TI Pressure-Induced Bandgap Optimization in Lead-Based Perovskites with
Prolonged Carrier Lifetime and Ambient Retainability
SO ADVANCED FUNCTIONAL MATERIALS
LA English
DT Article
ID TO-BLACK PIEZOCHROMISM; SOLAR-CELLS; HALIDE PEROVSKITE; HYBRID
PEROVSKITES; TRIHALIDE PEROVSKITES; OPTICAL-PROPERTIES; IODIDE
PEROVSKITE; FORMAMIDINIUM; EFFICIENCY; DIFFUSION
AB Bond length and bond angle exhibited by valence electrons is essential to the core of chemistry. Using lead-based organic-inorganic perovskite compounds as an exploratory platform, it is demonstrated that the modulation of valence electrons by compression can lead to discovery of new properties of known compounds. Yet, despite its unprecedented progress, further efficiency boost of lead-based organic-inorganic perovskite solar cells is hampered by their wider bandgap than the optimum value according to the Shockley-Queisser limit. By modulating the valence electron wavefunction with modest hydraulic pressure up to 2.1 GPa, the optimized bandgap for single-junction solar cells in lead-based perovskites, for the first time, is achieved by narrowing the bandgap of formamidinium lead triiodide (HC(NH2)(2)PbI3) from 1.489 to 1.337 eV. Strikingly, such bandgap narrowing is partially retained after the release of pressure to ambient, and the bandgap narrowing is also accompanied with double-prolonged carrier lifetime. With First-principles simulation, this work opens a new dimension in basic chemical understanding of structural photonics and electronics and paves an alternative pathway toward better photovoltaic materials-by-design.
C1 [Liu, Gang; Kong, Lingping; Yang, Wenge; Mao, Ho-Kwang] Ctr High Pressure Sci & Technol Adv Res, Shanghai 201203, Peoples R China.
[Liu, Gang; Kong, Lingping; Yang, Wenge; Mao, Ho-Kwang; Hu, Qingyang; Liu, Zhenxian] Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA.
[Gong, Jue; Xu, Tao] Northern Illinois Univ, Dept Chem & Biochem, De Kalb, IL 60115 USA.
[Schaller, Richard D.] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Zhang, Dongzhou] Univ Hawaii Manoa, Sch Ocean & Earth Sci & Technol, Hawaii Inst Geophys & Planetol, Honolulu, HI 96822 USA.
RP Liu, G; Mao, HK (reprint author), Ctr High Pressure Sci & Technol Adv Res, Shanghai 201203, Peoples R China.; Liu, G; Mao, HK (reprint author), Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA.; Xu, T (reprint author), Northern Illinois Univ, Dept Chem & Biochem, De Kalb, IL 60115 USA.
EM liugang@hpstar.ac.cn; mao@gl.ciw.edu; txu@niu.edu
RI Zhang, Dongzhou/D-9604-2017;
OI Zhang, Dongzhou/0000-0002-6679-892X; Gong, Jue/0000-0001-8089-5796
FU NSAF [U1530402]; National Science Foundation [CBET-1150617, EAR
1606856]; DOE-NNSA [DE-NA0001974]; DOE-BES [DE-FG02-99ER45775]; National
Science Foundation (NSF); U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences [DE-AC02-06CH11357]; DOE/NNSA
[DE-NA-0002006]
FX This project was supported by NSAF (Grant No. U1530402) and National
Science Foundation (Grant No. CBET-1150617). High pressure powder
structure characterizations were performed at beamline 16-BM-D at HPCAT,
APS, ANL. HPCAT operations were supported by DOE-NNSA under Award No.
DE-NA0001974 and DOE-BES under Award No. DE-FG02-99ER45775, with partial
instrumentation funding by the National Science Foundation (NSF). Part
of this work was also performed at the Center for Nanoscale Materials
(CNM), ANL, and the Infrared Lab of the National Synchrotron Light
Source (NSLS II), Brookhaven National Laboratory (BNL). The use of APS
and CNM facilities was supported by the U.S. Department of Energy,
Office of Science, Office of Basic Energy Sciences (DE-AC02-06CH11357).
The Infrared Lab was supported by National Science Foundation (EAR
1606856, COMPRES) and DOE/NNSA (DE-NA-0002006, CDAC). The authors also
thank Dr. Victor V. Ryzhov for his experimental support and Dr. H. Sheng
for useful discussions. The computational work was conducted on the
SR10000-K1/52 supercomputing facilities of the Institute for Materials
Research, Tohoku University.
NR 55
TC 1
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U1 26
U2 26
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 1616-301X
EI 1616-3028
J9 ADV FUNCT MATER
JI Adv. Funct. Mater.
PD JAN
PY 2017
VL 27
IS 3
AR 1604208
DI 10.1002/adfm.201604208
PG 8
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EH7BB
UT WOS:000391926700007
ER
PT J
AU Hong, R
Sternberg, MG
Garcia, A
AF Hong, Ran
Sternberg, Matthew G.
Garcia, Alejandro
TI Helicity and nuclear beta decay correlations
SO AMERICAN JOURNAL OF PHYSICS
LA English
DT Article
ID NEUTRINO ANGULAR CORRELATION; PARITY CONSERVATION; POLARIZATION; TESTS
AB We present simple derivations of nuclear beta-decay correlations with an emphasis on the special role of helicity. This topic provides a good opportunity to teach students about helicity and chirality in particle physics with exercises that use simple aspects of quantum mechanics. In addition, this paper serves as an introduction to nuclear beta-decay correlations from both a theoretical and experimental perspective. This article can be used to introduce students to ongoing experiments searching for hints of new physics in the low-energy precision frontier. (C) 2017 American Association of Physics Teachers.
C1 [Hong, Ran] Univ Washington, Dept Phys, Seattle, WA 98195 USA.
Univ Washington, CENPA, Seattle, WA 98195 USA.
[Hong, Ran] Argonne Natl Lab, 9700 S Cass Ave,Bldg 362, Argonne, IL 60439 USA.
RP Hong, R (reprint author), Univ Washington, Dept Phys, Seattle, WA 98195 USA.; Hong, R (reprint author), Argonne Natl Lab, 9700 S Cass Ave,Bldg 362, Argonne, IL 60439 USA.
EM hongran@uw.edu
FU U.S. Department of Energy [DE-FG02-97ER41020]
FX The authors acknowledge the support of the U.S. Department of Energy
under Grant No. DE-FG02-97ER41020. The authors thank Steve Ellis, Jerry
Miller, Ann Nelson, and Derek Storm for helpful comments.
NR 49
TC 0
Z9 0
U1 2
U2 2
PU AMER ASSOC PHYSICS TEACHERS
PI COLLEGE PARK
PA ONE PHYSICS ELLIPSE, COLLEGE PARK, MD 20740-3845 USA
SN 0002-9505
EI 1943-2909
J9 AM J PHYS
JI Am. J. Phys.
PD JAN
PY 2017
VL 85
IS 1
BP 45
EP 53
DI 10.1119/1.4966197
PG 9
WC Education, Scientific Disciplines; Physics, Multidisciplinary
SC Education & Educational Research; Physics
GA EH7GU
UT WOS:000391941800008
ER
PT J
AU Awwal, AAS
Bliss, E
Brunton, G
Kamm, VM
Leach, RR
Lowe-Webb, R
Roberts, R
Wilhelmsen, K
AF Awwal, Abdul A. S.
Bliss, Erlan
Brunton, Gordon
Kamm, Victoria Miller
Leach, Richard R., Jr.
Lowe-Webb, Roger
Roberts, Randy
Wilhelmsen, Karl
TI Centroid stabilization for laser alignment to corner cubes: designing a
matched filter
SO APPLIED OPTICS
LA English
DT Article
ID NATIONAL IGNITION FACILITY; PATTERN-RECOGNITION; PHASE; SYSTEM;
AMPLITUDE; HARDWARE; SIGNAL
AB Automation of image-based alignment of National Ignition Facility high energy laser beams is providing the capability of executing multiple target shots per day. One important alignment is beam centration through the second and third harmonic generating crystals in the final optics assembly (FOA), which employs two retroreflecting corner cubes as centering references for each beam. Beam-to-beam variations and systematic beam changes over time in the FOA corner cube images can lead to a reduction in accuracy as well as increased convergence durations for the template-based position detector. A systematic approach is described that maintains FOA corner cube templates and guarantees stable position estimation. (C) 2016 Optical Society of America
C1 [Awwal, Abdul A. S.; Bliss, Erlan; Brunton, Gordon; Kamm, Victoria Miller; Leach, Richard R., Jr.; Lowe-Webb, Roger; Roberts, Randy; Wilhelmsen, Karl] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
RP Awwal, AAS (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
EM awwal1@llnl.gov
FU U.S. Department of Energy (DOE) [DE-AC52-07NA27344]
FX Lawrence Livermore National Laboratory operated by U.S. Department of
Energy (DOE) (DE-AC52-07NA27344).
NR 24
TC 0
Z9 0
U1 0
U2 0
PU OPTICAL SOC AMER
PI WASHINGTON
PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA
SN 1559-128X
EI 2155-3165
J9 APPL OPTICS
JI Appl. Optics
PD JAN 1
PY 2017
VL 56
IS 1
BP A41
EP A51
DI 10.1364/AO.56.000A41
PG 11
WC Optics
SC Optics
GA EH9KW
UT WOS:000392091200007
ER
PT J
AU Meisner, AM
Lang, D
Schlegel, DJ
AF Meisner, Aaron M.
Lang, Dustin
Schlegel, David J.
TI FULL-DEPTH COADDS OF THE WISE AND FIRST-YEAR NEOWISE-REACTIVATION IMAGES
SO ASTRONOMICAL JOURNAL
LA English
DT Article
DE infrared: general; methods: data analysis; surveys; techniques: image
processing
ID INFRARED-SURVEY-EXPLORER; TARGET SELECTION; PERFORMANCE; MISSION; SKY
AB The Near Earth Object Wide-field Infrared Survey Explorer (NEOWISE) Reactivation mission released data from its first full year of observations in 2015. This data set includes similar to 2.5 million exposures in each of W1 and W2, effectively doubling the amount of WISE imaging available at 3.4 mu m and 4.6 mu m relative to the AllWISE release. We have created the first ever full-sky set of coadds combining all publicly available W1 and W2 exposures from both the AllWISE and NEOWISE-Reactivation (NEOWISER) mission phases. We employ an adaptation of the unWISE image coaddition framework, which preserves the native WISE angular resolution and is optimized for forced photometry. By incorporating two additional scans of the entire sky, we not only improve the W1/W2 depths, but also largely eliminate time-dependent artifacts such as off-axis scattered moonlight. We anticipate that our new coadds will have a broad range of applications, including target selection for upcoming spectroscopic cosmology surveys, identification of distant/massive galaxy clusters, and discovery of high-redshift quasars. In particular, our full-depth AllWISE+NEOWISER coadds will be an important input for the Dark Energy Spectroscopic Instrument selection of luminous red galaxy and quasar targets. Our full-depth W1/W2 coadds are already in use within the DECam Legacy Survey (DECaLS) and Mayall z-band Legacy Survey (MzLS) reduction pipelines. Much more work still remains in order to fully leverage NEOWISER imaging for astrophysical applications beyond the solar system.
C1 [Meisner, Aaron M.] Berkeley Ctr Cosmol Phys, Berkeley, CA 94720 USA.
[Meisner, Aaron M.; Schlegel, David J.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Lang, Dustin] Univ Toronto, Dept Astron & Astrophys, Toronto, ON M5S 3H4, Canada.
[Lang, Dustin] Univ Toronto, Dunlap Inst, Toronto, ON M5S 3H4, Canada.
[Lang, Dustin] Univ Waterloo, Dept Phys & Astron, 200 Univ Ave West, Waterloo, ON N2L 3G1, Canada.
RP Meisner, AM (reprint author), Berkeley Ctr Cosmol Phys, Berkeley, CA 94720 USA.; Meisner, AM (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
FU National Aeronautics and Space Administration; Planetary Science
Division of the National Aeronautics and Space Administration
FX This research makes use of data products from the Wide-field Infrared
Survey Explorer, which is a joint project of the University of
California, Los Angeles, and the Jet Propulsion Laboratory/California
Institute of Technology, funded by the National Aeronautics and Space
Administration. This research also makes use of data products from
NEOWISE, which is a project of the Jet Propulsion Laboratory/California
Institute of Technology, funded by the Planetary Science Division of the
National Aeronautics and Space Administration.
NR 15
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0004-6256
EI 1538-3881
J9 ASTRON J
JI Astron. J.
PD JAN
PY 2017
VL 153
IS 1
AR 38
DI 10.3847/1538-3881/153/1/38
PG 10
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA EH7RP
UT WOS:000391970500001
ER
PT J
AU Goldstein, DA
Nugent, PE
AF Goldstein, Daniel A.
Nugent, Peter E.
TI HOW TO FIND GRAVITATIONALLY LENSED TYPE Ia SUPERNOVAE
SO ASTROPHYSICAL JOURNAL LETTERS
LA English
DT Article
DE methods: observational; supernovae: general; surveys
ID DIGITAL SKY SURVEY; HIGHLY MAGNIFIED SUPERNOVA; EARLY-TYPE GALAXIES;
TIME DELAYS; HUBBLE CONSTANT; EXTERNAL SHEAR; COSMOGRAIL; SAMPLE;
POPULATIONS; QUASARS
AB Type Ia supernovae (SNe Ia) that are multiply imaged by gravitational lensing can extend the SN Ia Hubble diagram to very high redshifts (z greater than or similar to 2), probe potential SN Ia evolution, and deliver high-precision constraints on H-0, , w and Omega(m) via time delays. However, only one, iPTF16geu, has been found to date, and many more are needed to achieve these goals. To increase the multiply imaged SN Ia discovery rate, we present a simple algorithm for identifying gravitationally lensed SN Ia candidates in cadenced, wide-field optical imaging surveys. The technique is to look for supernovae that appear to be hosted by elliptical galaxies, but that have absolute magnitudes implied by the apparent hosts' photometric redshifts that are far brighter than the absolute magnitudes of normal SNe Ia (the brightest type of supernovae found in elliptical galaxies). Importantly, this purely photometric method does not require the ability to resolve the lensed images for discovery. Active galactic nuclei, the primary sources of contamination that affect the method, can be controlled using catalog cross-matches and color cuts. Highly magnified core-collapse SNe will also be discovered as a byproduct of the method. Using a Monte Carlo simulation, we forecast that the Large Synoptic Survey Telescope can discover up to 500 multiply imaged SNe Ia using this technique in a 10 year z-band search, more than an order of magnitude improvement over previous estimates. We also predict that the Zwicky Transient Facility should find up to 10 multiply imaged SNe Ia using this technique in a 3 year R-band search-despite the fact that this survey will not resolve a single system.
C1 [Goldstein, Daniel A.; Nugent, Peter E.] Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA.
[Goldstein, Daniel A.; Nugent, Peter E.] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,MS 50B-4206, Berkeley, CA 94720 USA.
RP Goldstein, DA (reprint author), Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA.; Goldstein, DA (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,MS 50B-4206, Berkeley, CA 94720 USA.
OI Goldstein, Daniel/0000-0003-3461-8661
FU DOE [DE-AC02-05CH11231]; Office of Science of the U.S. Department of
Energy [DE-AC02-05CH11231]
FX P.E.N. thanks the Berkeley Astronomy Department for asking him to give a
last-minute Departmental Lunch Talk on iPTF16geu, where he first
proposed the main idea behind this Letter. The authors thank Ariel
Goobar, Joshua Bloom, Jessica Lu, and Peter Behroozi for useful
discussions, and they acknowledge support from the DOE under grant
DE-AC02-05CH11231, Analytical Modeling for Extreme-Scale Computing
Environments. This research used resources of the National Energy
Research Scientific Computing Center, a DOE Office of Science User
Facility supported by the Office of Science of the U.S. Department of
Energy under Contract No. DE-AC02-05CH11231.
NR 44
TC 1
Z9 1
U1 1
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 2041-8205
EI 2041-8213
J9 ASTROPHYS J LETT
JI Astrophys. J. Lett.
PD JAN 1
PY 2017
VL 834
IS 1
AR L5
DI 10.3847/2041-8213/834/1/L5
PG 7
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA EH7XN
UT WOS:000391986000001
ER
PT J
AU Sehaqui, H
Kulasinski, K
Pfenninger, N
Zimmermann, T
Tingaut, P
AF Sehaqui, H.
Kulasinski, K.
Pfenninger, N.
Zimmermann, T.
Tingaut, P.
TI Highly Carboxylated Cellulose Nanofibers via Succinic Anhydride
Esterification of Wheat Fibers and Facile Mechanical Disintegration
SO BIOMACROMOLECULES
LA English
DT Article
ID TEMPO-MEDIATED OXIDATION; NANOFIBRILLATED CELLULOSE; NATIVE CELLULOSE;
ADSORPTION; WATER; MICROFIBRILS; NANOPAPER; NANOCELLULOSES; TRANSPARENT;
ENHANCEMENT
AB We report herein the preparation of 4-6 nm wide carboxyl-functionalized cellulose nanofibers (CNF) via the esterification of wheat fibers with cyclic anhydrides (maleic, phtalic, and succinic) followed by an energy-efficient mechanical disintegration process. Remarkable results were achieved via succinic anhydride esterification that enabled CNF isolation by a single pass through the microfluidizer yielding a transparent and thick gel. These CNF carry the highest content of carboxyl groups ever reported for native cellulose nanofibers (3.8 mmol g(-1)). Compared to conventional carboxylated cellulose nanofibers prepared via Tempo-mediated oxidation of wheat fibers, the present esterified CNF display a higher molar-mass and a better thermal stability. Moreover, highly carboxylated CNF from succinic anhydride esterification were effectively integrated into paper filters for the removal of lead from aqueous solution and are potentially of interest as carrier of active molecules or as transparent films for packaging, biomedical or electronic applications.
C1 [Sehaqui, H.; Zimmermann, T.; Tingaut, P.] Empa, Swiss Fed Labs Mat Sci & Technol, Appl Wood Mat Lab, Uberlandstr 129, CH-8600 Dubendorf, Switzerland.
[Kulasinski, K.] Lawrence Berkeley Natl Lab, Dept Geochem, Berkeley, CA 94720 USA.
[Pfenninger, N.] Eawag, Uberlandstr 133, CH-8600 Dubendorf, Switzerland.
RP Sehaqui, H (reprint author), Empa, Swiss Fed Labs Mat Sci & Technol, Appl Wood Mat Lab, Uberlandstr 129, CH-8600 Dubendorf, Switzerland.
EM houssine.sehaqui@empa.ch
OI Kulasinski, Karol/0000-0002-7704-7048
FU European project NanoSelect, FP7 Collaborative project [280519]
FX Anja Huch, Esther Strub, Beatrice Fischer, Benjamin Michen, and Arndt
Remhof are thanked for their support for TEM, DPv, TGA,
zeta-potential, and XRD analyses, respectively. This work was supported
by the European project NanoSelect, FP7 Collaborative project, Grant
Agreement 280519.
NR 46
TC 0
Z9 0
U1 14
U2 14
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1525-7797
EI 1526-4602
J9 BIOMACROMOLECULES
JI Biomacromolecules
PD JAN
PY 2017
VL 18
IS 1
BP 242
EP 248
DI 10.1021/acs.biomac.6b01548
PG 7
WC Biochemistry & Molecular Biology; Chemistry, Organic; Polymer Science
SC Biochemistry & Molecular Biology; Chemistry; Polymer Science
GA EH4YZ
UT WOS:000391781100023
PM 27958715
ER
PT J
AU Stouffer, RJ
Eyring, V
Meehl, GA
Bony, S
Senior, C
Stevens, B
Taylor, KE
AF Stouffer, R. J.
Eyring, V.
Meehl, G. A.
Bony, S.
Senior, C.
Stevens, B.
Taylor, K. E.
TI CMIP5 SCIENTIFIC GAPS AND RECOMMENDATIONS FOR CMIP6
SO BULLETIN OF THE AMERICAN METEOROLOGICAL SOCIETY
LA English
DT Article
ID MODEL INTERCOMPARISON PROJECT; CLIMATE-CHANGE RESEARCH; CARBON-CYCLE
FEEDBACKS; EARTH SYSTEM MODELS; SATELLITE-OBSERVATIONS; SOUTHERN-OCEAN;
SIMULATIONS; SENSITIVITY; CLOUDS; DESIGN
AB The scientific gaps identified in the fifth phase of the Coupled Model Intercomparison Project (CMIP5) that guided the experiment for its next phase, CMIP6, are identified.
C1 [Stouffer, R. J.] NOAA, Geophys Fluid Dynam Lab, Princeton, NJ 08540 USA.
[Eyring, V.] Deutsch Zentrum Luft & Raumfahrt DLR, Inst Phys Atmosphare, Oberpfaffenhofen, Germany.
[Meehl, G. A.] Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA.
[Bony, S.] CNRS, Lab Meteorol Dynam, IPSL, Paris, France.
[Senior, C.] Hadley Ctr, Met Off, Exeter, Devon, England.
[Stevens, B.] Max Planck Inst Meteorol, Hamburg, Germany.
[Taylor, K. E.] Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA USA.
RP Stouffer, RJ (reprint author), NOAA, Geophys Fluid Dynam Lab, Princeton, NJ 08540 USA.
EM ronald.stouffer@noaa.gov
RI Stevens, Bjorn/A-1757-2013
OI Stevens, Bjorn/0000-0003-3795-0475
FU French CNRS; German Ministry of Education and Research (BMBF); Max
Planck Society; Regional and Global Climate Modeling Program (RGCM) of
the U.S. Department of Energy's Biological and Environmental Research
(BER) program [DE-FC02-97ER62402, DE-AC52-07NA27344]; UK DECC/DEFRA Met
Office Hadley Centre Programme [GA01101]; CNRS; UPMC; Labex L-IPSL
[ANR-10-LABX-0018]
FX We acknowledge the World Climate Research Programme's (WCRP's) Working
Group on Coupled Modelling (WGCM), which is responsible for CMIP, and we
thank the climate modeling groups for producing and making available
their model output. For CMIP the U.S. Department of Energy's Program for
Climate Model Diagnosis and Intercomparison provides coordinating
support and led development of software infrastructure in partnership
with the Global Organization for Earth System Science Portals. National
funding through the French CNRS, the German Ministry of Education and
Research (BMBF), and the Max Planck Society has also made important
infrastructural contributions to the success of CMIP. Portions of this
study were supported by the Regional and Global Climate Modeling Program
(RGCM) of the U.S. Department of Energy's Biological and Environmental
Research (BER) program through Cooperative Agreement DE-FC02-97ER62402
to NCAR and under Contract DE-AC52-07NA27344 at LLNL), UK DECC/DEFRA Met
Office Hadley Centre Programme (Grant GA01101) and CNRS, UPMC and Labex
L-IPSL (Grant ANR-10-LABX-0018).
NR 71
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U1 10
U2 10
PU AMER METEOROLOGICAL SOC
PI BOSTON
PA 45 BEACON ST, BOSTON, MA 02108-3693 USA
SN 0003-0007
EI 1520-0477
J9 B AM METEOROL SOC
JI Bull. Amer. Meteorol. Soc.
PD JAN
PY 2017
VL 98
IS 1
BP 95
EP +
DI 10.1175/BAMS-D-15-00013.1
PG 12
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA EH6UW
UT WOS:000391910400014
ER
PT J
AU Darawsheh, MD
Barrios, LA
Roubeau, O
Teat, SJ
Aromi, G
AF Darawsheh, M. D.
Barrios, L. A.
Roubeau, O.
Teat, S. J.
Aromi, G.
TI Guest-tuned spin crossover in flexible supramolecular assemblies
templated by a halide (Cl-, Br- or I-)
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID COORDINATION CHEMISTRY; MOLECULAR MACHINES; COMPLEXES; LIGHT
AB Ligand 1,3-bis(3-(pyridin-2-yl)-1H-pyrazol-5-yl) benzene, L, forms mononuclear spin crossover complexes [FeL3](2+) with pendant arms that cause them to dimerize through numerous intermolecular interactions forming supramolecular (X@[FeL3](3+) cations. They have the flexibility to encapsulate Cl-, Br- or I-), which allow tuning the magnetic properties, in the solid state and in solution.
C1 [Darawsheh, M. D.; Barrios, L. A.; Aromi, G.] Univ Barcelona, Dept Quim Inorgan, Diagonal 645, E-08028 Barcelona, Spain.
[Darawsheh, M. D.; Barrios, L. A.; Aromi, G.] Univ Barcelona, IN2UB, Diagonal 645, E-08028 Barcelona, Spain.
[Roubeau, O.] CSIC, ICMA, Plaza San Francisco S-N, E-50009 Zaragoza, Spain.
[Roubeau, O.] Univ Zaragoza, Plaza San Francisco S-N, E-50009 Zaragoza, Spain.
[Teat, S. J.] Berkeley Lab, Adv Light Source, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
RP Aromi, G (reprint author), Univ Barcelona, Dept Quim Inorgan, Diagonal 645, E-08028 Barcelona, Spain.; Aromi, G (reprint author), Univ Barcelona, IN2UB, Diagonal 645, E-08028 Barcelona, Spain.
RI Roubeau, Olivier/A-6839-2010; BARRIOS MORENO, LEONI
ALEJANDRA/E-5413-2017; Aromi, Guillem/I-2483-2015
OI Roubeau, Olivier/0000-0003-2095-5843; BARRIOS MORENO, LEONI
ALEJANDRA/0000-0001-7075-9950; Aromi, Guillem/0000-0002-0997-9484
FU ERC [258060]; Spanish MINECO [CTQ2012-32247, CTQ2015-68370-P,
MAT2014-53961-R]; Avempace II Erasmus Mundus Action 2 program; Office of
Science, Office of Basic Energy Sciences of the U. S. Department of
Energy [DE-AC02-05CH11231]
FX GA thanks the Generalitat de Catalunya for the prize ICREA Academia 2008
and 2013 and the ERC for a Starting Grant (258060 FuncMolQIP). The
authors thank the Spanish MINECO for funding through CTQ2012-32247,
CTQ2015-68370-P (GA, LAB, MD) and MAT2014-53961-R (OR). MD thanks
Avempace II Erasmus Mundus Action 2 program for a PhD scholarship. The
Advanced Light Source is supported by the Director, Office of Science,
Office of Basic Energy Sciences of the U. S. Department of Energy under
contract no. DE-AC02-05CH11231.
NR 27
TC 0
Z9 0
U1 19
U2 19
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
EI 1364-548X
J9 CHEM COMMUN
JI Chem. Commun.
PY 2017
VL 53
IS 3
BP 569
EP 572
DI 10.1039/c6cc08906b
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA EH7LH
UT WOS:000391954000018
PM 27975092
ER
PT J
AU Zheng, HY
Wang, LJ
Li, K
Yang, YY
Wang, YJ
Wu, JJ
Dong, X
Wang, CH
Tulk, CA
Molaison, JJ
Ivanov, IN
Feygenson, M
Yang, WG
Guthrie, M
Zhao, YS
Mao, HK
Jin, CQ
AF Zheng, Haiyan
Wang, Lijuan
Li, Kuo
Yang, Youyou
Wang, Yajie
Wu, Jiajia
Dong, Xiao
Wang, Chun-Hai
Tulk, Christopher A.
Molaison, Jamie J.
Ivanov, Ilia N.
Feygenson, Mikhail
Yang, Wenge
Guthrie, Malcolm
Zhao, Yusheng
Mao, Ho-Kwang
Jin, Changqing
TI Pressure induced polymerization of acetylide anions in CaC2 and 10(7)
fold enhancement of electrical conductivity
SO CHEMICAL SCIENCE
LA English
DT Article
ID CALCIUM CARBIDE; CRYSTAL-STRUCTURE
AB Transformation between different types of carbon-carbon bonding in carbides often results in a dramatic change of physical and chemical properties. Under external pressure, unsaturated carbon atoms form new covalent bonds regardless of the electrostatic repulsion. It was predicted that calcium acetylide (also known as calcium carbide, CaC2) polymerizes to form calcium polyacetylide, calcium polyacenide and calcium graphenide under high pressure. In this work, the phase transitions of CaC2 under external pressure were systematically investigated, and the amorphous phase was studied in detail for the first time. Polycarbide anions like C-6(6-) are identified with gas chromatography-mass spectrometry and several other techniques, which evidences the pressure induced polymerization of the acetylide anions and suggests the existence of the polyacenide fragment. Additionally, the process of polymerization is accompanied with a 10(7) fold enhancement of the electrical conductivity. The polymerization of acetylide anions demonstrates that high pressure compression is a viable route to synthesize novel metal polycarbides and materials with extended carbon networks, while shedding light on the synthesis of more complicated metal organics.
C1 [Zheng, Haiyan; Wang, Lijuan; Li, Kuo; Wang, Yajie; Dong, Xiao; Yang, Wenge; Mao, Ho-Kwang] Ctr High Pressure Sci & Technol Adv Res HPSTAR, POB 8009, Beijing 100088, Peoples R China.
[Li, Kuo; Yang, Wenge; Guthrie, Malcolm; Mao, Ho-Kwang] Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA.
[Yang, Youyou; Wang, Chun-Hai] COFCO Nutr & Hlth Res Inst, Beijing Key Lab Nutr Hlth & Food Safety, Beijing 100209, Peoples R China.
[Wu, Jiajia] Agilent Technol China Co Ltd, Wangjingbei Rd, Beijing 100102, Peoples R China.
[Wang, Chun-Hai] Univ Durham, Dept Chem, South Rd, Durham DH1 3LE, England.
[Tulk, Christopher A.; Molaison, Jamie J.; Feygenson, Mikhail] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37830 USA.
[Ivanov, Ilia N.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Yang, Wenge] Carnegie Inst Sci, Geophys Lab, HPSynC, Argonne, IL 60439 USA.
[Zhao, Yusheng] Southern Univ Sci & Technol, Dept Phys, Shenzhen, Peoples R China.
[Jin, Changqing] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China.
[Jin, Changqing] Collaborat Innovat Ctr Quantum Matter, Beijing, Peoples R China.
[Guthrie, Malcolm] European Spallat Source ERIC, Lund, Sweden.
RP Li, K (reprint author), Ctr High Pressure Sci & Technol Adv Res HPSTAR, POB 8009, Beijing 100088, Peoples R China.; Li, K (reprint author), Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA.
EM likuo@hpstar.ac.cn
RI Dong, Xiao/D-3984-2017;
OI Dong, Xiao/0000-0003-4533-1914; ivanov, ilia/0000-0002-6726-2502;
Feygenson, Mikhail /0000-0002-0316-3265
FU NSAF [U1530402]; NSFC [21501162]; Energy Frontier Research in Extreme
Environment Center (Efree), an Energy Frontier Research Center - U.S.
Department of Energy, Office of Science, Basic Energy Sciences
[DE-SC0001057]; DOE-NNSA [DE-NA0001974]; DOE-BES [DE-FG02-99ER45775,
DE-AC02-06CH11357]; NSF; Scientific User Facilities Division, Office of
Basic Energy Sciences, U.S. Department of Energy; NSF MOST; Special
Program for Applied Research on Super Computation of NSFC-Guangdong
Joint Fund
FX The authors acknowledge the support of NSAF (Grant No. U1530402) and
NSFC (Grant No. 21501162). This work was supported as part of the Energy
Frontier Research in Extreme Environment Center (Efree), an Energy
Frontier Research Center funded by the U.S. Department of Energy, Office
of Science, Basic Energy Sciences under Award DE-SC0001057. A portion of
this research was performed at HPCAT (Sector 16), Advanced Photon Source
(APS), Argonne National Laboratory. HPCAT (Geophysical Lab) operations
are supported by DOE-NNSA under Award No. DE-NA0001974 and DOE-BES under
Award No. DE-FG02-99ER45775, with partial instrumentation funding by
NSF. APS is supported by DOE-BES, under Contract No. DE-AC02-06CH11357.
A portion of this research was conducted at the Center for Nanophase
Materials Sciences and Spallation Neutron Source, which are sponsored at
Oak Ridge National Laboratory by the Scientific User Facilities
Division, Office of Basic Energy Sciences, U.S. Department of Energy.
The authors thank Dr Antonio F. Moreira dos Santos for the help in the
neutron diffraction experiment, Dr Hongping Yan for the help in the in
situ XRD experiment and Dr George Cody for valuable discussion. SNAP
pressure cells were used to synthesize many of the in situ and ex situ
samples used in this study. Work at IOPCAS was supported by NSF & MOST
through research projects. The authors thank Agilent Technologies
(China), Inc. for assistance in the GC-MS experiment. The metadynamic
calculations were performed at Tianhe II in Guangzhou which is supported
by Special Program for Applied Research on Super Computation of the
NSFC-Guangdong Joint Fund (the second phase).
NR 17
TC 0
Z9 0
U1 13
U2 13
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2041-6520
EI 2041-6539
J9 CHEM SCI
JI Chem. Sci.
PY 2017
VL 8
IS 1
BP 298
EP 304
DI 10.1039/c6sc02830f
PG 7
WC Chemistry, Multidisciplinary
SC Chemistry
GA EH0LC
UT WOS:000391454500033
ER
PT J
AU Zhang, WK
Kjaer, KS
Alonso-Mori, R
Bergmann, U
Chollet, M
Fredin, LA
Hadt, RG
Hartsock, RW
Harlang, T
Kroll, T
Kubicek, K
Lemke, HT
Liang, HW
Liu, YZ
Nielsen, MM
Persson, P
Robinson, JS
Solomon, EI
Sun, Z
Sokaras, D
van Driel, TB
Weng, TC
Zhu, DL
Warnmark, K
Sundstromb, V
Gaffney, KJ
AF Zhang, Wenkai
Kjaer, Kasper S.
Alonso-Mori, Roberto
Bergmann, Uwe
Chollet, Matthieu
Fredin, Lisa A.
Hadt, Ryan G.
Hartsock, Robert W.
Harlang, Tobias
Kroll, Thomas
Kubicek, Katharina
Lemke, Henrik T.
Liang, Huiyang W.
Liu, Yizhu
Nielsen, Martin M.
Persson, Petter
Robinson, Joseph S.
Solomon, Edward I.
Sun, Zheng
Sokaras, Dimosthenis
van Driel, Tim B.
Weng, Tsu-Chien
Zhu, Diling
Warnmark, Kenneth
Sundstromb, Villy
Gaffney, Kelly J.
TI Manipulating charge transfer excited state relaxation and spin crossover
in iron coordination complexes with ligand substitution
SO CHEMICAL SCIENCE
LA English
DT Article
ID X-RAY-EMISSION; TRANSITION-METAL-COMPLEXES; ABSORPTION SPECTROSCOPY;
STRUCTURAL DYNAMICS; LIGHT; TIO2; RESOLUTION; PHOTOSENSITIZATION;
RUTHENIUM(II); PERSPECTIVE
AB Developing light-harvesting and photocatalytic molecules made with iron could provide a cost effective, scalable, and environmentally benign path for solar energy conversion. To date these developments have been limited by the sub-picosecond metal-to-ligand charge transfer (MLCT) electronic excited state lifetime of iron based complexes due to spin crossover - the extremely fast intersystem crossing and internal conversion to high spin metal-centered excited states. We revitalize a 30 year old synthetic strategy for extending the MLCT excited state lifetimes of iron complexes by making mixed ligand iron complexes with four cyanide (CN-) ligands and one 2,2'-bipyridine (bpy) ligand. This enables MLCT excited state and metal-centered excited state energies to be manipulated with partial independence and provides a path to suppressing spin crossover. We have combined X-ray Free-Electron Laser (XFEL) K beta hard X-ray fluorescence spectroscopy with femtosecond time-resolved UV-visible absorption spectroscopy to characterize the electronic excited state dynamics initiated by MLCT excitation of [Fe(CN)(4)(bpy)](2-). The two experimental techniques are highly complementary; the time-resolved UV-visible measurement probes allowed electronic transitions between valence states making it sensitive to ligand-centered electronic states such as MLCT states, whereas the Kb fluorescence spectroscopy provides a sensitive measure of changes in the Fe spin state characteristic of metal-centered excited states. We conclude that the MLCT excited state of [Fe(CN)(4)(bpy)](2-) decays with roughly a 20 ps lifetime without undergoing spin crossover, exceeding the MLCT excited state lifetime of [Fe(2,2'-bipyridine)(3)](2+) by more than two orders of magnitude.
C1 [Zhang, Wenkai; Kjaer, Kasper S.; Bergmann, Uwe; Hartsock, Robert W.; Liang, Huiyang W.; Sun, Zheng; Gaffney, Kelly J.] Stanford Univ, SLAC Natl Accelerator Lab, PULSE Inst, Menlo Pk, CA 94025 USA.
[Kjaer, Kasper S.; Harlang, Tobias; Liu, Yizhu; Sundstromb, Villy] Lund Univ, Dept Chem Phys, POB 12 4, S-22100 Lund, Sweden.
[Kjaer, Kasper S.; Fredin, Lisa A.; Nielsen, Martin M.; van Driel, Tim B.] Tech Univ Denmark, Dept Phys, Ctr Mol Movies, DK-2800 Lyngby, Denmark.
[Alonso-Mori, Roberto; Bergmann, Uwe; Chollet, Matthieu; Kroll, Thomas; Lemke, Henrik T.; Liang, Huiyang W.; Robinson, Joseph S.; Solomon, Edward I.; Zhu, Diling] SLAC Natl Accelerator Lab, LCLS, Menlo Pk, CA 94025 USA.
[Persson, Petter] Lund Univ, Theoret Chem Div, POB 124, S-22100 Lund, Sweden.
[Hadt, Ryan G.; Hartsock, Robert W.; Kroll, Thomas; Solomon, Edward I.] Stanford Univ, Dept Chem, Stanford, CA 94305 USA.
[Kubicek, Katharina] Max Planck Inst Biophys Chem, D-37077 Gottingen, Germany.
[Sokaras, Dimosthenis; Weng, Tsu-Chien] SLAC Natl Accelerator Lab, SSRL, Menlo Pk, CA 94025 USA.
[Warnmark, Kenneth] Lund Univ, Dept Chem, Ctr Anal & Synth, POB 124, S-22100 Lund, Sweden.
RP Kjaer, KS; Gaffney, KJ (reprint author), Stanford Univ, SLAC Natl Accelerator Lab, PULSE Inst, Menlo Pk, CA 94025 USA.; Kjaer, KS (reprint author), Lund Univ, Dept Chem Phys, POB 12 4, S-22100 Lund, Sweden.; Kjaer, KS (reprint author), Tech Univ Denmark, Dept Phys, Ctr Mol Movies, DK-2800 Lyngby, Denmark.
EM kaspersk@gmail.com; kgaffney@slac.stanford.edu
RI Kroll, Thomas/D-3636-2009; Nielsen, Martin/A-5133-2009; Lemke, Henrik
Till/N-7419-2016
OI Nielsen, Martin/0000-0002-8135-434X; Lemke, Henrik
Till/0000-0003-1577-8643
FU AMOS program within the Chemical Sciences, Geosciences, and Biosciences
Division of the Office of Basic Energy Sciences, Office of Science, U.
S. Department of Energy; NSF [CHE-0948211]; German Research Foundation
(DFG) [KR3611/2-1]; Danish National Research Foundation; DAN-SCATT;
Carlsberg Foundation; Danish Council for Independent Research; Crafoord
Foundation; Swedish Research Council (VR); Knut and Alice Wallenberg
(KAW) Foundation; European Research Council (ERC) [226136-VISCHEM];
Swedish Energy Agency; Volkswagen Foundation under Peter Paul Ewald
fellowship program [Az.: I/85832]; Swedish National Supercomputing
Centre; Lund University Intensive Computation Application Research
Center supercomputing facilities
FX Experiments were carried out at LCLS and SSRL, National User Facilities
operated for DOE, OBES by Stanford University. WZ, RWH, HWL, ZS, and KJG
acknowledge support from the AMOS program within the Chemical Sciences,
Geosciences, and Biosciences Division of the Office of Basic Energy
Sciences, Office of Science, U. S. Department of Energy. EIS
acknowledges support from the NSF CHE-0948211. RGH acknowledges a
Gerhard Casper Stanford Graduate Fellowship and the Achievements Rewards
for College Scientists (ARCS) Foundation. TK acknowledges the German
Research Foundation (DFG), grant KR3611/2-1. KSK, MMN, and TBvD
acknowledge support from the Danish National Research Foundation and
from DAN-SCATT. KSK gratefully acknowledge the support of the Carlsberg
Foundation and the Danish Council for Independent Research. YL, TH, KW,
LF, PP, and VS acknowledge support from the Crafoord Foundation, the
Swedish Research Council (VR), the Knut and Alice Wallenberg (KAW)
Foundation, the European Research Council (ERC, 226136-VISCHEM) and the
Swedish Energy Agency. KK thanks the Volkswagen Foundation for support
under the Peter Paul Ewald fellowship program (Az.: I/85832). PP
acknowledges support from the Swedish National Supercomputing Centre and
the Lund University Intensive Computation Application Research Center
supercomputing facilities.
NR 57
TC 2
Z9 2
U1 38
U2 38
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2041-6520
EI 2041-6539
J9 CHEM SCI
JI Chem. Sci.
PY 2017
VL 8
IS 1
BP 515
EP 523
DI 10.1039/c6sc03070j
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA EH0LC
UT WOS:000391454500060
ER
PT J
AU Sciortino, NF
Zenere, KA
Corrigan, ME
Halder, GJ
Chastanet, G
Letard, JF
Kepert, CJ
Neville, SM
AF Sciortino, Natasha F.
Zenere, Katrina A.
Corrigan, Maggie E.
Halder, Gregory J.
Chastanet, Guillaume
Letard, Jean-Francois
Kepert, Cameron J.
Neville, Suzanne M.
TI Four-step iron(II) spin state cascade driven by antagonistic solid state
interactions
SO CHEMICAL SCIENCE
LA English
DT Article
ID COORDINATION-COMPOUNDS; CROSSOVER MATERIALS; INTERMEDIATE PHASE; 2-STEP;
TRANSITION; COMPOUND; COMPLEX; FRAMEWORK; BISTABILITY; CONVERSION
AB A four-stepped cascade of Fe(II) high spin (HS) to low spin (LS) states is demonstrated in a family of 2-D Hofmann materials, [Fe-3(II)(saltrz)(6)(M-II(CN)(4))(3)].8(H2O) (M-II = Pd(1(Pd)), Pt(1(Pt)); saltrz = (E)-2-(((4H-1,2,4-triazol- 4-yl) imino) methyl) phenol). Alongside the fully HS and LS Fe(II) states, fractional spin state stabilization occurs at HS/LS values of 5/6, 2/3, and 1/6. This unconventional spin state periodicity is driven by the presence of multiple spin crossover (SCO) active Fe(II) sites which are in subtly distinct environments driven by a network of antagonistic host-host and host-guest interactions. Alternating long-and short-range magnetostructural ordering is achieved over the five distinct spin state ratios (HSLS0.0)-L-1.0, (HSLS0.167)-L-0.833, (HSLS0.333)-L-0.667, (HSLS0.833)-L-0.167, and (HSLS1.0)-L-0.0 owing to the flexibility of this 2-D interdigitated lattice topology interconnected by intermolecular interactions. A distinct wave-like spin state patterning is structurally evidenced for each intermediate phase.
C1 [Sciortino, Natasha F.; Zenere, Katrina A.; Corrigan, Maggie E.; Kepert, Cameron J.; Neville, Suzanne M.] Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia.
[Halder, Gregory J.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA.
[Chastanet, Guillaume; Letard, Jean-Francois] Univ Bordeaux, ICMCB, CNRS, UPR 9048, F-33600 Pessac, France.
RP Kepert, CJ; Neville, SM (reprint author), Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia.
EM suzanne.neville@sydney.edu.au
OI Kepert, Cameron/0000-0002-6105-9706
FU Australian Research Council; USA Department of Energy, Office of
Science, Office of Basic Energy Sciences [DE-AC02-06CH11357];
International Synchrotron Access Program (ISAP); Australian Government
FX CJK and SMN acknowledge support from Fellowships and Discovery Project
funding from the Australian Research Council. GC and JFL thank the
Aquitaine Region for supporting the development of the international
platform of photomagnetism. Access and use of the facilities of the
Advanced Photon Source (APS) was supported by the USA Department of
Energy, Office of Science, Office of Basic Energy Sciences (Contract No.
DE-AC02-06CH11357). Travel to the APS was funded by the International
Synchrotron Access Program (ISAP) managed by the Australian Synchrotron
and funded by the Australian Government.
NR 33
TC 3
Z9 3
U1 9
U2 9
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2041-6520
EI 2041-6539
J9 CHEM SCI
JI Chem. Sci.
PY 2017
VL 8
IS 1
BP 701
EP 707
DI 10.1039/c6sc03114e
PG 7
WC Chemistry, Multidisciplinary
SC Chemistry
GA EH0LC
UT WOS:000391454500087
ER
PT J
AU Palipane, E
Lu, J
Staten, P
Chen, G
Schneider, EK
AF Palipane, Erool
Lu, Jian
Staten, Paul
Chen, Gang
Schneider, Edwin K.
TI Investigating the zonal wind response to SST warming using transient
ensemble AGCM experiments
SO CLIMATE DYNAMICS
LA English
DT Article
DE Greenhouse warming; Finite amplitude wave activity; Wave reflection;
Phase speed; Effective diffusivity
ID MIDLATITUDE JET VARIABILITY; GENERAL-CIRCULATION MODELS; MEAN FLOW
INTERACTION; CLIMATE-CHANGE; ATMOSPHERIC CIRCULATION; SURFACE
WESTERLIES; SENSITIVITY; PARAMETERIZATION; DIFFUSIVITY; INSTABILITY
AB The response of the atmospheric circulation to greenhouse gas-induced SST warming is investigated using large ensemble experiments with two AGCMs, with a focus on the robust feature of the poleward shift of the eddy driven jet. In these experiments, large ensembles of simulations are conducted by abruptly switching the SST forcing on from January 1st to focus on the wintertime circulation adjustment. A hybrid, finite amplitude wave activity budget analysis is performed to elucidate the nonlinear and irreversible aspects of the eddy-mean flow interaction during the adjustment of the zonal wind towards a poleward shifted state. The results confirm the results from earlier more idealized studies, particularly the importance of reduced dissipation of wave activity, in which the midlatitude decrease of effective diffusivity appears to be dominant. This reduction in dissipation increases the survival of midlatitude waves. These surviving waves, when reaching the upper propagation level in the upper troposphere, are subject to the influence of the increase of reflection phase speed at the poleward side of the mean jet, and thus more waves are reflected equatorward across the jet, giving rise to a poleward transport of momentum and thus an eddy momentum flux convergence for the poleward shift. The relative importance of wave breaking-induced PV mixing versus diabatic PV source in the evolution of the Lagrangian PV gradient is also investigated. The former plays the dominant role in the PV gradient formation during the initial phase of the jet shift, while the latter actually opposes the evolution of the Lagrangian PV gradient at times.
C1 [Palipane, Erool] George Mason Univ, Dept Atmospher Ocean & Earth Sci, Fairfax, VA 22030 USA.
[Lu, Jian] Pacific Northwest Natl Lab, Richland, WA 99352 USA.
[Staten, Paul] Indiana Univ, Dept Geol Sci, Bloomington, IN 47405 USA.
[Chen, Gang] Cornell Univ, Dept Atmospher & Earth Sci, Ithaca, NY USA.
[Schneider, Edwin K.] Inst Global Environm & Soc, Ctr Ocean Land Atmosphere Studies, Fairfax, VA USA.
RP Lu, J (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA.
EM jian.lu@pnnl.gov
FU NSF [AGS-1064045, ATM-1064079]; Office of Science of the U.S. Department
of Energy as part of the Regional and Global Climate Modeling Program;
DOE [DE-FOA-0001036]
FX E.P. and E.K.S. are supported by NSF Grant AGS-1064045. J.L. is also
partly supported by the Office of Science of the U.S. Department of
Energy as part of the Regional and Global Climate Modeling Program. G.C.
is supported by NSF Grant ATM-1064079 and DOE Grant DE-FOA-0001036.
NR 52
TC 0
Z9 0
U1 2
U2 2
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0930-7575
EI 1432-0894
J9 CLIM DYNAM
JI Clim. Dyn.
PD JAN
PY 2017
VL 48
IS 1-2
BP 523
EP 540
DI 10.1007/s00382-016-3092-9
PG 18
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA EI2HK
UT WOS:000392307300030
ER
PT J
AU Habib, S
Morozov, V
Frontiere, N
Finkel, H
Pope, A
Heitmann, K
Kumaran, K
Vishwanath, V
Peterka, T
Insley, J
Daniel, D
Fasel, P
Lukic, Z
AF Habib, Salman
Morozov, Vitali
Frontiere, Nicholas
Finkel, Hal
Pope, Adrian
Heitmann, Katrin
Kumaran, Kalyan
Vishwanath, Venkatram
Peterka, Tom
Insley, Joe
Daniel, David
Fasel, Patricia
Lukic, Zarija
TI HACC: Extreme Scaling and Performance Across Diverse Architectures
SO COMMUNICATIONS OF THE ACM
LA English
DT Article
ID COSMOLOGICAL SIMULATIONS; CODE; HYDRODYNAMICS; UNIVERSE; MATTER; POWER
AB Supercomputing is evolving toward hybrid and accelerator-based architectures with millions of cores. The Hardware/Hybrid Accelerated Cosmology Code (HACC) framework exploits this diverse landscape at the largest scales of problem size, obtaining high scalability and sustained performance. Developed to satisfy the science requirements of cosmological surveys, HACC melds particle and grid methods using a novel algorithmic structure that flexibly maps across architectures, including CPU/GPU, multi/many-core, and Blue Gene systems. In this Research Highlight, we demonstrate the success of HACC on two very different machines, the CPU/GPU system Titan and the BG/Q systems Sequoia and Mira, attaining very high levels of scalable performance. We demonstrate strong and weak scaling on Titan, obtaining up to 99.2% parallel efficiency, evolving 1.1 trillion particles. On Sequoia, we reach 13.94 PFlops (69.2% of peak) and 90% parallel efficiency on 1,572,864 cores, with 3.6 trillion particles, the largest cosmological benchmark yet performed. HACC design concepts are applicable to several other supercomputer applications.
C1 [Habib, Salman; Morozov, Vitali; Frontiere, Nicholas; Finkel, Hal; Pope, Adrian; Heitmann, Katrin; Kumaran, Kalyan; Vishwanath, Venkatram; Peterka, Tom; Insley, Joe] Argonne Natl Lab, Lemont, IL 60439 USA.
[Daniel, David; Fasel, Patricia] Los Alamos Natl Lab, Los Alamos, NM USA.
[Lukic, Zarija] Lawrence Berkeley Natl Lab, Berkeley, CA USA.
RP Habib, S (reprint author), Argonne Natl Lab, Lemont, IL 60439 USA.
EM habib@anl.gov; morozov@anl.gov; nfrontiere@anl.gov; hfinkel@anl.gov;
apope@anl.gov; heitmann@anl.gov; kumaran@anl.gov; venkat@anl.gov;
tpeterka@anl.gov; insley@anl.gov; ddd@lanl.gov; pfj@lanl.gov;
zarija@lbl.gov
FU DOE/SC [DE-AC02-06CH11357, DE-AC05-00OR22725]
FX We are indebted to Bob Walkup for running HACC on a prototype BG/Q
system at IBM and to Dewey Dasher for help in arranging access. At ANL,
we thank Susan Coghlan, Paul Messina, Mike Papka, Rick Stevens, and Tim
Williams for obtaining allocations on different Blue Gene systems. At
LLNL, we are grateful to Brian Carnes, Kim Cupps, David Fox, and Michel
McCoy for providing access to Sequoia. At ORNL, we thank Bronson Messer
and Jack Wells for assistance with Titan. This research used resources
of the ALCF, which is supported by DOE/SC under contract
DE-AC02-06CH11357 and resources of the OLCF, which is supported by
DOE/SC under contract DE-AC05-00OR22725.
NR 28
TC 0
Z9 0
U1 0
U2 0
PU ASSOC COMPUTING MACHINERY
PI NEW YORK
PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA
SN 0001-0782
EI 1557-7317
J9 COMMUN ACM
JI Commun. ACM
PD JAN
PY 2017
VL 60
IS 1
BP 97
EP 104
DI 10.1145/3015569
PG 8
WC Computer Science, Hardware & Architecture; Computer Science, Software
Engineering; Computer Science, Theory & Methods
SC Computer Science
GA EH2ZX
UT WOS:000391638400023
ER
PT J
AU Eisenbach, M
AF Eisenbach, Markus
TI Large-Scale Calculations for Material Sciences Using Accelerators to
Improve Time- and Energy-to-Solution
SO COMPUTING IN SCIENCE & ENGINEERING
LA English
DT Editorial Material
C1 [Eisenbach, Markus] Oak Ridge Natl Lab, Natl Ctr Computat Sci, Oak Ridge, TN 37831 USA.
RP Eisenbach, M (reprint author), Oak Ridge Natl Lab, Natl Ctr Computat Sci, Oak Ridge, TN 37831 USA.
EM eisenbachm@ornl.gov
FU US Department of Energy, Office of Science, Basic Energy Sciences,
Material Sciences and Engineering Division; Office of Advanced
Scientific Computing Research; Office of Science of the US Department of
Energy [DE-AC05-00OR22725]
FX This work has been sponsored by the US Department of Energy, Office of
Science, Basic Energy Sciences, Material Sciences and Engineering
Division (basic theory and applications) and by the Office of Advanced
Scientific Computing Research (software optimization and performance
measurements). This research used resources of the Oak Ridge Leadership
Computing Facility, which is supported by the Office of Science of the
US Department of Energy under contract no. DE-AC05-00OR22725. I thank
Eric D. Gedenk of Oak Ridge National Laboratory for his help in editing
this article. Additional editorial assistance provided by Laura Wolf of
Argonne National Laboratory.
NR 0
TC 0
Z9 0
U1 2
U2 2
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 1521-9615
EI 1558-366X
J9 COMPUT SCI ENG
JI Comput. Sci. Eng.
PD JAN-FEB
PY 2017
VL 19
IS 1
BP 83
EP 85
PG 3
WC Computer Science, Interdisciplinary Applications
SC Computer Science
GA EH6UJ
UT WOS:000391909100012
ER
PT J
AU Maheshwari, K
Katz, D
Olabarriaga, SD
Wozniak, J
Thain, D
AF Maheshwari, Ketan
Katz, Daniel
Olabarriaga, Silvia D.
Wozniak, Justin
Thain, Douglas
TI Report on the first workshop on negative and null results in eScience
SO CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE
LA English
DT Editorial Material
C1 [Maheshwari, Ketan] Univ Pittsburgh, Ctr Simulat & Modeling, Pittsburgh, PA 15260 USA.
[Katz, Daniel] Univ Illinois, Urbana, IL USA.
[Olabarriaga, Silvia D.] Univ Amsterdam, Amsterdam, Netherlands.
[Wozniak, Justin] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Thain, Douglas] Notre Dame Univ, South Bend, IN USA.
RP Maheshwari, K (reprint author), Univ Pittsburgh, Ctr Simulat & Modeling, Pittsburgh, PA 15260 USA.
EM ketancmaheshwari@gmail.com
FU National Science Foundation
FX We are grateful to the program committee members, the panelists, and the
authors who supported the realization of this first workshop. We also
thank the reviewers of this special issue. The work by Katz was
supported in part by the National Science Foundation while working at
the Foundation. Any opinion, finding, and conclusions or recommendations
expressed in this material are those of the author(s) and do not
necessarily reflect the views of the National Science Foundation.
NR 21
TC 0
Z9 0
U1 0
U2 0
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1532-0626
EI 1532-0634
J9 CONCURR COMP-PRACT E
JI Concurr. Comput.-Pract. Exp.
PD JAN
PY 2017
VL 29
IS 2
AR UNSP e3908
DI 10.1002/cpe.3908
PG 8
WC Computer Science, Software Engineering; Computer Science, Theory &
Methods
SC Computer Science
GA EH7GI
UT WOS:000391940500010
ER
PT J
AU Mathis, SR
Golafale, ST
Bacsa, J
Steiner, A
Ingram, CW
Doty, FP
Auden, E
Hattar, K
AF Mathis, Stephan R., II
Golafale, Saki T.
Bacsa, John
Steiner, Alexander
Ingram, Conrad W.
Doty, F. Patrick
Auden, Elizabeth
Hattar, Khalid
TI Mesoporous stilbene-based lanthanide metal organic frameworks:
synthesis, photoluminescence and radioluminescence characteristics
SO DALTON TRANSACTIONS
LA English
DT Article
ID COORDINATION POLYMERS; SORPTION PROPERTIES; MAGNETIC-PROPERTIES;
COMPUTER-PROGRAM; LUMINESCENCE; PHOTOISOMERIZATION; ENTANGLEMENT;
CHROMOPHORE; ADSORPTION; COMPLEXES
AB Ultra large pore isostructural metal organic frameworks (MOFs) which exhibit both photoluminescence and scintillation properties, were synthesized from trans-4,4'-stilbenedicarboxylic acid (H2L) and trivalent lanthanide (Ln) metal salts under solvothermal conditions (Ln = Er3+ (1) and Tm3+ (2)). This new class of mesoporous materials is a non-interpenetrating network that features ultra-large diamond shaped pores of dimensions with approximate cross-sectional dimensions of 28 angstrom x 12 angstrom. The fully deprotonated ligand, L, is isolated and rigidified as it serves as the organic linker component of the MOF structure. Its low density unit cells possess asymmetric units with two crystallographically independent Ln(3+) ions in seven coordinate arrangements. A distinct feature of the structure is the bis-bidentate carboxylate groups. They serve as a ligand that coordinates two Ln(III) ions while each L connects four Ln(III) ions yielding an exceptionally large diamond-shaped rectangular network. The structure exhibits ligand-based photoluminescence with increased lifetime compared to free stilbene molecules on exposure to UV radiation, and also exhibits strong scintillation characteristics, comprising of both prompt and delayed radioluminescence features, on exposure to ionizing radiation.
C1 [Mathis, Stephan R., II; Golafale, Saki T.; Ingram, Conrad W.] Clark Atlanta Univ, Dept Chem, Ctr Funct Nanoscale Mat, Atlanta, GA 30314 USA.
[Bacsa, John] Emory Univ, Dept Chem, Atlanta, GA 30322 USA.
[Steiner, Alexander] Univ Liverpool, Dept Chem, Liverpool L69 7ZD, Merseyside, England.
[Doty, F. Patrick] Sandia Natl Labs, Livermore, CA 94550 USA.
[Auden, Elizabeth; Hattar, Khalid] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Ingram, CW (reprint author), Clark Atlanta Univ, Dept Chem, Ctr Funct Nanoscale Mat, Atlanta, GA 30314 USA.
EM cingram@cau.edu
OI Golafale, Saki/0000-0003-3215-5202
FU United States National Science Foundation [HRD-0630456, HRD-1305041];
National Nuclear Security Administration [NA0000979]; Department of
Energy [DE-FE0022952]; U.S. Department of Energy's National Nuclear
Security Administration [DE-AC04-94AL85000]
FX This work was supported by United States National Science Foundation
Grants No. HRD-0630456, HRD-1305041, and National Nuclear Security
Administration Grant No. NA0000979 and Department of Energy Grant No.
DE-FE0022952. We thank Dr Mark Allendorf and Dr John Perry IV, currently
and formerly of Sandia National Laboratories, Livermore, CA,
respectively, for their assistance on and insights into the synthesis of
MOFs. Sandia National Laboratories is a multi-mission laboratory managed
and operated by Sandia Corporation, a wholly owned subsidiary of
Lockheed Martin Corporation, for the U.S. Department of Energy's
National Nuclear Security Administration under contract
DE-AC04-94AL85000.
NR 60
TC 0
Z9 0
U1 19
U2 19
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
EI 1477-9234
J9 DALTON T
JI Dalton Trans.
PY 2017
VL 46
IS 2
BP 491
EP 500
DI 10.1039/c6dt03755k
PG 10
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA EH4FH
UT WOS:000391726400020
PM 27966707
ER
PT J
AU Buchanan, BP
Auerbach, DA
McManamay, RA
Taylor, JM
Flecker, AS
Archibald, JA
Fuka, DR
Walter, MT
AF Buchanan, Brian P.
Auerbach, Daniel A.
McManamay, Ryan A.
Taylor, Jason M.
Flecker, Alexander S.
Archibald, Josephine A.
Fuka, Daniel R.
Walter, M. Todd
TI Environmental flows in the context of unconventional natural gas
development in the Marcellus Shale
SO ECOLOGICAL APPLICATIONS
LA English
DT Article
DE Appalachia; environmental flows; fish; flow regime; hydraulic
fracturing; Marcellus Shale
ID HYDROLOGIC ALTERATION; WATER WITHDRAWALS; FISH ASSEMBLAGES; RIVER-BASIN;
STREAMS; REGIMES; DROUGHT; IMPACTS; HABITAT; RESOURCES
AB Quantitative flow-ecology relationships are needed to evaluate how water withdrawals for unconventional natural gas development may impact aquatic ecosystems. Addressing this need, we studied current patterns of hydrologic alteration in the Marcellus Shale region and related the estimated flow alteration to fish community measures. We then used these empirical flow-ecology relationships to evaluate alternative surface water withdrawals and environmental flow rules. Reduced high-flow magnitude, dampened rates of change, and increased low-flow magnitudes were apparent regionally, but changes in many of the flow metrics likely to be sensitive to withdrawals also showed substantial regional variation. Fish community measures were significantly related to flow alteration, including declines in species richness with diminished annual runoff, winter low-flow, and summer median-flow. In addition, the relative abundance of intolerant taxa decreased with reduced winter high-flow and increased flow constancy, while fluvial specialist species decreased with reduced winter and annual flows. Stream size strongly mediated both the impact of withdrawal scenarios and the protection-afforded by environmental flow standards. Under the most intense withdrawal-scenario, 75% of reference headwaters and creeks (drainage areas < 99 km(2)) experienced at least 78% reduction in summer flow, whereas little change was predicted for larger rivers. Moreover, the least intense withdrawal scenario still-reduced summer flows by at least 21% for 50% of headwaters and creeks. The observed 90th quantile flow-ecology relationships indicate that such alteration could reduce species richness by 23% or more. Seasonally varying environmental flow standards and high fixed minimum flows protected the most streams from hydrologic alteration, but common minimum flow standards left numerous locations vulnerable to substantial flow alteration. This study clarifies how additional water demands in the region may adversely affect freshwater biological integrity. The-results make clear that policies to limit or prevent water withdrawals from smaller streams can reduce the risk of ecosystem impairment.
C1 [Buchanan, Brian P.; Walter, M. Todd] Cornell Univ, Dept Biol & Environm Engn, Ithaca, NY 14853 USA.
[Auerbach, Daniel A.; Flecker, Alexander S.] Cornell Univ, Dept Ecol & Evolutionary Biol, Ithaca, NY 14853 USA.
[McManamay, Ryan A.] Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA.
[Taylor, Jason M.] USDA ARS, Water Qual & Ecol Res Unit, Natl Sedimentat Lab, Oxford, MS 38655 USA.
[Archibald, Josephine A.] Univ Washington, Dept Civil & Environm Engn, Seattle, WA 98195 USA.
[Fuka, Daniel R.] Virginia Tech, Biol Syst Engn, Blacksburg, VA 24061 USA.
RP Buchanan, BP (reprint author), Cornell Univ, Dept Biol & Environm Engn, Ithaca, NY 14853 USA.
EM bb386@cornell.edu
FU Appalachian Landscape Conservation Cooperative [2012-03]; NatureNet
Fellowship from The Nature Conservancy; Department of Energy, Energy
Efficiency and Renewable Energy Office, through Oak Ridge National
Laboratory; U.S. Department of Energy [DE-AC05-00OR22725]
FX We thank Drs. Jean Brennan, Paul Seelbach, J. R. Rigby, and two
anonymous reviewers for insightful conceptual and editorial suggestions
that strengthened the manuscript. Robert Miltner of Ohio EPA contributed
fish data to the database. M. Weltman-Fahs provided GIS support. We also
thank W. Fisher for initiating and managing the early phases of this
project. Brian Buchanan, Jason Taylor, and Todd Walter were supported by
grant# 2012-03 from the Appalachian Landscape Conservation Cooperative.
Dan Auerbach was supported by a NatureNet Fellowship from The Nature
Conservancy. Ryan McManamay was supported through a grant with the
Department of Energy, Energy Efficiency and Renewable Energy Office,
through Oak Ridge National Laboratory, managed by UT-Battelle, LLC,
under contract DE-AC05-00OR22725 with the U.S. Department of Energy. The
United States Government retains and the publisher, by accepting the
article for publication, acknowledges that the United States Government
retains a nonexclusive, paid-up, irrevocable, world-wide license to
publish or reproduce the published form of this manuscript, or allow
others to do so, for United States Government purposes. The Department
of Energy will provide public access to these results of federally
sponsored research in accordance with the DOE Public Access Plan
(http://energy.gov/downloads/doe-public-access-plan).
NR 78
TC 0
Z9 0
U1 12
U2 12
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1051-0761
EI 1939-5582
J9 ECOL APPL
JI Ecol. Appl.
PD JAN
PY 2017
VL 27
IS 1
BP 37
EP 55
DI 10.1002/eap.1425
PG 19
WC Ecology; Environmental Sciences
SC Environmental Sciences & Ecology
GA EH7XG
UT WOS:000391985300004
PM 28052494
ER
PT J
AU Bhattarai, BP
Myers, KS
Bak-Jensen, B
Paudyal, S
AF Bhattarai, Bishnu P.
Myers, Kurt S.
Bak-Jensen, Birgitte
Paudyal, Sumit
TI Multi-Time Scale Control of Demand Flexibility in Smart Distribution
Networks
SO ENERGIES
LA English
DT Article
DE congestion management; demand response; electric vehicle; hierarchical
control; microgrid; smart charging; smart grid
ID LOAD FREQUENCY CONTROL; ELECTRIC VEHICLES; WATER-HEATERS; POWER-SYSTEMS;
MANAGEMENT; IMPACT; GRIDS
AB This paper presents a multi-timescale control strategy to deploy electric vehicle (EV) demand flexibility for simultaneously providing power balancing, grid congestion management, and economic benefits to participating actors. First, an EV charging problem is investigated from consumer, aggregator, and distribution system operator's perspectives. A hierarchical control architecture (HCA) comprising scheduling, coordinative, and adaptive layers is then designed to realize their coordinative goal. This is realized by integrating multi-time scale controls that work from a day-ahead scheduling up to real-time adaptive control. The performance of the developed method is investigated with high EV penetration in a typical residential distribution grid. The simulation results demonstrate that HCA efficiently utilizes demand flexibility stemming from EVs to solve grid unbalancing and congestions with simultaneous maximization of economic benefits to the participating actors. This is ensured by enabling EV participation in day-ahead, balancing, and regulation markets. For the given network configuration and pricing structure, HCA ensures the EV owners to get paid up to five times the cost they were paying without control.
C1 [Bhattarai, Bishnu P.; Myers, Kurt S.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
[Bak-Jensen, Birgitte] Aalborg Univ, Dept Energy Technol, DK-9220 Aalborg, Denmark.
[Paudyal, Sumit] Michigan Technol Univ, Dept Elect & Comp Engn, Houghton, MI 49931 USA.
RP Bhattarai, BP (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA.
EM bishnu.bhattarai@inl.gov; kurt.myers@inl.gov; bbj@et.aau.dk;
sumitp@mtu.edu
OI Bak-Jensen, Birgitte/0000-0001-8271-1356
FU Laboratory Directed Research and Development fund from Idaho National
Laboratory; 'Work for Others' projects for U.S. Army, Navy, and
AirForce; Idaho National Laboratory's Program Development Funds
FX This work was supported by Laboratory Directed Research and Development
fund from Idaho National Laboratory, 'Work for Others' projects for U.S.
Army, Navy, and AirForce, and Idaho National Laboratory's Program
Development Funds. The authors would like to acknowledge all the funding
sources for providing financial supports.
NR 41
TC 0
Z9 0
U1 9
U2 9
PU MDPI AG
PI BASEL
PA ST ALBAN-ANLAGE 66, CH-4052 BASEL, SWITZERLAND
SN 1996-1073
J9 ENERGIES
JI Energies
PD JAN
PY 2017
VL 10
IS 1
AR 37
DI 10.3390/en10010037
PG 18
WC Energy & Fuels
SC Energy & Fuels
GA EI3WG
UT WOS:000392422500037
ER
PT J
AU Zhang, YJ
Peng, YL
Ma, CQ
Shen, B
AF Zhang, Yue-Jun
Peng, Yu-Lu
Ma, Chao-Qun
Shen, Bo
TI Can environmental innovation facilitate carbon emissions reduction?
Evidence from China
SO ENERGY POLICY
LA English
DT Article
DE Environmental innovation; Carbon emissions trading; China; SGMM; PSM-DID
ID FOREIGN DIRECT-INVESTMENT; RESEARCH-AND-DEVELOPMENT; UNIT-ROOT TESTS;
ECO-INNOVATION; PANEL-DATA; ECONOMIC-GROWTH; EMPIRICAL-EVIDENCE; CO2
EMISSIONS; EU ETS; STRUCTURAL DECOMPOSITION
AB Environmental innovation has been recognized as an efficient way of addressing environmental problems. However, how environmental innovation may affect carbon emissions in China and whether the effect may differ among various environmental innovation variables remain to be investigated. Therefore, based on the panel data of China's 30 provinces during 2000-2013, we use a system generalized method of moments (SGMM) technique to estimate the effect of environmental innovation on carbon emissions in China. Also, we evaluate the effect on carbon emission reduction of China's initial carbon emissions trading (CET) scheme. Empirical results indicate that, most environmental innovation measures in China reduce carbon emissions effectively. Among the various environmental innovation factors, energy efficiency exerts the most evident effect on carbon emissions abatement in China; meanwhile, resources for innovation and knowledge innovation also play prominent roles in this regard. However, the impact of governmental environmental policies on curbing carbon emissions reduction suffers from a lag effect, which mainly occurred during 2006-2013. Finally, despite the short time of operation and incomplete market mechanism, the pilot CET in China has appeared relatively promising with regard to carbon emissions reduction.
C1 [Zhang, Yue-Jun; Peng, Yu-Lu; Ma, Chao-Qun] Hunan Univ, Sch Business, Changsha 410082, Hunan, Peoples R China.
[Zhang, Yue-Jun; Peng, Yu-Lu; Ma, Chao-Qun] Hunan Univ, Ctr Resource & Environm Management, Changsha 410082, Hunan, Peoples R China.
[Shen, Bo] Lawrence Berkeley Natl Lab, Energy Anal & Environm Impacts Div, Berkeley, CA 94720 USA.
RP Zhang, YJ (reprint author), Hunan Univ, Sch Business, Changsha 410082, Hunan, Peoples R China.
EM zyjmis@l26.com
FU National Natural Science Foundation of China [71273028, 71322103,
71431008]; National Special Support Program for High-Level Personnel
from the Central Government of China; Hunan Youth Talent Program
FX We gratefully acknowledge the financial support from the National
Natural Science Foundation of China (nos. 71273028, 71322103 and
71431008), National Special Support Program for High-Level Personnel
from the Central Government of China and Hunan Youth Talent Program. We
would also like to thank the seminar participants at the Center for
Resource and Environmental Management of Hunan University for their
insightful comments.
NR 84
TC 0
Z9 0
U1 22
U2 22
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0301-4215
EI 1873-6777
J9 ENERG POLICY
JI Energy Policy
PD JAN
PY 2017
VL 100
BP 18
EP 28
DI 10.1016/j.enpol.2016.10.005
PG 11
WC Energy & Fuels; Environmental Sciences; Environmental Studies
SC Energy & Fuels; Environmental Sciences & Ecology
GA EH6SJ
UT WOS:000391903900003
ER
PT J
AU McGrail, BP
Schaef, HT
Spane, FA
Cliff, JB
Qafoku, O
Horner, JA
Thompson, CJ
Owen, AT
Sullivan, CE
AF McGrail, B. Peter
Schaef, Herbert T.
Spane, Frank A.
Cliff, John B.
Qafoku, Odeta
Horner, Jake A.
Thompson, Christopher J.
Owen, Antoinette T.
Sullivan, Charlotte E.
TI Field Validation of Supercritical CO2 Reactivity with Basalts
SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LETTERS
LA English
DT Article
ID CARBON-DIOXIDE; RATES; DISPOSAL; STORAGE
AB Continued global use of fossil fuels places a premium on developing technology solutions to minimize increases in atmospheric CO2 levels. CO2 storage in reactive basalts might be one of these solutions by permanently converting injected gaseous CO2 into solid carbonates. Herein, we report results from a field demonstration in which similar to 1000 metric tons of CO2 was injected into a natural basalt formation in eastern Washington state. Following post-injection monitoring for 2 years, cores were obtained from within the injection zone and subjected to detailed physical and chemical analysis. Nodules found in vesicles throughout the cores were identified as the carbonate mineral, ankerite Ca[Fe,Mg,Mr](CO3)(2). Carbon isotope analysis showed the nodules are chemically distinct compared with natural carbonates present in the basalt and in clear correlation with the isotopic signature of the injected CO2. These findings provide field validation of rapid mineralization rates observed from years of laboratory testing with basalts.
C1 [McGrail, B. Peter; Schaef, Herbert T.; Spane, Frank A.; Cliff, John B.; Qafoku, Odeta; Horner, Jake A.; Thompson, Christopher J.; Owen, Antoinette T.; Sullivan, Charlotte E.] Pacific Northwest Natl Lab, POB 999,MS-K4-18, Richland, WA 99352 USA.
RP McGrail, BP (reprint author), Pacific Northwest Natl Lab, POB 999,MS-K4-18, Richland, WA 99352 USA.
EM pete.mcgrail@pnnl.gov
FU U.S. Department of Energy (DOE), Office of Fossil Energy, through the
National Energy Technology Laboratory (Morgantown, WV); Big Sky Regional
Carbon Partnership; U.S. Department of Energy Regional Carbon
Sequestration Partnership Program; Shell Exploration Production Co.;
Portland General Electric; Schlumberger, Inc.; DOE's Office of
Biological and Environmental Research; DOE by Battelle
[DE-AC05-76RL01830]; Boise, Inc.
FX This work was supported by the U.S. Department of Energy (DOE), Office
of Fossil Energy, through the National Energy Technology Laboratory
(Morgantown, WV), the Big Sky Regional Carbon Partnership, the U.S.
Department of Energy Regional Carbon Sequestration Partnership Program,
Boise, Inc., Shell Exploration & Production Co., Portland General
Electric, and Schlumberger, Inc. Several of the analyses were performed
at EMSL, the Environmental Molecular Sciences Laboratory, a national
scientific user facility sponsored by the DOE's Office of Biological and
Environmental Research, and located at Pacific Northwest National
Laboratory (PNNL). PNNL is operated for DOE by Battelle under Contract
DE-AC05-76RL01830.
NR 17
TC 2
Z9 2
U1 9
U2 9
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2328-8930
J9 ENVIRON SCI TECH LET
JI Environ. Sci. Technol. Lett.
PD JAN
PY 2017
VL 4
IS 1
BP 6
EP 10
DI 10.1021/acs.estlett.6b00387
PG 5
WC Engineering, Environmental; Environmental Sciences
SC Engineering; Environmental Sciences & Ecology
GA EH6VH
UT WOS:000391911500002
ER
PT J
AU Moore, CM
Staples, O
Jenkins, RW
Brooks, TJ
Semelsberger, TA
Sutton, AD
AF Moore, Cameron M.
Staples, Orion
Jenkins, Rhodri W.
Brooks, Ty J.
Semelsberger, Troy A.
Sutton, Andrew D.
TI Acetaldehyde as an ethanol derived bio-building block: an alternative to
Guerbet chemistry
SO GREEN CHEMISTRY
LA English
DT Article
ID ALDOL CONDENSATION; FERMENTATION; ALCOHOLS; DEHYDROGENATION;
HYDROCARBONS; BIOETHANOL; CONVERSION; CATALYSTS; DIOXIDE; FUELS
AB In this work, we describe a highly selective poly-aldol condensation of acetaldehyde, which can readily be obtained via dehydrogenation of ethanol. The process operates under mild temperatures (100 degrees C or less) using commercially available catalysts and exhibits excellent total carbon yield of C4+ products with good selectivity for C-6 products. The products derived from the reactions described herein are shown to be candidate drop-in fuel replacements for compression ignition engines and precursors to valuable chemicals.
C1 [Moore, Cameron M.; Staples, Orion; Jenkins, Rhodri W.; Brooks, Ty J.; Sutton, Andrew D.] Div Chem, MS K558, Los Alamos, NM USA.
[Semelsberger, Troy A.] Los Alamos Natl Lab, Mat Phys Applicat Div, MS K793, Los Alamos, NM 87545 USA.
RP Sutton, AD (reprint author), Div Chem, MS K558, Los Alamos, NM USA.
EM adsutton@lanl.gov
OI Sutton, Andrew/0000-0001-7984-1715
FU LANL Laboratory Directed Research and Development (LDRD) program
[LDRD20160095ER]; Office of Energy Efficiency & Renewable Energy (EERE)
Bioenergy Technology Office (BETO); LANL LDRD program; U.S. Department
of Energy [DE-AC5206NA25396]
FX We thank the LANL Laboratory Directed Research and Development (LDRD)
program (LDRD20160095ER) and the Office of Energy Efficiency & Renewable
Energy (EERE) Bioenergy Technology Office (BETO) for financial support.
Additionally we thank the LANL LDRD program for a Director's
Postdoctoral Fellowship to CMM. Los Alamos National Laboratory is
operated by Los Alamos National Security, LLC, for the National Nuclear
Security Administration of the U.S. Department of Energy under contract
DE-AC5206NA25396.
NR 35
TC 0
Z9 0
U1 10
U2 10
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9262
EI 1463-9270
J9 GREEN CHEM
JI Green Chem.
PY 2017
VL 19
IS 1
BP 169
EP 174
DI 10.1039/c6gc02507b
PG 6
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA EH4GE
UT WOS:000391728900019
ER
PT J
AU Kim, KH
Simmons, BA
Singh, S
AF Kim, Kwang Ho
Simmons, Blake A.
Singh, Seema
TI Catalytic transfer hydrogenolysis of ionic liquid processed biorefinery
lignin to phenolic compounds
SO GREEN CHEMISTRY
LA English
DT Article
ID TRANSFER HYDROGENATION; LIGNOCELLULOSIC BIOMASS; ENZYMATIC-HYDROLYSIS;
RENEWABLE CHEMICALS; METAL-CATALYSTS; RU/C CATALYST; DEPOLYMERIZATION;
PRETREATMENT; CONVERSION; CELLULOSE
AB Lignocellulosic biomass has the potential to play a significant role in the global bioeconomy for the production of renewable fuels and chemicals. It has been estimated that there are roughly a billion tons of lignocellulose available annually in the United States alone. Valorization of residual lignin streams generated from lignocellulosic biorefineries is key for economic viability and sustainability. In this work, catalytic transfer hydrogenolysis using isopropyl alcohol (IPA) as a hydrogen-donor solvent was employed at 300 degrees C to valorize lignin-enriched residues obtained from an ionic liquid (IL) conversion process. This process results in high liquid yields (65.5 wt%) with a significant amount of monomers present (27 wt%) and low char formation. Compositional analysis of the process streams indicates that alkyl-substituted phenols are the main products. Lignin depolymerization was enhanced at longer reaction times and in the presence of Ru/C, producing more, low molecular weight products with a greater extent of alkylation on the aromatic rings. This work suggests that residual lignin fractions from IL-based lignocellulosic conversion technologies can be depolymerized to value-added products and low molecular weight platform chemicals for the renewable fuels and chemicals sector.
C1 [Kim, Kwang Ho; Simmons, Blake A.; Singh, Seema] Joint BioEnergy Inst, Biomass Pretreatment, Emeryville, CA 94608 USA.
[Kim, Kwang Ho; Singh, Seema] Sandia Natl Labs, Biomass Sci & Convers Technol Dept, Livermore, CA 94551 USA.
[Simmons, Blake A.] Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA USA.
RP Singh, S (reprint author), Joint BioEnergy Inst, Biomass Pretreatment, Emeryville, CA 94608 USA.; Singh, S (reprint author), Sandia Natl Labs, Biomass Sci & Convers Technol Dept, Livermore, CA 94551 USA.
EM seesing@sandia.gov
FU U.S. Department of Energy, Office of Science, Office of Biological and
Environmental Research [DE-AC02-05CH11231]
FX This work was conducted by the DOE Joint BioEnergy Institute
(http://www.jbei.org) and supported by the U.S. Department of Energy,
Office of Science, Office of Biological and Environmental Research,
through contract DE-AC02-05CH11231 between Lawrence Berkeley National
Laboratory and the U.S. Department of Energy. The United States
Government retains and the publisher, by accepting the article for
publication, acknowledges that the United States Government retains a
nonexclusive, paid-up, irrevocable, world-wide license to publish or
reproduce the published form of this manuscript, or allow others to do
so, for United States Government purposes.
NR 40
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U1 27
U2 27
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9262
EI 1463-9270
J9 GREEN CHEM
JI Green Chem.
PY 2017
VL 19
IS 1
BP 215
EP 224
DI 10.1039/c6gc02473d
PG 10
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA EH4GE
UT WOS:000391728900024
ER
PT J
AU Xu, ZW
Hu, ZC
Song, YH
Wang, JH
AF Xu, Zhiwei
Hu, Zechun
Song, Yonghua
Wang, Jianhui
TI Risk-Averse Optimal Bidding Strategy for Demand-Side Resource
Aggregators in Day-Ahead Electricity Markets Under Uncertainty
SO IEEE TRANSACTIONS ON SMART GRID
LA English
DT Article
DE Aggregator; conditional value-at-risk (CVaR); optimal day-ahead bidding;
regret; risk-averse; value-at-risk (VaR)
ID ROBUST UNIT COMMITMENT; REGRET; LOADS
AB This paper first presents a generic model to characterize a variety of flexible demand-side resources (e.g., plug-in electric vehicles and distributed generation). Key sources of uncertainty affecting the modeling results are identified and are characterized via multiple stochastic scenarios. We then propose a risk-averse optimal bidding formulation for the resource aggregator at the demand side based on the conditional value-at-risk (VaR) theory. Specifically, this strategy seeks to minimize the expected regret value over a subset of worst-case scenarios whose collective probability is no more than a threshold value. Our approach ensures the robustness of the day-ahead (DA) bidding strategy while considering the uncertainties associated with the renewable generation, real-time price, and electricity demand. We carry out numerical simulations against three benchmark bidding strategies, including a VaR-based approach and a traditional scenario based stochastic programming approach. We find that the proposed strategy outperforms the benchmark strategies in terms of hedging high regret risks, and results in computational efficiency and DA bidding costs that are comparable to the benchmarks.
C1 [Xu, Zhiwei; Hu, Zechun; Song, Yonghua] Tsinghua Univ, Dept Elect Engn, Beijing 100084, Peoples R China.
[Wang, Jianhui] Argonne Natl Lab, Lemont, IL 60439 USA.
RP Hu, ZC (reprint author), Tsinghua Univ, Dept Elect Engn, Beijing 100084, Peoples R China.
EM xu-zw07@mails.tsinghua.edu.cn; zechhu@tsinghua.edu.cn;
yhsong@tsinghua.edu.cn
FU National Natural Science Foundation of China [51477082]
FX This work was supported by the National Natural Science Foundation of
China under Grant 51477082.
NR 30
TC 0
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U1 2
U2 2
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 1949-3053
EI 1949-3061
J9 IEEE T SMART GRID
JI IEEE Trans. Smart Grid
PD JAN
PY 2017
VL 8
IS 1
BP 96
EP 105
DI 10.1109/TSG.2015.2477101
PG 10
WC Engineering, Electrical & Electronic
SC Engineering
GA EH4EP
UT WOS:000391724500009
ER
PT J
AU Li, CJ
Yu, XH
Yu, WW
Chen, G
Wang, JH
AF Li, Chaojie
Yu, Xinghuo
Yu, Wenwu
Chen, Guo
Wang, Jianhui
TI Efficient Computation for Sparse Load Shifting in Demand Side Management
SO IEEE TRANSACTIONS ON SMART GRID
LA English
DT Article
DE Sparse load shifting; demand-side management; game theory; smart
appliances scheduling; Newton method; fast gradient
ID SMART GRIDS; FRAMEWORK
AB This paper introduces a distributed algorithm for sparse load shifting in demand-side management with a focus on the scheduling problem of residential smart appliances. By the sparse load shifting strategy, customers' discomfort is reduced. Although there are many game theoretic models for the demand-side management problem, the computational efficiency of finding Nash equilibrium that globally minimizes the total energy consumption cost and the peak-to-average ratio is still an outstanding issue. We develop a bidirectional framework for solving the demand-side management problem in a distributed way to substantially improve the search efficiency. A Newton method is employed to accelerate the centralized coordination of demand side management strategies that super-linearly converge to a better Nash equilibrium minimizing the peak-to-average ratio. Furthermore, dual fast gradient and convex relaxation are applied to tackle the sub-problem for customers' best response, which is able to relieve customers' discomfort from load shifting or interrupting. Detailed results from illustrative case studies are presented and discussed, which shows the costs of energy consumption and daily peak demand by our algorithm are reduced. Finally, some conclusions are drawn.
C1 [Li, Chaojie; Yu, Xinghuo] RMIT Univ, Sch Elect & Comp Engn, Melbourne, Vic 3000, Australia.
[Yu, Wenwu] Southeast Univ, Dept Math, Nanjing 210096, Jiangsu, Peoples R China.
[Chen, Guo] Univ Newcastle, Sch Elect Engn & Comp Sci, Callaghan, NSW 2308, Australia.
[Wang, Jianhui] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA.
RP Chen, G (reprint author), Univ Newcastle, Sch Elect Engn & Comp Sci, Callaghan, NSW 2308, Australia.
EM cjlee.cqu@163.com; x.yu@rmit.edu.au; wwyu@seu.edu.cn; guochen@ieee.org;
jianhui.wang@anl.gov
RI Yu, Wenwu/G-5496-2012
OI Yu, Wenwu/0000-0003-3755-179X
FU Australian Research Council (ARC) [140100544, 130102244]; ARC
[160100675]; National Natural Science Foundation of China [61322302];
National Ten Thousand Talent Program for Young Top-Notch Talents; Six
Talent Peaks of Jiangsu Province of China [2014-DZXX-004]
FX This work was supported in part by the Australian Research Council (ARC)
Discovery Scheme under Grant 140100544 and Grant 130102244, in part by
the ARC Discovery Early Career Researcher Award Scheme under Grant
160100675, in part by the National Natural Science Foundation of China
under Grant 61322302, in part by the National Ten Thousand Talent
Program for Young Top-Notch Talents, and in part by the Six Talent Peaks
of Jiangsu Province of China under Grant 2014-DZXX-004. Paper no.
TSG-00084-2015.
NR 30
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U1 4
U2 4
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 1949-3053
EI 1949-3061
J9 IEEE T SMART GRID
JI IEEE Trans. Smart Grid
PD JAN
PY 2017
VL 8
IS 1
BP 250
EP 261
DI 10.1109/TSG.2016.2521377
PG 12
WC Engineering, Electrical & Electronic
SC Engineering
GA EH4EP
UT WOS:000391724500024
ER
PT J
AU Kim, K
Yang, F
Zavala, VM
Chien, AA
AF Kim, Kibaek
Yang, Fan
Zavala, Victor M.
Chien, Andrew A.
TI Data Centers as Dispatchable Loads to Harness Stranded Power
SO IEEE TRANSACTIONS ON SUSTAINABLE ENERGY
LA English
DT Article
DE Cloud computing; energy markets; green computing; power grid; renewable
portfolio standard (RPS); renewable power
AB We analyze how traditional data center placement and optimal placement of dispatchable data centers affect power grid efficiency. We use detailed network models, stochastic optimization formulations, and diverse renewable generation scenarios to perform our analysis. Our results reveal that significant spillage and stranded power will persist in power grids as wind power levels are increased. A counter-intuitive finding is that collocating data centers with inflexible loads next to wind farms has limited impacts on renewable portfolio standard (RPS) goals because it provides limited system-level flexibility. Such an approach can, in fact, increase stranded power and fossil-fueled generation. In contrast, optimally placing data centers that are dispatchable provides system-wide flexibility, reduces stranded power, and improves efficiency. In short, optimally placed dispatchable computing loads can enable better scaling to high RPS. In our case study, we find that these dispatchable computing loads are powered to 60-80% of their requested capacity, indicating that there are significant economic incentives provided by stranded power.
C1 [Kim, Kibaek] Argonne Natl Lab, Math & Comp Sci Div, Lemont, IL 60439 USA.
[Yang, Fan; Chien, Andrew A.] Univ Chicago, Dept Comp Sci, Chicago, IL 60637 USA.
[Zavala, Victor M.] Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA.
[Zavala, Victor M.; Chien, Andrew A.] Argonne Natl Lab, MCS Div, Lemont, IL 60439 USA.
RP Kim, K (reprint author), Argonne Natl Lab, Math & Comp Sci Div, Lemont, IL 60439 USA.
EM kimk@anl.gov; fanyang@cs.uchicago.edu; victor.zavala@wisc.edu;
achien@cs.uchicago.edu
FU U.S. Department of Energy, Office of Science [DE-AC02-06CH11357];
National Science Foundation [CNS-1405959]
FX This work was supported in part by the U.S. Department of Energy, Office
of Science, under contract number DE-AC02-06CH11357 and in part by the
National Science Foundation under Award CNS-1405959. Paper no.
TSTE-00188-2016.
NR 33
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U1 4
U2 4
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 1949-3029
J9 IEEE T SUSTAIN ENERG
JI IEEE Trans. Sustain. Energy
PD JAN
PY 2017
VL 8
IS 1
BP 208
EP 218
DI 10.1109/TSTE.2016.2593607
PG 11
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Electrical & Electronic
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA EH0SD
UT WOS:000391473100021
ER
PT J
AU Baker, K
Hug, G
Li, X
AF Baker, Kyri
Hug, Gabriela
Li, Xin
TI Energy Storage Sizing Taking Into Account Forecast Uncertainties and
Receding Horizon Operation
SO IEEE TRANSACTIONS ON SUSTAINABLE ENERGY
LA English
DT Article
DE Batteries; energy storage; optimal scheduling; power system planning;
wind energy
AB Energy storage systems (ESS) have the potential to be very beneficial for applications such as reducing the ramping of generators, peak shaving, and balancing not only the variability introduced by renewable energy sources, but also the uncertainty introduced by errors in their forecasts. Optimal usage of storage may result in reduced generation costs and an increased use of renewable energy. However, optimally sizing these devices is a challenging problem. This paper aims to provide the tools to optimally size an ESS under the assumption that it will be operated under a model predictive control scheme and that the forecast of the renewable energy resources include prediction errors. A two-stage stochastic model predictive control is formulated and solved, where the optimal usage of the storage is simultaneously determined along with the optimal generation outputs and size of the storage. Wind forecast errors are taken into account in the optimization problem via probabilistic constraints for which an analytical form is derived. This allows for the stochastic optimization problem to be solved directly, without using sampling-based approaches, and sizing the storage to account not only for a wide range of potential scenarios, but also for a wide range of potential forecast errors. In the proposed formulation, we account for the fact that errors in the forecast affect how the device is operated later in the horizon and that a receding horizon scheme is used in operation to optimally use the available storage.
C1 [Baker, Kyri] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Hug, Gabriela] Swiss Fed Inst Technol, Dept Informat Technol & Elect Engn, CH-8092 Zurich, Switzerland.
[Li, Xin] Carnegie Mellon Univ, Dept Elect & Comp Engn, Pittsburgh, PA 15213 USA.
RP Baker, K (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM kyri.baker@nrel.gov; ghug@ethz.ch; xinli@ece.cmu.edu
OI Baker, Kyri/0000-0002-6854-9134
FU Grid Technologies Collaborative; National Science Foundation
[ECCS-1027576]; National Energy Technology Laboratory; SYSU-CMU Joint
Institute of Engineering
FX This work was supported in part by the Grid Technologies Collaborative,
in part by the National Science Foundation under Grant ECCS-1027576, in
part by the National Energy Technology Laboratory, and in part by the
SYSU-CMU Joint Institute of Engineering.
NR 23
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U1 2
U2 2
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 1949-3029
J9 IEEE T SUSTAIN ENERG
JI IEEE Trans. Sustain. Energy
PD JAN
PY 2017
VL 8
IS 1
BP 331
EP 340
DI 10.1109/TSTE.2016.2599074
PG 10
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Electrical & Electronic
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA EH0SD
UT WOS:000391473100032
ER
PT J
AU McGovern, ME
Balch, DK
Reis, H
AF McGovern, M. E.
Balch, D. K.
Reis, H.
TI Non-destructive evaluation and characterisation of high-temperature
hydrogen attack in carbon steel pressure vessels
SO INSIGHT
LA English
DT Article
DE high-temperature hydrogen attack; carbon steels; Nelson curves; damage;
decarburisation; non-collinear wave mixing
ID CR-1 MO STEEL; 3-PHONON INTERACTIONS; ELASTIC WAVES; KINETICS; CAVITY;
GROWTH
AB A non-destructive testing approach capable of evaluating high-temperature hydrogen attack (HTHA) in pressure vessels made of carbon steel is presented. The approach, involving non-collinear wave mixing of ultrasonic waves, is applied to a test sample extracted from a retired pressure vessel exposed to hydrogen. Results show that the non-linear ultrasonic approach is capable of detecting and assessing HTHA damage through the thickness of the pressure vessels. The method only requires access to the vessels' outside surface, which makes it very attractive for field inspections.
C1 [McGovern, M. E.; Reis, H.] Univ Illinois, Dept Ind & Enterprise Syst Engn, 104 S Mathews Ave, Urbana, IL 61801 USA.
[Balch, D. K.] Sandia Natl Labs, Livermore, CA 94550 USA.
RP Reis, H (reprint author), Univ Illinois, Dept Ind & Enterprise Syst Engn, 104 S Mathews Ave, Urbana, IL 61801 USA.
EM h-reis@uiuc.edu
NR 27
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Z9 0
U1 5
U2 5
PU BRITISH INST NON-DESTRUCTIVE TESTING
PI NORTHAMPTON
PA 1 SPENCER PARADE, NORTHAMPTON NN1 5AA, NORTHANTS, ENGLAND
SN 1354-2575
EI 1754-4904
J9 INSIGHT
JI Insight
PD JAN
PY 2017
VL 59
IS 1
BP 11
EP 16
DI 10.1784/insi.2017.59.1.11
PG 6
WC Instruments & Instrumentation; Materials Science, Characterization &
Testing
SC Instruments & Instrumentation; Materials Science
GA EH4IR
UT WOS:000391735400005
ER
PT J
AU Deelman, E
Carothers, C
Mandal, A
Tierney, B
Vetter, JS
Baldin, I
Castillo, C
Juve, G
Krol, D
Lynch, V
Mayer, B
Meredith, J
Proffen, T
Ruth, P
da Silva, RF
AF Deelman, Ewa
Carothers, Christopher
Mandal, Anirban
Tierney, Brian
Vetter, Jeffrey S.
Baldin, Ilya
Castillo, Claris
Juve, Gideon
Krol, Dariusz
Lynch, Vickie
Mayer, Ben
Meredith, Jeremy
Proffen, Thomas
Ruth, Paul
da Silva, Rafael Ferreira
TI PANORAMA: An approach to performance modeling and diagnosis of
extreme-scale workflows
SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS
LA English
DT Article
DE Performance modeling; extreme scale; scientific workflow
ID PARALLEL COMPUTATION; SCIENTIFIC WORKFLOWS; SYSTEM; INFRASTRUCTURE;
SCIENCE
AB Computational science is well established as the third pillar of scientific discovery and is on par with experimentation and theory. However, as we move closer toward the ability to execute exascale calculations and process the ensuing extreme-scale amounts of data produced by both experiments and computations alike, the complexity of managing the compute and data analysis tasks has grown beyond the capabilities of domain scientists. Thus, workflow management systems are absolutely necessary to ensure current and future scientific discoveries. A key research question for these workflow management systems concerns the performance optimization of complex calculation and data analysis tasks. The central contribution of this article is a description of the PANORAMA approach for modeling and diagnosing the run-time performance of complex scientific workflows. This approach integrates extreme-scale systems testbed experimentation, structured analytical modeling, and parallel systems simulation into a comprehensive workflow framework called Pegasus for understanding and improving the overall performance of complex scientific workflows.
C1 [Deelman, Ewa; Juve, Gideon; Krol, Dariusz; da Silva, Rafael Ferreira] Univ Southern Calif, Inst Informat Sci, Los Angeles, CA 90089 USA.
[Carothers, Christopher] Rensselaer Polytech Inst, Troy, NY 12181 USA.
[Mandal, Anirban; Baldin, Ilya; Castillo, Claris; Ruth, Paul] RENCI UNC Chapel Hill, Chapel Hill, NC USA.
[Tierney, Brian] Lawrence Berkeley Natl Lab, Berkeley, CA USA.
[Vetter, Jeffrey S.; Lynch, Vickie; Mayer, Ben; Meredith, Jeremy; Proffen, Thomas] Oak Ridge Natl Lab, One Bethel Valley Rd,MS 6173, Oak Ridge, TN 37831 USA.
[Krol, Dariusz] AGH Univ Sci & Technol, Krakow, Poland.
RP Vetter, JS (reprint author), Oak Ridge Natl Lab, One Bethel Valley Rd,MS 6173, Oak Ridge, TN 37831 USA.
EM vetter@computer.org
RI Proffen, Thomas/B-3585-2009;
OI Proffen, Thomas/0000-0002-1408-6031; Ferreira da Silva,
Rafael/0000-0002-1720-0928; Lynch, Vickie/0000-0002-5836-7636
FU DOE [DE-SC0012636]; US Department of Energy (DOE), Office of Science,
Basic Energy Sciences, Materials Sciences and Engineering Division;
Scientific User Facilities Division, Office of Basic Energy Sciences; US
Department of Energy [DE-AC05-00OR22725]
FX This work was funded by the DOE (contract number DE-SC0012636, "Panorama
- Predictive Modeling and Diagnostic Monitoring of Extreme Science
Workflows''). The development of the neutron scattering simulation
workflow was supported by the US Department of Energy (DOE), Office of
Science, Basic Energy Sciences, Materials Sciences and Engineering
Division. The use of Oak Ridge National Laboratory's Spallation Neutron
was sponsored by the Scientific User Facilities Division, Office of
Basic Energy Sciences. This manuscript has been authored, in part, by
Oak Ridge National Laboratory, which is managed bb UT-Battelle, LLC
under Contract No. DE-AC05-00OR22725 with the US Department of Energy.
The United States Government retains and the publisher, by accepting the
article for publication, acknowledges that the United States Government
retains a non-exclusive, paid-up, irrevocable, world-wide license to
publish or reproduce the published form of this manuscript, or allow
others to do so, for United States Government purposes. The Department
of Energy will provide public access to these results of federally
sponsored research in accordance with the DOE Public Access Plan
(http://energy.gov/downloads/doe-public-access-plan). This research is
sponsored by the Office of Advanced Scientific Computing Research in the
US Department of Energy.
NR 68
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U1 1
U2 1
PU SAGE PUBLICATIONS LTD
PI LONDON
PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND
SN 1094-3420
EI 1741-2846
J9 INT J HIGH PERFORM C
JI Int. J. High Perform. Comput. Appl.
PD JAN
PY 2017
VL 31
IS 1
BP 4
EP 18
DI 10.1177/1094342015594515
PG 15
WC Computer Science, Hardware & Architecture; Computer Science,
Interdisciplinary Applications; Computer Science, Theory & Methods
SC Computer Science
GA EH2BI
UT WOS:000391571800002
ER
PT J
AU Teodoro, G
Kurc, T
Andrade, G
Kong, J
Ferreira, R
Saltz, J
AF Teodoro, George
Kurc, Tahsin
Andrade, Guilherme
Kong, Jun
Ferreira, Renato
Saltz, Joel
TI Application performance analysis and efficient execution on systems with
multi-core CPUs, GPUs and MICs: a case study with microscopy image
analysis
SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS
LA English
DT Article
DE Hybrid systems; GPGPU; Intel Xeon Phi; cooperative execution; image
analysis
ID MODEL; ARCHITECTURES; ALGORITHMS
AB We carry out a comparative performance study of multi-core CPUs, GPUs and Intel Xeon Phi (Many Integrated Core (MIC)) with a microscopy image analysis application. We experimentally evaluate the performance of computing devices on core operations of the application. We correlate the observed performance with the characteristics of computing devices and data access patterns, computation complexities, and parallelization forms of the operations. The results show a significant variability in the performance of operations with respect to the device used. The performances of operations with regular data access are comparable or sometimes better on a MIC than that on a GPU. GPUs are more efficient than MICs for operations that access data irregularly, because of the lower bandwidth of the MIC for random data accesses. We propose new performance-aware scheduling strategies that consider variabilities in operation speedups. Our scheduling strategies significantly improve application performance compared with classic strategies in hybrid configurations.
C1 [Teodoro, George] Univ Brasilia, Dept Comp Sci, Brasilia, DF, Brazil.
[Kurc, Tahsin; Saltz, Joel] SUNY Stony Brook, Dept Biomed Informat, Stony Brook, NY 11794 USA.
[Kurc, Tahsin; Saltz, Joel] Oak Ridge Natl Lab, Sci Data Grp, Oak Ridge, TN USA.
[Andrade, Guilherme; Ferreira, Renato] Univ Fed Minas Gerais, Dept Comp Sci, Belo Horizonte, MG, Brazil.
[Kong, Jun] Emory Univ, Dept Biomed Informat, Atlanta, GA 30322 USA.
RP Teodoro, G (reprint author), Univ Brasilia, Inst Exact Sci, Dept Comp Sci, POB 4466, BR-70904970 Brasilia, DF, Brazil.
EM teodoro@unb.br
FU NCI [HHSN261200800001E, 1U24CA180924-01A1]; NLM [R01LM011119-01,
R01LM009239]; National Institutes of Health (NIH) [RC4MD005964,
K25CA181503]; CNPq; CAPES; FINEP; Fapemig; INWEB; NSF [OCI-0910735]
FX This work was supported in part by the NCI (grant numbers
HHSN261200800001E and 1U24CA180924-01A1), the NLM (grant numbers
R01LM011119-01 and R01LM009239), and the National Institutes of Health
(NIH) (grant numbers RC4MD005964 and K25CA181503), the CNPq, CAPES,
FINEP, Fapemig, and INWEB. This research used resources provided by the
XSEDE Science Gateways program and the Keeneland Computing Facility at
the Georgia Institute of Technology, which is supported by the NSF under
contract OCI-0910735.
NR 51
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U1 2
U2 2
PU SAGE PUBLICATIONS LTD
PI LONDON
PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND
SN 1094-3420
EI 1741-2846
J9 INT J HIGH PERFORM C
JI Int. J. High Perform. Comput. Appl.
PD JAN
PY 2017
VL 31
IS 1
BP 32
EP 51
DI 10.1177/1094342015594519
PG 20
WC Computer Science, Hardware & Architecture; Computer Science,
Interdisciplinary Applications; Computer Science, Theory & Methods
SC Computer Science
GA EH2BI
UT WOS:000391571800004
PM 28239253
ER
PT J
AU Geist, A
Reed, DA
AF Geist, Al
Reed, Daniel A.
TI A survey of high-performance computing scaling challenges
SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS
LA English
DT Article
DE Reliability; exascale systems; cloud computing; energy efficiency; data
center
AB Commodity clusters revolutionized high-performance computing when they first appeared two decades ago. As scale and complexity have grown, new challenges in reliability and systemic resilience, energy efficiency and optimization and software complexity have emerged that suggest the need for re-evaluation of current approaches. This paper reviews the state of the art and reflects on some of the challenges likely to be faced when building trans-petascale computing systems, using insights and perspectives drawn from operational experience and community debates.
C1 [Geist, Al] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Reed, Daniel A.] Univ Iowa, Dept Comp Sci, Iowa City, IA 52242 USA.
RP Reed, DA (reprint author), Univ Iowa, Dept Comp Sci, Iowa City, IA 52242 USA.
EM dan-reed@uiowa.edu
FU US Department of Energy Office of Science [DE-AC0500OR22725]; National
Science Foundation (NSF) [ACI-1349521]
FX Al Geist acknowledges support from the US Department of Energy Office of
Science (contract DE-AC0500OR22725). Daniel A Reed acknowledges support
from the National Science Foundation (NSF grant ACI-1349521).
NR 24
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U1 1
U2 1
PU SAGE PUBLICATIONS LTD
PI LONDON
PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND
SN 1094-3420
EI 1741-2846
J9 INT J HIGH PERFORM C
JI Int. J. High Perform. Comput. Appl.
PD JAN
PY 2017
VL 31
IS 1
BP 104
EP 113
DI 10.1177/1094342015597083
PG 10
WC Computer Science, Hardware & Architecture; Computer Science,
Interdisciplinary Applications; Computer Science, Theory & Methods
SC Computer Science
GA EH2BI
UT WOS:000391571800009
ER
PT J
AU Hammetter, CI
Jones, RL
Stauffacher, HL
Schoenherr, TF
AF Hammetter, C. I.
Jones, R. L.
Stauffacher, H. L.
Schoenherr, T. F.
TI Measurement and modeling of supersonic hailstone impacts
SO INTERNATIONAL JOURNAL OF IMPACT ENGINEERING
LA English
DT Article
DE Hailstone; Impact; Impulse; Model; Supersonic
ID ICE IMPACTS; KINEMATICS
AB Hailstone impacts can be detrimental to the lightweight structures of aerofoils from ground-based wind turbine blades to supersonic aircraft wings. Hailstone impacts have been studied and modeled in recent years but the work has not yet reached a higher-velocity regime that is relevant to many current applications. We have pushed higher into this regime with new approaches in both modeling and experimental measurement of hailstone impacts. The impulses of hailstone impacts on a flat plate were measured up through supersonic velocities and over a range of impact angles using the Sum of Weighted Accelerations Technique (SWAT) developed at Sandia National Laboratories. These results are compared with the impulses predicted by finite element simulations that improve upon existing material models from literature. The result of this work is a hailstone impact model, calibrated by experiments, that is capable of capturing the impulses imparted on structures by hailstones traveling up to supersonic velocities and impacting over a range of angles. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Hammetter, C. I.; Jones, R. L.; Stauffacher, H. L.; Schoenherr, T. F.] Sandia Natl Labs, POB 5800,Mail Stop 0840, Albuquerque, NM 87185 USA.
RP Hammetter, CI (reprint author), Sandia Natl Labs, POB 5800,Mail Stop 0840, Albuquerque, NM 87185 USA.
EM cihamme@sandia.gov
NR 21
TC 0
Z9 0
U1 1
U2 1
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0734-743X
EI 1879-3509
J9 INT J IMPACT ENG
JI Int. J. Impact Eng.
PD JAN
PY 2017
VL 99
BP 48
EP 57
DI 10.1016/j.ijimpeng.2016.09.001
PG 10
WC Engineering, Mechanical; Mechanics
SC Engineering; Mechanics
GA EH6SM
UT WOS:000391904200005
ER
PT J
AU Tomar, V
Sachan, R
AF Tomar, Vikas
Sachan, Ritesh
TI Interface Strength Measurements
SO JOM
LA English
DT Editorial Material
C1 [Tomar, Vikas] Purdue Univ, W Lafayette, IN 47907 USA.
[Sachan, Ritesh] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Tomar, V (reprint author), Purdue Univ, W Lafayette, IN 47907 USA.
EM Tomar@purdue.edu; sachanr@ornl.gov
NR 0
TC 0
Z9 0
U1 4
U2 4
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1047-4838
EI 1543-1851
J9 JOM-US
JI JOM
PD JAN
PY 2017
VL 69
IS 1
BP 12
EP 12
DI 10.1007/s11837-016-2158-9
PG 1
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA EH0MM
UT WOS:000391458200001
ER
PT J
AU Lawrence, SK
Somerday, BP
Karnesky, RA
AF Lawrence, S. K.
Somerday, B. P.
Karnesky, R. A.
TI Elastic Property Dependence on Mobile and Trapped Hydrogen in Ni-201
SO JOM
LA English
DT Article
ID SINGLE-CRYSTALS; STAINLESS-STEEL; NICKEL; EMBRITTLEMENT; VACANCIES;
FRACTURE; CRACKING; EQUILIBRIUM; SEGREGATION; FAILURE
AB Enhanced dislocation processes can accompany decohesion mechanisms during hydrogen degradation of ductile structural metals. However, hydrogen-deformation interactions and the role of defects in degradation processes remain poorly understood. In the current study, nanoindentation within specifically oriented grains in as-received, hydrogen-charged, aged, and hydrogen re-charged conditions revealed a "hysteresis" of indentation modulus, while the indentation hardness varied minimally. Thermal pre-charging with approximately 2000 appm hydrogen decreases the indentation modulus by similar to 20%, aging leads to a slight recovery, but re-charging drives the modulus back down to values similar to those measured in the hydrogen-charged condition. This "hysteresis" indicates that dissolved interstitial hydrogen is not solely responsible for mechanical property alterations; hydrogen trapped at defects also contributes to elastic property variation.
C1 [Lawrence, S. K.; Karnesky, R. A.] Sandia Natl Labs, Livermore, CA 94550 USA.
[Somerday, B. P.] Southwest Res Inst, 6220 Culebra Rd, San Antonio, TX 78238 USA.
[Somerday, B. P.] Kyushu Univ, Int Inst Carbon Neutral Energy Res WPI I2CNER, Nishi Ku, 744 Moto Oka, Fukuoka 8190395, Japan.
[Lawrence, S. K.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
RP Lawrence, SK (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA.; Lawrence, SK (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM slawrence@lanl.gov
OI Karnesky, Richard/0000-0003-4717-457X; Lawrence,
Samantha/0000-0002-7900-4391
FU DOE NNSA Stewardship Science Graduate Fellowship [DE-NA0002135];
Laboratory Directed Research and Development program at Sandia National
Laboratories [SNL-LDRD-173116]; U.S. Department of Energy's National
Nuclear Security Administration [DE-AC04-94AL85000]
FX This work was supported by the DOE NNSA Stewardship Science Graduate
Fellowship [Grant DE-NA0002135] (SKL) and the Laboratory Directed
Research and Development program at Sandia National Laboratories [Grant
SNL-LDRD-173116], a multi-mission laboratory managed and operated by
Sandia Corporation, a wholly owned subsidiary of Lockheed Martin
Corporation, for the U.S. Department of Energy's National Nuclear
Security Administration under Contract DE-AC04-94AL85000.
NR 31
TC 0
Z9 0
U1 1
U2 1
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1047-4838
EI 1543-1851
J9 JOM-US
JI JOM
PD JAN
PY 2017
VL 69
IS 1
BP 45
EP 50
DI 10.1007/s11837-016-2157-x
PG 6
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA EH0MM
UT WOS:000391458200006
ER
PT J
AU Boudreaux, P
Pallin, S
Jackson, R
AF Boudreaux, Philip
Pallin, Simon
Jackson, Roderick
TI Investigation of the proposed solar-driven moisture phenomenon in
asphalt shingle roofs
SO JOURNAL OF BUILDING PHYSICS
LA English
DT Article
DE Building envelope; hygrothermal analysis; attics; roofs; moisture;
unvented; sealed; semi-conditioned
AB Unvented attics are an energy-efficiency measure to reduce the thermal load of the conditioned space and decrease the space conditioning energy consumption by about 10%. This retrofit is usually done by spraying polyurethane foam underneath the roof sheathing, and on the gables and soffits of an attic to provide an air barrier and a thermal control layer. Unvented attics perform well from this perspective, but from a moisture perspective sometimes homes with unvented attics have high interior humidity or moisture damage to the roof. As homes become more air tight and energy efficient, a better understanding of the hygrothermal dynamics of homes with energy-efficient envelopes becomes more important. One proposed reason for high unvented attic humidity has been that moisture can come through the asphalt shingle roof system and increase the moisture content of the roof sheathing and attic air. This has been called solar-driven moisture. Oak Ridge National Laboratory investigated this proposed phenomenon by examining the physical properties of a roof and the physics required for the phenomenon. Results showed that there are not favorable conditions for solar-driven moisture to occur. Oak Ridge National Laboratory also conducted an experimental study in a home with an unvented attic and compared the humidity below the roof sheathing before and after a vapor impermeable underlayment was installed. There was no statistically significant difference in absolute humidity before and after the impermeable underlayment was installed. The outcomes of the theoretical and experimental studies suggest that solar-driven moisture does not occur in any significant amount.
C1 [Boudreaux, Philip; Pallin, Simon; Jackson, Roderick] Oak Ridge Natl Lab, Bldg Technol Res & Integrat Ctr, Oak Ridge, TN 37831 USA.
RP Boudreaux, P (reprint author), Oak Ridge Natl Lab, Bldg Technol Res & Integrat Ctr, Oak Ridge, TN 37831 USA.
EM boudreauxpr@ornl.gov
FU Tennessee Valley Authority; US Department of Energy Building America
Program
FX The author(s) disclosed receipt of the following financial support for
the research, authorship, and/or publication of this article: This study
was supported through funding provided by Tennessee Valley Authority and
the US Department of Energy Building America Program.
NR 16
TC 0
Z9 0
U1 3
U2 3
PU SAGE PUBLICATIONS LTD
PI LONDON
PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND
SN 1744-2591
EI 1744-2583
J9 J BUILD PHYS
JI J. Build Phys.
PD JAN
PY 2017
VL 40
IS 4
BP 311
EP 323
DI 10.1177/1744259115624183
PG 13
WC Construction & Building Technology
SC Construction & Building Technology
GA EH5AF
UT WOS:000391784300002
ER
PT J
AU Richard, R
Santos-Lozada, AR
Dewey, WS
Chung, KK
AF Richard, Reg
Santos-Lozada, Alexis R.
Dewey, W. Scott
Chung, Kevin K.
TI Profile of Patients Without Burn Scar Contracture Development
SO JOURNAL OF BURN CARE & RESEARCH
LA English
DT Article
ID CUTANEOUS FUNCTIONAL UNITS; INJURY; REHABILITATION; THERAPY; RISK
AB Burn scar contractures (BSCs) are a frequently recognized problem for survivors of burn injury. In the burn literature, many reports focus on the frequency and factors associated with the BSC development. To the contrary, few burn rehabilitation publications report on patients who are able to successfully avoid developing BSC. From a prospective, multicenter study, data were extracted and reviewed on a group of 56 adult burn survivors who were discharged from their acute hospitalization without any measured BSCs. Forty-three variables with a recognized or presumed association with the development of BSCs were analyzed and are reported. Highlighted features of the noncontracted group included being an adult male with an educated background and few associated physical, medical, or social problems. The group had relatively small burn sizes that nonetheless required hospitalization. Despite the overall TBSA, the majority of the burn areas required skin grafting, although this area also represented a small area. The patient group had a longer than expected hospital stay. Rehabilitation was provided to patients on 80% of their hospital days. In addition, patients received sufficient rehabilitation treatment based on the number of cutaneous functional units involved in the burn injury. Patients were judged to have a high pain tolerance and compliant with rehabilitation. The results of this study document the clinical circumstances that patients with burn injury can be discharged from their acute hospitalization with the development of BSC. This study challenges the rehabilitation personnel to expand the upper limit of burn severity that can result in similar positive outcomes.
C1 [Richard, Reg; Santos-Lozada, Alexis R.; Dewey, W. Scott; Chung, Kevin K.] US Army Inst Surg Res Burn Ctr, San Antonio, TX USA.
[Santos-Lozada, Alexis R.] Oak Ridge Inst Sci & Educ, San Antonio, TX USA.
[Santos-Lozada, Alexis R.] Penn State Univ, State Coll, PA USA.
RP Richard, R (reprint author), 3698 Chambers Pass, Jbsa Ft Sam Houston, TX 78234 USA.
EM eg.l.richard.ctr@mail.mil
NR 31
TC 0
Z9 0
U1 1
U2 1
PU LIPPINCOTT WILLIAMS & WILKINS
PI PHILADELPHIA
PA TWO COMMERCE SQ, 2001 MARKET ST, PHILADELPHIA, PA 19103 USA
SN 1559-047X
EI 1559-0488
J9 J BURN CARE RES
JI J. Burn Care Res.
PD JAN-FEB
PY 2017
VL 38
IS 1
BP E62
EP E69
DI 10.1097/BCR.0000000000000418
PG 8
WC Emergency Medicine; Dermatology; Surgery
SC Emergency Medicine; Dermatology; Surgery
GA EH6FF
UT WOS:000391867500010
PM 27505046
ER
PT J
AU Jasperson, LV
McDougal, RJ
Diky, V
Paulechka, E
Chirico, RD
Kroenlein, K
Iisa, K
Dutta, A
AF Jasperson, Louis V.
McDougal, Rubin J.
Diky, Vladimir
Paulechka, Eugene
Chirico, Robert D.
Kroenlein, Kenneth
Iisa, Kristiina
Dutta, Abhijit
TI Liquid-Liquid Equilibrium Measurements for Model Systems Related to
Catalytic Fast Pyrolysis of Biomass
SO JOURNAL OF CHEMICAL AND ENGINEERING DATA
LA English
DT Article
ID MODIFIED UNIFAC DORTMUND; SCREENING MODEL; COSMO-RS; REAL SOLVENTS;
PERFORMANCE; PREDICTION; SOLVATION; REVISION; OPPORTUNITIES;
HYDROCARBONS
AB We report liquid-liquid mutual solubilities for binary aqueous mixtures involving 2-, 3-, and 4-ethylphenol, 2-, 3-, and 4-methoxyphenol, benzofuran, and 1H-indene for the temperature range (300 < T/K < 360). Measurements in the water rich phase for (2-ethylphenol + water) and (4-ethylphenol + water) were extended to T = 440 K and T = 380 K, respectively, to facilitate comparison with literature values. Liquid liquid equilibrium tie-line determinations were made for four ternary systems involving (water + toluene) mixed with a third component: phenol, 3-ethylphenol, 4-methoxyphenol, or 2,4-dimethylphenol. Literature values at higher temperatures are available for the three (ethylphenol + water) systems, and in general, good agreement is seen. The ternary system (water + toluene + phenol) has been studied previously with inconsistent results reported in the literature, and one report is shown to be anomalous. All systems are modeled with the predictive methods NIST-modified-UNIFAC and NIST-COSMO-SAC, with generally good success (i.e., within 0.05 mole fraction) in the temperature range of interest (300 < T/K < 360). This work is part of a larger project on the testing and development of predictive phase equilibrium models for compound types occurring in catalytic fast,pyrolysis of biomass, and background information for that project is provided.
C1 [Jasperson, Louis V.; McDougal, Rubin J.] Wiltec Res Co, 488 S 500 W, Provo, UT 84601 USA.
[Diky, Vladimir; Paulechka, Eugene; Chirico, Robert D.; Kroenlein, Kenneth] NIST, Thermodynam Res Ctr, Appl Chem & Mat Div, 325 Broadway, Boulder, CO 80305 USA.
[Iisa, Kristiina; Dutta, Abhijit] Natl Renewable Energy Lab, Natl Bioenergy Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA.
RP Jasperson, LV (reprint author), Wiltec Res Co, 488 S 500 W, Provo, UT 84601 USA.; Kroenlein, K (reprint author), NIST, Thermodynam Res Ctr, Appl Chem & Mat Div, 325 Broadway, Boulder, CO 80305 USA.; Dutta, A (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM jasperlv@wiltecresearch.com; kenneth.kroenlein@nist.gov;
abhijit.dutta@nrel.gov
FU U.S. Department of Energy [DE-AC36-08GO28308]; National Renewable Energy
Laboratory; U.S. DOE Office of Energy Efficiency and Renewable Energy,
Bioenergy Technologies Office (BETO)
FX This work was supported by the U.S. Department of Energy under Contract
No. DE-AC36-08GO28308 with the National Renewable Energy Laboratory.
Funding provided by U.S. DOE Office of Energy Efficiency and Renewable
Energy, Bioenergy Technologies Office (BETO).
NR 47
TC 0
Z9 0
U1 9
U2 9
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0021-9568
J9 J CHEM ENG DATA
JI J. Chem. Eng. Data
PD JAN
PY 2017
VL 62
IS 1
BP 243
EP 252
DI 10.1021/acs.jced.6b00625
PG 10
WC Thermodynamics; Chemistry, Multidisciplinary; Engineering, Chemical
SC Thermodynamics; Chemistry; Engineering
GA EH8PR
UT WOS:000392035300028
ER
PT J
AU Koziol, L
Fried, LE
Goldman, N
AF Koziol, Lucas
Fried, Laurence E.
Goldman, Nir
TI Using Force Matching To Determine Reactive Force Fields for Water under
Extreme Thermodynamic Conditions
SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION
LA English
DT Article
ID MOLECULAR-DYNAMICS SIMULATION; AUGMENTED-WAVE METHOD; LIQUID WATER;
BASIS-SET; HYDROCARBONS; CARBON; TEMPERATURE; PRESSURE; REAXFF; METHANE
AB We present a method for the creation of classical force fields for water under dissociative thermodynamic conditions by force matching to molecular dynamics trajectories from Kohn-Sham density functional theory (DFT). We apply our method to liquid water under dissociative conditions, where molecular lifetimes are less than 1 ps, and superionic water, where hydrogen ions diffuse at liquid-like rates through an oxygen lattice. We find that, in general, our new models are capable of accurately reproducing the structural and dynamic properties computed from DFT, as well as the molecular concentrations and lifetimes. Overall, our force-matching approach presents a relatively simple way to create classical reactive force fields for a single thermodynamic state point that largely retains the accuracy of DFT while having the potential to access experimental time and length scales.
C1 [Koziol, Lucas; Fried, Laurence E.; Goldman, Nir] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA.
[Koziol, Lucas] ExxonMobil Res & Engn Co, 1545 Route 22 East, Annandale, NJ 08801 USA.
RP Goldman, N (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA.
EM ngoldman@llnl.gov
FU U.S. Department of Energy [DE-AC52-07NA27344]; Laboratory Directed
Research and Development Program at LLNL [16-LW-020]
FX This work was performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory under Contract
DE-AC52-07NA27344. The project 16-LW-020 was funded by the Laboratory
Directed Research and Development Program at LLNL with N.G. as principal
investigator.
NR 74
TC 0
Z9 0
U1 9
U2 9
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1549-9618
EI 1549-9626
J9 J CHEM THEORY COMPUT
JI J. Chem. Theory Comput.
PD JAN
PY 2017
VL 13
IS 1
BP 135
EP 146
DI 10.1021/acs.jctc.6b00707
PG 12
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA EH6QE
UT WOS:000391898200014
PM 28004938
ER
PT J
AU Ramezani-Dakhel, H
Sadati, M
Rahimi, M
Ramirez-Hernandez, A
Roux, B
de Pablo, JJ
AF Ramezani-Dakhel, Hadi
Sadati, Monirosadat
Rahimi, Mohammad
Ramirez-Hernandez, Abelardo
Roux, Benoit
de Pablo, Juan J.
TI Understanding Atomic-Scale Behavior of Liquid Crystals at Aqueous
Interfaces
SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION
LA English
DT Article
ID MOLECULAR-DYNAMICS SIMULATIONS; NEMATIC FILM; THIN-FILM; SURFACE;
MONOLAYERS; 5CB; POLARIZATION; ORGANIZATION; ORIENTATION; TRANSITION
AB The ordered environment presented by liquid crystals at interfaces enables a range of novel functionalities that is only now beginning to be exploited in applications ranging from light focusing devices to biosensors. One key feature of liquid crystals is that molecular events occurring at an interface propagate over large distances through the bulk. In spite of their importance, our fundamental understanding of liquid crystal-water and liquid crystal-air interfaces remains limited. In this work, we present results from large-scale atomistic molecular dynamics simulations on the organization of the nematic and isotropic phases of the nitrile-containing mesogenic molecule 4-cyano-4'-pentylbiphenyl (5CB) in the vicinity of vacuum and aqueous interfaces. Hybrid boundary conditions are imposed by confining 5CB films between vacuum and an aqueous medium to examine how those two types of interfaces influence the specific structural arrangement and ordering of 5CB. Consistent with experiments, our results indicate that 5CB exhibits homeotropic anchoring at the vacuum interface, and planar alignment at aqueous interfaces. Two-dimensional molecular dynamics potential of mean force calculations and average polarization densities show that the polar nitrile group of 5CB remains hydrated near the aqueous interface, where it modulates the orientation of water molecules. Estimates of the anchoring strength reveal an oscillatory decay and a semilinear decay with distance from the interface in vacuum and water, respectively.
C1 [Ramezani-Dakhel, Hadi; Sadati, Monirosadat; Rahimi, Mohammad; de Pablo, Juan J.] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA.
[Ramezani-Dakhel, Hadi; Roux, Benoit] Univ Chicago, Dept Biochem & Mol Biol, 920 E 58Th St, Chicago, IL 60637 USA.
[Ramirez-Hernandez, Abelardo; de Pablo, Juan J.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP de Pablo, JJ (reprint author), Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA.; Roux, B (reprint author), Univ Chicago, Dept Biochem & Mol Biol, 920 E 58Th St, Chicago, IL 60637 USA.; de Pablo, JJ (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM roux@uchicago.edu; depablo@uchicago.edu
RI Ramirez-Hernandez, Abelardo/A-1717-2011
OI Ramirez-Hernandez, Abelardo/0000-0002-3569-5223
FU NSF [DMR-1410674]; U.S. Army Research Office through the MURI program
[W911NF-15-1-0568]
FX We acknowledge the University of Chicago Research Computing Center (RCC)
for allocation of computing resources. We further acknowledge the
computing resources provided on Blues, a high-performance computing
cluster operated by the Laboratory Computing Resource Center (LCRC) at
Argonne National Laboratory. The large-scale simulations presented in
this work were supported by an NSF grant through DMR-1410674. The
analysis of polarization of liquid crystal interfaces and their effect
in the bulk was supported by the U.S. Army Research Office through the
MURI program (W911NF-15-1-0568). The development of software for
analysis of ultra-large molecular dynamics trajectories was supported by
DOE, Basic Energy Sciences, Materials Science and Engineering, through
MICCoM.
NR 50
TC 1
Z9 1
U1 8
U2 8
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1549-9618
EI 1549-9626
J9 J CHEM THEORY COMPUT
JI J. Chem. Theory Comput.
PD JAN
PY 2017
VL 13
IS 1
BP 237
EP 244
DI 10.1021/acs.jctc.6b00844
PG 8
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA EH6QE
UT WOS:000391898200022
PM 27936703
ER
PT J
AU Angelil, O
Stone, D
Wehner, M
Paciorek, CJ
Krishnan, H
Collins, W
AF Angelil, Oliver
Stone, Daithi
Wehner, Michael
Paciorek, Christopher J.
Krishnan, Harinarayan
Collins, William
TI An Independent Assessment of Anthropogenic Attribution Statements for
Recent Extreme Temperature and Rainfall Events
SO JOURNAL OF CLIMATE
LA English
DT Article
ID CLIMATE-CHANGE; HEAT-WAVE; PRECIPITATION; RECORD; WEATHER; PERSPECTIVE;
CALIFORNIA; EMISSIONS; DROUGHT; CONTEXT
AB The annual "State of the Climate'' report, published in the Bulletin of the American Meteorological Society (BAMS), has included a supplement since 2011 composed of brief analyses of the human influence on recent major extreme weather events. There are now several dozen extreme weather events examined in these supplements, but these studies have all differed in their data sources as well as their approaches to defining the events, analyzing the events, and the consideration of the role of anthropogenic emissions. This study reexamines most of these events using a single analytical approach and a single set of climate model and observational data sources. In response to recent studies recommending the importance of using multiple methods for extreme weather event attribution, results are compared from these analyses to those reported in the BAMS supplements collectively, with the aim of characterizing the degree to which the lack of a common methodological framework may or may not influence overall conclusions. Results are broadly similar to those reported earlier for extreme temperature events but disagree for a number of extreme precipitation events. Based on this, it is advised that the lack of comprehensive uncertainty analysis in recent extreme weather attribution studies is important and should be considered when interpreting results, but as yet it has not introduced a systematic bias across these studies.
C1 [Angelil, Oliver; Stone, Daithi; Wehner, Michael; Krishnan, Harinarayan; Collins, William] Lawrence Berkeley Natl Lab, Berkeley, CA USA.
[Paciorek, Christopher J.] Univ Calif Berkeley, Dept Stat, Berkeley, CA 94720 USA.
RP Angelil, O (reprint author), UNSW Australia, Climate Change Res Ctr, Sydney, NSW 2052, Australia.
EM molofishy@gmail.com
FU Regional and Global Climate Modeling Program of the Office of Biological
and Environmental Research in the Department of Energy Office of Science
[DE-AC02-05CH11231]
FX This work was supported by the Regional and Global Climate Modeling
Program of the Office of Biological and Environmental Research in the
Department of Energy Office of Science under Contract DE-AC02-05CH11231.
Calculations were performed at the National Energy Research
Supercomputing Center (NERSC) at the Lawrence Berkeley National
Laboratory. We thank Chris Funk, Shreyas Cholia, and Prabhat for helpful
discussion.
NR 64
TC 0
Z9 0
U1 10
U2 10
PU AMER METEOROLOGICAL SOC
PI BOSTON
PA 45 BEACON ST, BOSTON, MA 02108-3693 USA
SN 0894-8755
EI 1520-0442
J9 J CLIMATE
JI J. Clim.
PD JAN
PY 2017
VL 30
IS 1
BP 5
EP 16
DI 10.1175/JCLI-D-16-0077.1
PG 12
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA EH6AW
UT WOS:000391855700002
ER
PT J
AU Schiemann, R
Demory, ME
Shaffrey, LC
Strachan, J
Vidale, PL
Mizielinski, MS
Roberts, MJ
Matsueda, M
Wehner, MF
Jung, T
AF Schiemann, Reinhard
Demory, Marie-Estelle
Shaffrey, Len C.
Strachan, Jane
Vidale, Pier Luigi
Mizielinski, Matthew S.
Roberts, Malcolm J.
Matsueda, Mio
Wehner, Michael F.
Jung, Thomas
TI The Resolution Sensitivity of Northern Hemisphere Blocking in Four 25-km
Atmospheric Global Circulation Models
SO JOURNAL OF CLIMATE
LA English
DT Article
ID SEA-SURFACE TEMPERATURE; EURO-ATLANTIC REGION; CLIMATE SIMULATIONS;
PROJECT ATHENA; ECMWF MODEL; BIASES; VARIABILITY; REANALYSIS; SYSTEM;
STREAM
AB The aim of this study is to investigate if the representation of Northern Hemisphere blocking is sensitive to resolution in current-generation atmospheric global circulation models (AGCMs). An evaluation is conducted of how well atmospheric blocking is represented in four AGCMs whose horizontal resolution is increased from a grid spacing of more than 100km to about 25 km. It is shown that Euro-Atlantic blocking is simulated overall more credibly at higher resolution (i.e., in better agreement with a 50-yr reference blocking climatology created from the reanalyses ERA-40 and ERA-Interim). The improvement seen with resolution depends on the season and to some extent on the model considered. Euro-Atlantic blocking is simulated more realistically at higher resolution in winter, spring, and autumn, and robustly so across the model ensemble. The improvement in spring is larger than that in winter and autumn. Summer blocking is found to be better simulated at higher resolution by one model only, with little change seen in the other three models. The representation of Pacific blocking is not found to systematically depend on resolution. Despite the improvements seen with resolution, the 25-km models still exhibit large biases in Euro-Atlantic blocking. For example, three of the four 25-km models underestimate winter northern European blocking frequency by about one-third. The resolution sensitivity and biases in the simulated blocking are shown to be in part associated with the mean-state biases in the models' midlatitude circulation.
C1 [Schiemann, Reinhard; Demory, Marie-Estelle; Shaffrey, Len C.; Strachan, Jane; Vidale, Pier Luigi] Univ Reading, Dept Meteorol, Natl Ctr Atmospher Sci, Earley Gate,POB 243, Reading RG6 6BB, Berks, England.
[Strachan, Jane; Mizielinski, Matthew S.; Roberts, Malcolm J.] Hadley Ctr, Met Off, Exeter, Devon, England.
[Matsueda, Mio] Univ Tsukuba, Ctr Computat Sci, Tsukuba, Ibaraki, Japan.
[Matsueda, Mio] Univ Oxford, Dept Phys, Oxford, England.
[Wehner, Michael F.] Lawrence Berkeley Natl Lab, Berkeley, CA USA.
[Jung, Thomas] European Ctr Medium Range Weather Forecasts, Reading, Berks, England.
[Jung, Thomas] Alfred Wegener Inst, Bremerhaven, Germany.
RP Schiemann, R (reprint author), Univ Reading, Dept Meteorol, Natl Ctr Atmospher Sci, Earley Gate,POB 243, Reading RG6 6BB, Berks, England.
EM r.k.schiemann@reading.ac.uk
RI Jung, Thomas/J-5239-2012
OI Jung, Thomas/0000-0002-2651-1293
FU NERC-Met Office JWCRP HRCM; NCAS Climate [R8/H12/83/001]; Willis Chair
in Climate System Science and Climate Hazards; European Union [641811];
Joint U.K. DECC/DEFRA Met Office Hadley Centre Climate Programme
[GA01101]; National Science Foundation (NSF); NICS; NSF; Ministry of
Education, Culture, Sports, Science and Technology (MEXT) of Japan;
Regional and Global Climate Modeling Program of the Office of Biological
and Environmental Research in the U.S. Department of Energy Office of
Science [DE-AC02-05CH11231]
FX RS acknowledges NERC-Met Office JWCRP HRCM funding. PLV, MED, and JS
acknowledge NCAS Climate Contract R8/H12/83/001 for the High Resolution
Climate Modelling program. PLV (UPSCALE PI) acknowledges the Willis
Chair in Climate System Science and Climate Hazards that supports his
research. The work of LCS was supported by funding from the European
Union's Horizon 2020 research and innovation program under the IMPREX
Grant Agreement 641811. MJR and MSM were supported by the Joint U.K.
DECC/DEFRA Met Office Hadley Centre Climate Programme (GA01101). We
thank the team of model developers and infrastructure experts required
to conduct the large UPSCALE simulation campaign and acknowledge use of
the MONSooN system, a collaborative facility supplied under the JWCRP;
the PRACE infrastructure; the Stuttgart HLRS supercomputing center; and
the STFC CEDA service for data storage and analysis using the JASMIN
platform. The IFS results described herein were obtained during the
2009/10 Athena Project, a computationally intensive project that was
carried out using the Athena supercomputer at the University of
Tennessee's National Institute for Computational Sciences (NICS), under
the auspices of the National Science Foundation (NSF). Support provided
by NICS and the NSF are gratefully acknowledged. The MRI model
integrations were performed using the Earth Simulator under the
framework of the project "Projection of the Change in Future Weather
Extremes using Super-High-Resolution Atmospheric Models" supported by
the SOUSEI programs of the Ministry of Education, Culture, Sports,
Science and Technology (MEXT) of Japan. MFW was supported by the
Regional and Global Climate Modeling Program of the Office of Biological
and Environmental Research in the U.S. Department of Energy Office of
Science under Contract DE-AC02-05CH11231. We thank Olivia
Romppainen-Martius and Daniela Domeisen for discussion.
NR 43
TC 1
Z9 1
U1 1
U2 1
PU AMER METEOROLOGICAL SOC
PI BOSTON
PA 45 BEACON ST, BOSTON, MA 02108-3693 USA
SN 0894-8755
EI 1520-0442
J9 J CLIMATE
JI J. Clim.
PD JAN
PY 2017
VL 30
IS 1
BP 337
EP 358
DI 10.1175/JCLI-D-16-0100.1
PG 22
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA EH6AW
UT WOS:000391855700020
ER
PT J
AU Santer, BD
Solomon, S
Pallotta, G
Mears, C
Po-Chedley, S
Fu, Q
Wentz, F
Zou, CZ
Painter, J
Cvijanovic, I
Bonfils, C
AF Santer, Benjamin D.
Solomon, Susan
Pallotta, Giuliana
Mears, Carl
Po-Chedley, Stephen
Fu, Qiang
Wentz, Frank
Zou, Cheng-Zhi
Painter, Jeffrey
Cvijanovic, Ivana
Bonfils, Celine
TI Comparing Tropospheric Warming in Climate Models and Satellite Data
SO JOURNAL OF CLIMATE
LA English
DT Article
ID MICROWAVE SOUNDING UNIT; OBSERVED TEMPERATURE TRENDS; STRATOSPHERIC
AEROSOL; ATMOSPHERIC-TEMPERATURE; TROPICAL TROPOSPHERE; GLOBAL
TEMPERATURE; NATURAL INFLUENCES; OZONE DEPLETION; DECADAL CHANGES; MSU
CHANNEL-2
AB Updated and improved satellite retrievals of the temperature of the mid-to-upper troposphere (TMT) are used to address key questions about the size and significance of TMT trends, agreement with model-derived TMT values, and whether models and satellite data show similar vertical profiles of warming. A recent study claimed that TMT trends over 1979 and 2015 are 3 times larger in climate models than in satellite data but did not correct for the contribution TMT trends receive from stratospheric cooling. Here, it is shown that the average ratio of modeled and observed TMT trends is sensitive to both satellite data uncertainties and model-data differences in stratospheric cooling. When the impact of lower-stratospheric cooling on TMT is accounted for, and when the most recent versions of satellite datasets are used, the previously claimed ratio of three between simulated and observed near-global TMT trends is reduced to approximately 1.7. Next, the validity of the statement that satellite data show no significant tropospheric warming over the last 18 years is assessed. This claim is not supported by the current analysis: in five out of six corrected satellite TMT records, significant global-scale tropospheric warming has occurred within the last 18 years. Finally, long-standing concerns are examined regarding discrepancies in modeled and observed vertical profiles of warming in the tropical atmosphere. It is shown that amplification of tropical warming between the lower and mid-to-upper troposphere is now in close agreement in the average of 37 climate models and in one updated satellite record.
C1 [Santer, Benjamin D.; Pallotta, Giuliana; Painter, Jeffrey; Cvijanovic, Ivana; Bonfils, Celine] Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA 94550 USA.
[Solomon, Susan] MIT, Earth Atmospher & Planetary Sci, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
[Mears, Carl; Wentz, Frank] Remote Sensing Syst, Santa Rosa, CA USA.
[Po-Chedley, Stephen; Fu, Qiang] Univ Washington, Dept Atmospher Sci, Seattle, WA 98195 USA.
[Zou, Cheng-Zhi] NOAA, NESDIS, Ctr Satellite Applicat & Res, Camp Springs, MD USA.
RP Santer, BD (reprint author), Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA 94550 USA.
EM santer1@llnl.gov
RI Santer, Benjamin/F-9781-2011
FU U.S. Department of Energy [DE-AC52-07NA27344, LDRD14-ERD-095]; DOE/OBER
[SCW1295]; Ellen Swallow Richards Professorship at MIT; UW IGERT Program
on Ocean Change [NSF 1068838]; NASA [NNX13AN49G]; NASA Earth Science
Directorate under the Satellite Calibration Interconsistency Studies
program, NASA [NNH12CF05C]; NOAA [NESDIS-NESDISPO-2009-2001589
(SDS-09-15)]; NOAA/STAR CalVal Program through the Satellite Meteorology
and Climatology Division
FX We acknowledge the World Climate Research Programme's Working Group on
Coupled Modelling, which is responsible for CMIP, and we thank the
climate modeling groups for producing and making available their model
output. For CMIP, the U.S. Department of Energy's Program for Climate
Model Diagnosis and Intercomparison (PCMDI) provides coordinating
support and led development of software infrastructure in partnership
with the Global Organization for Earth System Science Portals. At LLNL,
Philip Cameron-Smith and Paul Durack provided helpful comments, and
Charles Doutriaux and Tony Hoang supplied computational support. Work at
LLNL was performed under the auspices of the U.S. Department of Energy
under Contract DE-AC52-07NA27344 (B.D.S. and J.P.) and under
LDRD14-ERD-095 (B.D.S. and G.P.); C.B. and I.C. were supported by the
DOE/OBER Early Career Research Program Award SCW1295. Outside of LLNL,
support was provided by the Ellen Swallow Richards Professorship at MIT
(S.S.); the UW IGERT Program on Ocean Change, NSF 1068838 (S.P-C.); NASA
Grant NNX13AN49G (Q.F.); the NASA Earth Science Directorate under the
Satellite Calibration Interconsistency Studies program, NASA Grant
NNH12CF05C (C.M. and F.J.W.); and NOAA Grant
NESDIS-NESDISPO-2009-2001589 (SDS-09-15) and the NOAA/STAR CalVal
Program through the Satellite Meteorology and Climatology Division
(C-Z.Z).
NR 87
TC 0
Z9 0
U1 5
U2 5
PU AMER METEOROLOGICAL SOC
PI BOSTON
PA 45 BEACON ST, BOSTON, MA 02108-3693 USA
SN 0894-8755
EI 1520-0442
J9 J CLIMATE
JI J. Clim.
PD JAN
PY 2017
VL 30
IS 1
BP 373
EP 392
DI 10.1175/JCLI-D-16-0333.1
PG 20
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA EH6AW
UT WOS:000391855700022
ER
PT J
AU Adak, S
Hartl, M
Daemen, L
Fohtung, E
Nakotte, H
AF Adak, S.
Hartl, M.
Daemen, L.
Fohtung, E.
Nakotte, H.
TI Study of oxidation states of the transition metals in a series of
Prussian blue analogs using x-ray absorption near edge structure (XANES)
spectroscopy
SO JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA
LA English
DT Article
DE XANES; Oxidation states; Prussian blue analogs; Hexacyanometallates
ID THERMAL-EXPANSION; FINE-STRUCTURE; K-EDGE; COMPLEXES; SPECTRA; COPPER;
MECHANISM; SYSTEM; COBALT; XAS
AB There have been renewed interests in metal-organic framework classes of materials such as Prussian blue analogues (PBAs) due to their potential usage in energy storage applications. In particular, due to their high surface areas, controllable structures and excellent electrochemical properties, PBAs such as hexacyanometalates M-3(II)[A(III)(CN)(6)]2(*).nH(2)O (M=Mn, Fe, Co, Ni, Cu, Zn; A = Co, Fe, Cr; n= no. of water molecules present), M-2(II)[Fe-II(CN)(6)]2(*).nH(2)O (M=Mn, Co, Ni, Cu, Zn) and mixed hexacyanometalates(III) (Fe1-XCox)(3)[B-III(CN)(6)](2.)nH(2)O (x=0.25, 0.5, 0.75; B= Co, Fe) could have possible usage as a new class of cathode and even anode materials for rechargeable batteries. Detailed knowledge of the oxidation states of the transition metals in PBAs is required to improve efficiency and durability of such devices. Furthermore, a link between the thermal expansion observed in these materials and the oxidation state of the transition metal is of interest to synthesize materials with a desired thermal expansion behavior, Here we demonstrate the use of Synchrotron based X-ray absorption near-edge structure (XANES) spectra to identify transition metal oxidation states. Our analysis reveals the presence of divalent, trivalent and/or mixed valence transition metals in the materials as well as high-spin and low-spin complexes. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Adak, S.; Fohtung, E.; Nakotte, H.] New Mexico State Univ, Dept Phys, Las Cruces, NM 88003 USA.
[Hartl, M.] European Spallat Source ESS AB, S-22100 Lund, Sweden.
[Daemen, L.] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37830 USA.
[Hartl, M.; Daemen, L.] Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr LANSCE LC, Los Alamos, NM 87545 USA.
RP Hartl, M (reprint author), European Spallat Source ESS ERIC, S-22100 Lund, Sweden.
EM monika.hartl@esss.se
OI Fohtung, Edwin/0000-0001-5598-0446
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-06CH11357]; Department of Energy's (DOE) Office of
Basic Energy Sciences; DOE Office of Basic Energy Sciences; Los Alamos
National Security, LLC, under DOE Contract [DE-AC52-06NA2539]
FX This work has benefitted from the use of Advanced Photon Source at
Argonne National Laboratory which is supported by the U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences, under
Contract No. DE-AC02-06CH11357. We would like to thank Dr. Trudy Bolin
for her help with experiments at the 9-BM-B beamline at Advanced Photon
Source. This research work has been supported by Department of Energy's
(DOE) Office of Basic Energy Sciences and has made use of Manuel Lujan,
Jr. Neutron Scattering Center at Los Alamos National Laboratory which is
funded by DOE Office of Basic Energy Sciences. Los Alamos National
Laboratory is operated by Los Alamos National Security, LLC, under DOE
Contract DE-AC52-06NA2539.
NR 40
TC 0
Z9 0
U1 19
U2 19
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0368-2048
EI 1873-2526
J9 J ELECTRON SPECTROSC
JI J. Electron Spectrosc. Relat. Phenom.
PD JAN
PY 2017
VL 214
BP 8
EP 19
DI 10.1016/j.elspec.2016.11.011
PG 12
WC Spectroscopy
SC Spectroscopy
GA EH8QP
UT WOS:000392037700002
ER
PT J
AU Moser, S
AF Moser, Simon
TI An experimentalist's guide to the matrix element in angle resolved
photoemission
SO JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA
LA English
DT Review
DE ARPES; Intensity distribution; Matrix elements; Dichroism; Fourier
transform; Tight binding
ID X-RAY PHOTOEMISSION; LOCALIZED WANNIER FUNCTIONS; BULK
ELECTRONIC-STRUCTURE; TIGHT-BINDING MODEL; SINGLE DIRAC CONE; MEAN FREE
PATHS; PHOTOELECTRON-SPECTROSCOPY; TOPOLOGICAL-INSULATOR;
CIRCULAR-DICHROISM; SYNCHROTRON-RADIATION
AB Angle resolved photoemission spectroscopy (ARPES) is commonly known as a powerful probe of the one-electron removal spectral function in ordered solid state. With increasing efficiency of light sources and spectrometers, experiments over a wide range of emission angles become more and more common. Consequently, the angular variation of ARPES spectral weight - often times termed "matrix element effect"- enters as an additional source of information. In this tutorial, we develop a simple but instructive free electron final state approach based on the three-step model to describe the intensity distribution in ARPES. We find a compact expression showing that the ARPES spectral weight of a given Bloch band is essentially determined by the momentum distribution (the Fourier transform) of its associated Wannier orbital - times a polarization dependent pre-factor. While the former is giving direct information on the symmetry and shape of the electronic wave function, the latter can give rise to surprising geometric effects. We discuss a variety of modern and instructive experimental showcases for which this simplistic formalism works astonishingly well and discuss the limits of this approach. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Moser, Simon] Adv Light Source, Berkeley, CA 94720 USA.
[Moser, Simon] Ecole Polytech Fed Lausanne, Inst Phys IPHYS, CH-1015 Lausanne, Switzerland.
RP Moser, S (reprint author), Adv Light Source, Berkeley, CA 94720 USA.
EM skmoser@lbl.gov
FU Swiss National Science Foundation [P2ELP2-155357]; Office of Science,
Office of Basic Energy Sciences, of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX I would like to thank Hendrik Bentmann, Mona Berciu, Silke Biermann,
Aaron Bostwick, Ashish Chainani, Young Jun Chang, Federico Cilento,
Ralph Claessen, Alberto Crepaldi, Chuck Fadley, Sara Fatale, Emmanouil
Frantzeskakis, Martin Graus, Michael Greif, Marco Grioni, Yoshihisa
Harada, Karsten Horn, Jens Johannsen, Beomyoung Kim, Roland Koch, Peter
Kruger, Mathieu Leclerc, Jose Lorenzana, Chris Jozwiak, Peter Lutz,
Henriette Maass, Daniel Malterre, Giulia Manzoni, Andrea Marini, Luca
Moreschini, Ngoc Linh Nguyen, Yusuke Nomura, Luca Perfetti, Fulvio
Parmigiani, Friedel Reinert, Tobias Rodel, Victor Rogalev, Eli
Rotenberg, Andres Santander-Syro, Achim Scholl, Daniel Schwarz, Denys
Sutter, Cedric Tournier-Colletta, Soren Ulstrup, Guillaume Vasseur and
HyangKeun Yoo for many helpful discussions and lots of constructive
feedback on this topic. This research was supported by the Swiss
National Science Foundation, in particular through Grant No.
P2ELP2-155357. The Advanced Light Source is supported by the Director,
Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy under Contract No. DE-AC02-05CH11231.
NR 227
TC 0
Z9 0
U1 13
U2 13
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0368-2048
EI 1873-2526
J9 J ELECTRON SPECTROSC
JI J. Electron Spectrosc. Relat. Phenom.
PD JAN
PY 2017
VL 214
BP 29
EP 52
DI 10.1016/j.elspec.2016.11.007
PG 24
WC Spectroscopy
SC Spectroscopy
GA EH8QP
UT WOS:000392037700004
ER
PT J
AU Chumbley, S
Zhang, S
Morris, M
Spotts, R
Macziewski, C
AF Chumbley, Scott
Zhang, Song
Morris, Max
Spotts, Ryan
Macziewski, Chad
TI Development of a Mobile Toolmark Characterization/Comparison System
SO JOURNAL OF FORENSIC SCIENCES
LA English
DT Article
DE forensic science; toolmarks; portable prototype; quantitative
measurements; statistical comparisons; optical profilometer
ID VIRTUAL TOOL
AB Since the development of the striagraph, various attempts have been made to enhance forensic investigation through the use of measuring and imaging equipment. This study describes the development of a prototype system employing an easy-to-use software interface designed to provide forensic examiners with the ability to measure topography of a toolmarked surface and then conduct various comparisons using a statistical algorithm. Acquisition of the data is carried out using a portable 3D optical profilometer, and comparison of the resulting data files is made using software named "MANTIS" (Mark and Tool Inspection Suite). The system has been tested on laboratory-produced markings that include fully striated marks (e.g., screwdriver markings), quasistriated markings produced by shear-cut pliers, impression marks left by chisels, rifling marks on bullets, and cut marks produced by knives. Using the system, an examiner has the potential to (i) visually compare two toolmarked surfaces in a manner similar to a comparison microscope and (ii) use the quantitative information embedded within the acquired data to obtain an objective statistical comparison of the data files. This study shows that, based on the results from laboratory samples, the system has great potential for aiding examiners in conducting comparisons of toolmarks.
C1 [Chumbley, Scott; Zhang, Song; Morris, Max; Spotts, Ryan; Macziewski, Chad] Iowa State Univ, Ames Lab, 2220 Hoover, Ames, IA 50011 USA.
[Zhang, Song] Purdue Univ, 585 Purdue Mall, W Lafayette, IN 47907 USA.
[Spotts, Ryan] 1110 E Lincolnway, La Porte, IN 46350 USA.
RP Chumbley, S (reprint author), Iowa State Univ, Mat Sci & Engn, 214 Wilhelm, Ames, IA 50011 USA.
EM chumbley@iastate.edu
FU U.S. Department of Energy [DE-AC02-07CH11358]
FX The authors are grateful to Mr. James Kreiser who provided many of the
samples examined during the development of the prototype as well as
technical advice. The authors are also grateful to Mr. Aaron Brudenell
for testing the system on bullet and samples and knife cuts. The
research was performed at the Ames Laboratory. Ames Laboratory is
operated for the U.S. Department of Energy by Iowa State University
under Contract No. DE-AC02-07CH11358.
NR 18
TC 0
Z9 0
U1 1
U2 1
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0022-1198
EI 1556-4029
J9 J FORENSIC SCI
JI J. Forensic Sci.
PD JAN
PY 2017
VL 62
IS 1
BP 83
EP 91
DI 10.1111/1556-4029.13233
PG 9
WC Medicine, Legal
SC Legal Medicine
GA EH7KU
UT WOS:000391952600010
PM 27864946
ER
PT J
AU Berman, GP
Nesterov, AI
Gurvitz, S
Sayre, RT
AF Berman, Gennady P.
Nesterov, Alexander I.
Gurvitz, Shmuel
Sayre, Richard T.
TI Possible role of interference, protein noise, and sink effects in
nonphotochemical quenching in photosynthetic complexes
SO JOURNAL OF MATHEMATICAL BIOLOGY
LA English
DT Article
DE Non-Hermitian Hamiltonian; Photosynthetic complexes; Electron transfer;
Noise; Sink
ID LIGHT-HARVESTING COMPLEX; CHARGE-TRANSFER STATE; PHOTOSYSTEM-II;
ENERGY-TRANSFER; CHLOROPHYLL FLUORESCENCE; QUANTUM COHERENCE;
ELECTRON-TRANSFER; GREEN PLANTS; KINETIC-MODEL; PHYSIOLOGICAL
TEMPERATURE
AB We analyze theoretically a simple and consistent quantum mechanical model that reveals the possible role of quantum interference, protein noise, and sink effects in the nonphotochemical quenching (NPQ) in light-harvesting complexes (LHCs). The model consists of a network of five interconnected sites (excitonic states of light-sensitive molecules) responsible for the NPQ mechanism. The model also includes the "damaging" and the dissipative channels. The damaging channel is responsible for production of singlet oxygen and other destructive outcomes. In our model, both damaging and "dissipative" charge transfer channels are described by discrete electron energy levels attached to their sinks, that mimic the continuum part of electron energy spectrum. All five excitonic sites interact with the protein environment that is modeled using a stochastic process. Our approach allowed us to derive the exact and closed system of linear ordinary differential equations for the reduced density matrix and its first momentums. These equations are solved numerically including for strong interactions between the light-sensitive molecules and protein environment. As an example, we apply our model to demonstrate possible contributions of quantum interference, protein noise, and sink effects in the NPQ mechanism in the CP29 minor LHC. The numerical simulations show that using proper combination of quantum interference effects, properties of noise, and sinks, one can significantly suppress the damaging channel. Our findings demonstrate the possible role of interference, protein noise, and sink effects for modeling, engineering, and optimizing the performance of the NPQ processes in both natural and artificial light-harvesting complexes.
C1 [Berman, Gennady P.; Sayre, Richard T.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA.
[Berman, Gennady P.; Sayre, Richard T.] New Mexican Consortium, Los Alamos, NM 87544 USA.
[Nesterov, Alexander I.] Univ Guadalajara, CUCEI, Dept Fis, Av Revoluc 1500, Guadalajara 44420, Jalisco, Mexico.
[Gurvitz, Shmuel] Weizmann Inst Sci, Dept Particle Phys & Astrophys, IL-76100 Rehovot, Israel.
RP Nesterov, AI (reprint author), Univ Guadalajara, CUCEI, Dept Fis, Av Revoluc 1500, Guadalajara 44420, Jalisco, Mexico.
EM nesterov@cencar.udg.mx
OI Sayre, Richard/0000-0002-3153-7084
FU National Nuclear Security Administration of the US Department of Energy
at Los Alamos National Laboratory [DE-AC52-06NA25396]; CONACyT [15349];
Israel Science Foundation [711091]; LDRD program at LANL
FX This work was carried out under the auspices of the National Nuclear
Security Administration of the US Department of Energy at Los Alamos
National Laboratory under Contract No. DE-AC52-06NA25396. We thank Gary
Doolen for useful remarks. AIN acknowledges the support from the
CONACyT, Grant No. 15349, and a partial support during his visit to the
CNLS and the Biology Division, B-11, at LANL. SG acknowledges the
support from the Israel Science Foundation under Grant No. 711091. GPB
and RTS acknowledge support from the LDRD program at LANL.
NR 108
TC 0
Z9 0
U1 2
U2 2
PU SPRINGER HEIDELBERG
PI HEIDELBERG
PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY
SN 0303-6812
EI 1432-1416
J9 J MATH BIOL
JI J. Math. Biol.
PD JAN
PY 2017
VL 74
IS 1-2
BP 43
EP 76
DI 10.1007/s00285-016-1016-2
PG 34
WC Biology; Mathematical & Computational Biology
SC Life Sciences & Biomedicine - Other Topics; Mathematical & Computational
Biology
GA EG9NH
UT WOS:000391385200003
PM 27139803
ER
PT J
AU Barnard, E
Li, HY
AF Barnard, Emma
Li, Huiying
TI Shaping of cutaneous function by encounters with commensals
SO JOURNAL OF PHYSIOLOGY-LONDON
LA English
DT Review
ID HUMAN SKIN MICROBIOME; PROPIONIBACTERIUM-ACNES BIOFILMS;
STAPHYLOCOCCUS-EPIDERMIDIS; ATOPIC-DERMATITIS; BACTERIAL COMMUNITIES;
PSORIATIC LESIONS; PSEUDOMONAS-AERUGINOSA; BACTERIOPHAGE THERAPY;
MOLECULAR ANALYSIS; FUNGAL MICROBIOTA
AB The skin is the largest organ in the human body and provides the first line of defence against environmental attack and pathogen invasion. It harbor multiple commensal microbial communities at different body sites, which play important roles in sensing the environment, protecting against colonization and infection of pathogens, and guiding the host immune system in response to foreign invasions. The skinmicrobiome is largely variable between individuals and body sites, with several core commensal members commonly shared among individuals at the healthy state. These microbial commensals are essential to skin health and can potentially lead to disease when their abundances and activities change due to alterations in the environment or in the host. While recent advances in sequencing technologies have enabled a large number of studies to characterize the taxonomic composition of the skin microbiome at various body sites and under different physiological conditions, we have limited understanding of themicrobiome composition and dynamics at the strain level, which is highly important to many microbe-related diseases. Functional studies of the skin microbial communities and the interactions among community members and with the host are currently scant, warranting future investigations. In this review, we summarize the recent findings on the skin microbiome, highlighting the roles of the major commensals, including bacteria, fungi and bacteriophages, inmodulating skin functions in health and disease. Functional studies of the skin microbiota at the metatranscriptomic and proteomic levels are also included to illustrate the interactions between the microbiota and the host skin.
C1 [Barnard, Emma; Li, Huiying] Univ Calif Los Angeles, David Geffen Sch Med, Crump Inst Mol Imaging, Dept Mol & Med Pharmacol, Los Angeles, CA 90095 USA.
[Li, Huiying] Univ Calif Los Angeles, DOE Inst Genom & Prote, Los Angeles, CA USA.
RP Li, HY (reprint author), Univ Calif Los Angeles, David Geffen Sch Med, Dept Mol & Med Pharmacol, Crump Inst Mol Imaging,DOE Inst Genom & Prote, Los Angeles, CA 90095 USA.
EM huiying@mednet.ucla.edu
FU NIH from the National Institute of General Medical Sciences (NIGMS)
[R01GM099530]
FX This work is funded by NIH grant R01GM099530 from the National Institute
of General Medical Sciences (NIGMS).
NR 125
TC 3
Z9 3
U1 7
U2 7
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0022-3751
EI 1469-7793
J9 J PHYSIOL-LONDON
JI J. Physiol.-London
PD JAN
PY 2017
VL 595
IS 2
BP 437
EP 450
DI 10.1113/JP271638
PG 14
WC Neurosciences; Physiology
SC Neurosciences & Neurology; Physiology
GA EH8LS
UT WOS:000392024100006
PM 26988937
ER
PT J
AU Fu, R
Wang, CJ
Munoz, O
Videen, G
Santarpia, JL
Pan, YL
AF Fu, Richard
Wang, Chuji
Munoz, Olga
Videen, Gorden
Santarpia, Joshua L.
Pan, Yong-Le
TI Elastic back-scattering patterns via particle surface roughness and
orientation from single trapped airborne aerosol particles
SO JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER
LA English
DT Article
DE Elastic backscattering pattern; Laser trapping; Single airborne
particle; Surface roughness; Image monitoring
ID ANGULAR OPTICAL-SCATTERING; LIGHT-SCATTERING; DEFORMED DROPLETS; SIZE;
POLARIZATION; INCLUSIONS; CELLS
AB We demonstrate a method for simultaneously measuring the back-scattering patterns and images of single laser-trapped airborne aerosol particles. This arrangement allows us to observe how the back-scattering patterns change with particle size, shape, surface roughness, orientation, etc. The recoded scattering patterns cover the angular ranges of theta=167.7-180 degrees (including at 180 exactly) and phi=0-360 degrees in spherical coordinates. The patterns show that the width of the average speckle intensity islands or rings is inversely proportional to particle size and how the shape of these intensity rings or islands also depends on the surface roughness. For an irregularly shaped particle with substantial roughness, the back-scattering patterns are formed with speckle intensity islands, the size and orientations of these islands depend more on the overall particle size and orientation, but have less relevance to the fine alteration of the surface structure and shapes. The back scattering intensity at 180 is very sensitive to the particle parameters. It can change from a maximum to a minimum with a change of 0.1% in particle size or refractive index. The method has potential use in characterizing airborne aerosol particles, and may be used to provide back-scattering information for LIDAR applications. Published by Elsevier Ltd.
C1 [Fu, Richard; Videen, Gorden; Pan, Yong-Le] Army Res Lab, 2800 Powder Mill Rd, Adelphi, MD 20783 USA.
[Wang, Chuji] Mississippi State Univ, Dept Phys & Astron, Starkville, MS 39759 USA.
[Munoz, Olga] CSIC, Inst Astrofis Andalucia, Glorieta Astron S-N, Granada 18008, Spain.
[Santarpia, Joshua L.] Sandia Natl Labs, Albuquerque, NM 87123 USA.
RP Pan, YL (reprint author), Army Res Lab, 2800 Powder Mill Rd, Adelphi, MD 20783 USA.
EM yongle.pan.civ@mail.mil
FU Defense Threat Reduction Agency [HDTRS1518237, HDTRA1619734]; US Army
Research Laboratory mission funds
FX Defense Threat Reduction Agency (HDTRS1518237, HDTRA1619734); US Army
Research Laboratory mission funds.
NR 36
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PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0022-4073
EI 1879-1352
J9 J QUANT SPECTROSC RA
JI J. Quant. Spectrosc. Radiat. Transf.
PD JAN
PY 2017
VL 187
BP 224
EP 231
DI 10.1016/j.jqsrt.2016.09.018
PG 8
WC Optics; Spectroscopy
SC Optics; Spectroscopy
GA EH6QP
UT WOS:000391899300022
ER
PT J
AU Lu, J
Hill, KW
Bitter, M
Pablant, NA
Delgado-Aparicio, LF
Efthimion, PC
Lee, HJ
Zastrau, U
AF Lu, J.
Hill, K. W.
Bitter, M.
Pablant, N. A.
Delgado-Aparicio, L. F.
Efthimion, P. C.
Lee, H. J.
Zastrau, U.
TI Characterization of x-ray imaging crystal spectrometer for
high-resolution spatially-resolved x-ray Thomson scattering measurements
in shock-compressed experiments
SO JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER
LA English
DT Article
DE X-ray spectrometer; X-ray Thomson scattering; Warm dense matter; High
resolving power
ID DENSE MATTER; SPECTRAL-RESOLUTION; PYROLYTIC-GRAPHITE; PLASMAS
AB We have proposed, designed and built a dual-channel x-ray imaging crystal spectrometer (XICS) for spectrally- and spatially-resolved x-ray Thomson scattering (XRTS) measurements in the Matter in Extreme Conditions (MEC) end station at the Linac Coherent Light Source (LCLS). This spectrometer employs two spherically-bent germanium (Ge) 220 crystals, which are combined to form a large aperture dispersive element with a spectral bandwidth of similar to 300 eV that enables both the elastic and inelastic x-ray scattering peaks to be simultaneously measured. The apparatus and its characterization are described. A resolving power of similar to 1900 was demonstrated and a spatial resolution of 12 mu m was achieved in calibration tests. For XRTS measurements, a narrow-bandwidth (Delta E/E < 0.003) LCLS x-ray free electron laser (XFEL) beam at 5.07 keV was used to probe a dense carbon plasma produced in shock-compressed samples of different forms of carbon. Preliminary results of the scattering experiments from Pyrolytic Graphite samples that illustrate the utility of the instrument are presented. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Lu, J.] Inst Nucl Phys & Chem, Mianyang 621999, Sichuan, Peoples R China.
[Lu, J.] Chongqing Univ, Key Lab Optoelect Technol & Syst, Minist Educ, Chongqing 400030, Peoples R China.
[Hill, K. W.; Bitter, M.; Pablant, N. A.; Delgado-Aparicio, L. F.; Efthimion, P. C.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
[Lee, H. J.; Zastrau, U.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA.
[Zastrau, U.] Friedrich Schiller Univ Jena, IOQ, Max Wien Pl 1, D-07743 Jena, Germany.
RP Lu, J (reprint author), Inst Nucl Phys & Chem, Mianyang 621999, Sichuan, Peoples R China.
EM jianlu1003@Gmail.com
FU (U.S.) Department of Energy (DOE) by Princeton Plasma Physics Laboratory
(PPPL) [DE-AC02-09CH-11466]
FX This work was performed under the auspices of the (U.S.) Department of
Energy (DOE) by Princeton Plasma Physics Laboratory (PPPL) under
Contract no. DE-AC02-09CH-11466. Ulf Zastrau in SLAC is a
Peter-Paul-Ewald-Fellow of the Vokswagen Foundation.
NR 39
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0022-4073
EI 1879-1352
J9 J QUANT SPECTROSC RA
JI J. Quant. Spectrosc. Radiat. Transf.
PD JAN
PY 2017
VL 187
BP 247
EP 254
DI 10.1016/j.jqsrt.2016.10.001
PG 8
WC Optics; Spectroscopy
SC Optics; Spectroscopy
GA EH6QP
UT WOS:000391899300024
ER
PT J
AU Haut, TS
Ahrens, C
Jonko, A
Lowrie, R
Till, A
AF Haut, T. S.
Ahrens, C.
Jonko, A.
Lowrie, R.
Till, A.
TI A new multigroup method for cross-sections that vary rapidly in energy
SO JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER
LA English
DT Article
ID RADIATIVE-TRANSFER; HOMOGENIZATION; ATMOSPHERES
AB We present a numerical method for solving the time-independent thermal radiative transfer (TRT) equation or the neutron transport (NT) equation when the opacity (cross-section) varies rapidly in frequency (energy) on the microscale epsilon; epsilon corresponds to the characteristic spacing between absorption lines or resonances, and is much smaller than the macroscopic frequency (energy) variation of interest. The approach is based on a rigorous homogenization of the TRT/NT equation in the frequency (energy) variable. Discretization of the homogenized TRT/NT equation results in a multigroup-type system, and can therefore be solved by standard methods.
We demonstrate the accuracy and efficiency of the approach on three model problems. First we consider the Elsasser band model with constant temperature and a line spacing e = 10(-4). Second, we consider a neutron transport application for fast neutrons incident on iron, where the characteristic resonance spacing epsilon necessitates approximate to 16, 000 energy discretization parameters if Planck-weighted cross sections are used. Third, we consider an atmospheric TRT problem for an opacity corresponding to water vapor over a frequency range 1000-2000 cm(-1), where we take 12 homogeneous layers between 115 km, and temperature/pressure values in each layer from the standard US atmosphere. For all three problems, we demonstrate that we can achieve between 0.1 and 1 percent relative error in the solution, and with several orders of magnitude fewer parameters than a standard multigroup formulation using Planck-weighted (source-weighted) opacities for a comparable accuracy. Published by Elsevier Ltd.
C1 [Haut, T. S.; Ahrens, C.; Jonko, A.; Lowrie, R.; Till, A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Haut, TS (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM terryhaut@gmail.com
OI Jonko, Alexandra/0000-0001-6026-5527
NR 18
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PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0022-4073
EI 1879-1352
J9 J QUANT SPECTROSC RA
JI J. Quant. Spectrosc. Radiat. Transf.
PD JAN
PY 2017
VL 187
BP 461
EP 471
DI 10.1016/j.jqsrt.2016.10.019
PG 11
WC Optics; Spectroscopy
SC Optics; Spectroscopy
GA EH6QP
UT WOS:000391899300043
ER
PT J
AU Tamasi, AL
Cash, LJ
Mullen, WT
Pugmire, AL
Ross, AR
Ruggiero, CE
Scott, BL
Wagner, GL
Walensky, JR
Wilkerson, MP
AF Tamasi, Alison L.
Cash, Leigh J.
Mullen, William Tyler
Pugmire, Alison L.
Ross, Amy R.
Ruggiero, Christy E.
Scott, Brian L.
Wagner, Gregory L.
Walensky, Justin R.
Wilkerson, Marianne P.
TI Morphology of U3O8 materials following storage under controlled
conditions of temperature and relative humidity
SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
LA English
DT Article
DE Chemical speciation; Morphology; Nuclear forensics; Scanning electron
microscopy; U3O8; Uranium oxide
ID URANIUM-DIOXIDE; AMMONIUM DIURANATE; NUCLEAR FORENSICS; POWDER;
PRECIPITATION; GROWTH; UO2; PARAMETERS; PARTICLES; HYDRATION
AB Changes in the visual characteristics of uranium oxide surfaces and morphology following storage under different conditions of temperature and relative humidity may provide insight into the history of an unknown sample. Sub-samples of three alpha-U3O8 materials-one that was phase-pure and two that were phase-impure-were stored under controlled conditions for two years. Scanning electron microscopy was used to image the oxides before and after storage, and a morphology lexicon was used to characterize the images. Temporal changes in morphology were observed in some sub-samples, and changes were greatest following exposure to high relative humidity.
C1 [Tamasi, Alison L.; Cash, Leigh J.; Mullen, William Tyler; Pugmire, Alison L.; Ross, Amy R.; Ruggiero, Christy E.; Scott, Brian L.; Wagner, Gregory L.; Wilkerson, Marianne P.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
[Tamasi, Alison L.; Walensky, Justin R.] Univ Missouri, Dept Chem, Columbia, MO 65211 USA.
RP Wilkerson, MP (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM mpw@lanl.gov
RI Scott, Brian/D-8995-2017;
OI Scott, Brian/0000-0003-0468-5396; Wilkerson,
Marianne/0000-0001-8540-0465
FU U.S. Department of Homeland Security, Domestic Nuclear Detection Office,
Transformational and Applied Research Directorate and National Technical
Nuclear Forensics Center [IAA HSHQDC-13-X-00269, HDHQDC-08-X-00805];
U.S. Department of Homeland Security [2012-DN-130-NF001-02]; Seaborg
Institute; University of Missouri U.S. Department of Homeland Security
[2012-DN-130-NF001-02]; National Nuclear Security Administration of U.S.
Department of Energy [DE-AC52-06NA25396]
FX This work has been supported by the U.S. Department of Homeland
Security, Domestic Nuclear Detection Office, Transformational and
Applied Research Directorate and National Technical Nuclear Forensics
Center, under competitively awarded contracts IAA HSHQDC-13-X-00269 and
under HDHQDC-08-X-00805. ALT gratefully acknowledges the U.S. Department
of Homeland Security under Grant Award Number, 2012-DN-130-NF001-02, the
Seaborg Institute, and the University of Missouri for providing funding
to perform this work. J.R.W.'s contribution to this material is based
upon work supported by the U.S. Department of Homeland Security under
Grant Award Number, 2012-DN-130-NF001-02. The views and conclusions
contained in this document are those of the authors and should not be
interpreted as necessarily representing the official policies, either
expressed or implied, of the U.S. Department of Homeland Security or the
Government. Los Alamos National Laboratory is operated by Los Alamos
National Security, LLC, for the National Nuclear Security Administration
of U.S. Department of Energy (contract DE-AC52-06NA25396). The authors
declare no competing financial interests. LA-UR-16-21674.
NR 26
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PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0236-5731
EI 1588-2780
J9 J RADIOANAL NUCL CH
JI J. Radioanal. Nucl. Chem.
PD JAN
PY 2017
VL 311
IS 1
BP 35
EP 42
DI 10.1007/s10967-016-4923-1
PG 8
WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science &
Technology
SC Chemistry; Nuclear Science & Technology
GA EH9ET
UT WOS:000392075200005
ER
PT J
AU Bene, BJ
Taylor, WA
Birnbaum, ER
Sudowe, R
AF Bene, Balazs J.
Taylor, Wayne A.
Birnbaum, Eva R.
Sudowe, Ralf
TI Chromatographic separation of thulium from erbium for neutron capture
cross section measurements-Part II: Preparative scale separation
SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
LA English
DT Article
DE Tm-171; Lanthanide separation; Thulium; Erbium; Preparative HPLC; Cation
exchange chromatography
ID LANTHANIDES; TARGET; HPLC
AB This paper discusses the development of a separation method for isolation of Tm-171 from a half-gram irradiated erbium target in support of stockpile stewardship and astrophysics research. The developed procedure is based on cation exchange separation using alpha-hydroxyisobutyric acid (alpha-HIBA) as chelating agent. It is able to achieve either a decontamination factor of 1.4(4) x 10(5) with 68.9(3) % recovery or 95.4(3) % recovery with a decontamination factor of 5.82(7) x 10(3) for a mock 500-mg target containing 17.9 mg thulium in a single pass-through at room temperature.
C1 [Bene, Balazs J.; Sudowe, Ralf] Univ Nevada, Radiochem Program, 4505 S Maryland Pkwy,Box 454009, Las Vegas, NV 89154 USA.
[Bene, Balazs J.; Taylor, Wayne A.; Birnbaum, Eva R.] Los Alamos Natl Lab, MS J975,POB 1663, Los Alamos, NM 87545 USA.
RP Bene, BJ (reprint author), Univ Nevada, Radiochem Program, 4505 S Maryland Pkwy,Box 454009, Las Vegas, NV 89154 USA.; Bene, BJ (reprint author), Los Alamos Natl Lab, MS J975,POB 1663, Los Alamos, NM 87545 USA.
EM balazs.bene@unlv.edu
FU National Nuclear Security Administration Stewardship Science Academic
Alliances Program [DEFG52-10NA29658]; United States Department of Energy
Office of Science via the Isotope Development and Production for
Research and Applications subprogram in the Office of Nuclear Physics;
Seaborg Institute for Transactinium Science through the Seaborg Summer
Research Fellowship [LA-UR-16-22041]
FX The authors would like to thank Kenneth R. Ashley and Scott M. Bowen for
their advice and sharing their extensive experience in lanthanide
separations as well as David J. Vieira, Todd A. Bredeweg, Kevin D. John
and Mary Turner for their support. This work was funded by the National
Nuclear Security Administration Stewardship Science Academic Alliances
Program under grant DEFG52-10NA29658, the United States Department of
Energy Office of Science via the Isotope Development and Production for
Research and Applications subprogram in the Office of Nuclear Physics
and by the Seaborg Institute for Transactinium Science through the
Seaborg Summer Research Fellowship. LA-UR-16-22041.
NR 23
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PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0236-5731
EI 1588-2780
J9 J RADIOANAL NUCL CH
JI J. Radioanal. Nucl. Chem.
PD JAN
PY 2017
VL 311
IS 1
BP 155
EP 163
DI 10.1007/s10967-016-4889-z
PG 9
WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science &
Technology
SC Chemistry; Nuclear Science & Technology
GA EH9ET
UT WOS:000392075200016
ER
PT J
AU Gharibyan, N
Bene, BJ
Sudowe, R
AF Gharibyan, N.
Bene, B. J.
Sudowe, R.
TI Chromatographic separation of thulium from erbium for neutron capture
cross section measurements-Part I: Trace scale optimization of ion
chromatography method with various complexing agents
SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
LA English
DT Article
DE Thulium; Erbium; Ion chromatography separation; Hydroxyisobutyric acid
ID PERFORMANCE LIQUID-CHROMATOGRAPHY; RARE-EARTH-ELEMENTS; HIGH-PURITY;
LANTHANIDES; EXCHANGE; ACIDS; CONSTANTS; DANCE; HPLC
AB The impact of various ion chromatography parameters on the separation of trace amounts of thulium from erbium was examined to address the need for the preparation of a Tm-171 target for neutron capture cross section measurements. The following optimal operation parameters for analytical scale separations with cation exchange resin were established based on a modified separation resolution: 0.046 M alpha-HIB- as eluent with a flow rate of 1.2 mL min(-1) at 25 A degrees C. Different carboxylic acids with varying pH were also investigated, which reaffirmed the use of alpha-hydroxyisobutyrate as the most suitable complexant for the separation of these neighboring lanthanides.
C1 [Gharibyan, N.; Bene, B. J.; Sudowe, R.] Univ Nevada, Radiochem Program, 4505 S Maryland Pkwy, Las Vegas, NV 89154 USA.
[Gharibyan, N.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA.
RP Gharibyan, N (reprint author), Univ Nevada, Radiochem Program, 4505 S Maryland Pkwy, Las Vegas, NV 89154 USA.; Gharibyan, N (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA.
EM gharibyan1@llnl.gov
FU National Nuclear Security Administration Stewardship Science Academic
Alliances Program [DEFG52-10NA29658]
FX The authors would like to thank David Vieira, Todd Bredeweg and Mary
Turner for their support. This work was funded by the National Nuclear
Security Administration Stewardship Science Academic Alliances Program
under grant DEFG52-10NA29658.
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PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0236-5731
EI 1588-2780
J9 J RADIOANAL NUCL CH
JI J. Radioanal. Nucl. Chem.
PD JAN
PY 2017
VL 311
IS 1
BP 179
EP 187
DI 10.1007/s10967-016-4926-y
PG 9
WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science &
Technology
SC Chemistry; Nuclear Science & Technology
GA EH9ET
UT WOS:000392075200018
ER
PT J
AU Savina, JA
Steeb, JL
Savina, MR
Mertz, CJ
Fortner, JA
Sullivan, VS
Bennett, ME
Chamberlain, DB
AF Savina, Joseph A.
Steeb, Jennifer L.
Savina, Michael R.
Mertz, Carol J.
Fortner, Jeffrey A.
Sullivan, Vivian S.
Bennett, Megan E.
Chamberlain, David B.
TI A non-destructive internal nuclear forensic investigation at Argonne:
discovery of a Pu planchet from 1948
SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
LA English
DT Article
DE Nuclear forensics; Nuclear archeology; Electrodeposition; Pu-239;
Non-destructive analysis
ID ELECTRODEPOSITION; URANIUM
AB A plutonium alpha standard dating from 1948 was discovered at Argonne National Laboratory and characterized using a number of non-destructive analytical techniques. The principle radioactive isotope was found to be Pu-239 and unique ring structures were found across the surface of the deposition area. Due to chronological constraints on possible sources and its high isotopic purity, the plutonium in the sample was likely produced by the Oak Ridge National Lab X-10 Reactor. It is proposed that the rings are resultant through a combination of polishing and electrodeposition, though the hypothesis fails to address a few key features of the ring structures.
C1 [Savina, Joseph A.; Steeb, Jennifer L.; Mertz, Carol J.; Fortner, Jeffrey A.; Sullivan, Vivian S.; Bennett, Megan E.; Chamberlain, David B.] Argonne Natl Lab, Nucl Engn Div, 9700 S Cass Ave, Lemont, IL 60439 USA.
[Savina, Michael R.] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Lemont, IL 60439 USA.
[Savina, Michael R.] Lawrence Livermore Natl Lab, Livermore, CA USA.
RP Steeb, JL (reprint author), Argonne Natl Lab, Nucl Engn Div, 9700 S Cass Ave, Lemont, IL 60439 USA.
EM steeb@anl.gov
FU U.S. Department of Homeland Security; Argonne, a US Department of Energy
Office of Science laboratory [DE-AC02-06CH11357]
FX Argonne National Laboratory's work was funded by the U.S. Department of
Homeland Security through interagency agreement. The submitted
manuscript includes information created by UChicago Argonne, LLC,
operator of Argonne National Laboratory ("Argonne"). Argonne, a US
Department of Energy Office of Science laboratory, is operated under
Contract No. DE-AC02-06CH11357. The US Government retains for itself,
and others acting on its behalf, a paid-up nonexclusive, irrevocable
worldwide license in said article to reproduce, prepare derivative
works, distribute copies to the public, and display publicly, by or on
behalf of the Government. Additionally, the authors would like to thank
Stephen Lamont for the invaluable conversation on potential
electrodeposition effects.
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PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0236-5731
EI 1588-2780
J9 J RADIOANAL NUCL CH
JI J. Radioanal. Nucl. Chem.
PD JAN
PY 2017
VL 311
IS 1
BP 243
EP 252
DI 10.1007/s10967-016-4893-3
PG 10
WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science &
Technology
SC Chemistry; Nuclear Science & Technology
GA EH9ET
UT WOS:000392075200025
ER
PT J
AU Doyle, JL
Schumacher, PD
Schenk, JO
Clark, SB
AF Doyle, Jamie L.
Schumacher, Paul D.
Schenk, James O.
Clark, Sue B.
TI Characterization of the behavior and mechanism of electrochemical
pre-concentration of plutonium from aqueous solution
SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
LA English
DT Article
DE Plutonium; Electrochemistry; Mercury film electrode; Electrochemical
pre-concentration; Amalgamation; Mercury dependent mechanisms
ID NUCLEAR FORENSICS; MERCURY FILM; IN-SITU; CHRONOCOULOMETRY;
SPECTROMETRY; LANTHANIDES; VOLTAMMETRY; ELECTRODES; ADSORPTION;
ACTINIDES
AB Radiochemical analyses usually require sample preparation typically including a pre-concentration step. Previous work was completed showing the success of electrochemical pre-concentration, as applied to 4f-elements, in reducing the time necessary to pre-concentrate a sample. However, these studies did not include the more electrochemically diverse 5f-elements. The objective of this work was to investigate the ability of a multivalent actinide, plutonium (Pu), to be electrochemically pre-concentrated while maximizing the efficiency of the method and proposing a mechanism of pre-concentration. In an aqueous solution with a mercury film electrode, Pu can successfully pre-concentrate and was proposed to do so via amalgamation.
C1 [Doyle, Jamie L.; Schenk, James O.; Clark, Sue B.] Washington State Univ, Dept Chem, Pullman, WA 99164 USA.
[Schumacher, Paul D.] US Dept Def, Off Secretary Def Policy, Washington, DC 20301 USA.
[Doyle, Jamie L.] Los Alamos Natl Lab, MS E554,POB 1663, Los Alamos, NM 87545 USA.
[Clark, Sue B.] Pacific Northwest Natl Lab, POB 999, Richland, WA 99352 USA.
RP Doyle, JL (reprint author), Washington State Univ, Dept Chem, Pullman, WA 99164 USA.; Doyle, JL (reprint author), Los Alamos Natl Lab, MS E554,POB 1663, Los Alamos, NM 87545 USA.
EM doyle@lanl.gov
FU Academic Research Initiative of the Joint Domestic Nuclear Detection
Office, Department of Homeland Security; National Science Foundation
[ECCS-0833548, DN-077-ARI-03302]; US Army; DHS; Defense Threat Reduction
Agency [HDTRA-1-14-10069]
FX This work is dedicated in loving memory of James O. Schenk. JLD would
like to thank Dr. Francis Cheng of the University of Idaho and Dr. Mark
Engelmann of Pacific Northwest National Laboratory for their advice and
suggestions on the electrochemistry. The authors would like to thank
Charles Knaack and Scott Boroughs at the Washington State University
GeoAnalytical Laboratory for their assistance in the ICP-MS
measurements. JLD would also like to thank Academic Research Initiative
of the Joint Domestic Nuclear Detection Office, Department of Homeland
Security, and the National Science Foundation, for funding under Grant
Numbers ECCS-0833548 and DN-077-ARI-03302. PDA acknowledges support from
the US Army, SBC acknowledges support from DHS and NSF as described
above, and the Defense Threat Reduction Agency, grant number
HDTRA-1-14-10069.
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PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0236-5731
EI 1588-2780
J9 J RADIOANAL NUCL CH
JI J. Radioanal. Nucl. Chem.
PD JAN
PY 2017
VL 311
IS 1
BP 279
EP 287
DI 10.1007/s10967-016-4976-1
PG 9
WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science &
Technology
SC Chemistry; Nuclear Science & Technology
GA EH9ET
UT WOS:000392075200029
ER
PT J
AU Kurosaki, H
Mueller, RJ
Lambert, SB
Rao, GR
AF Kurosaki, Hiromu
Mueller, Rebecca J.
Lambert, Susan B.
Rao, Govind R.
TI Alternate method of source preparation for alpha spectrometry: no
electrodeposition, no hydrofluoric acid
SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
LA English
DT Article
DE Actinide source preparation; Alpha spectrometry; Micro-precipitation;
Lanthanide hydroxide; Electrodeposition; Rapid procedure; Radiological
incident
ID NEODYMIUM FLUORIDE COPRECIPITATION; OPTIMIZATION
AB An alternate method of preparing actinide alpha counting sources was developed in place of electrodeposition or lanthanide fluoride micro-precipitation. The method uses lanthanide hydroxide micro-precipitation to avoid the use of hazardous hydrofluoric acid. It provides a quicker, simpler, and safer way of preparing actinide alpha counting sources in routine, production-type laboratories that process many samples daily.
C1 [Kurosaki, Hiromu; Lambert, Susan B.; Rao, Govind R.] Oak Ridge Natl Lab, Nucl & Radiol Protect Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
[Mueller, Rebecca J.] Univ Kentucky, Dept Chem, Lexington, KY 40506 USA.
RP Kurosaki, H (reprint author), Oak Ridge Natl Lab, Nucl & Radiol Protect Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM hzk@ornl.gov
FU U.S. Department of Energy, Office of Science; Department of Energy
[DE-AC05-00OR22725]; U.S. Department of Energy [DE-AC05-00OR22725]
FX This material is based upon work supported by the U.S. Department of
Energy, Office of Science. Oak Ridge National Laboratory is managed by
UT-Battelle LLC for the Department of Energy under contract
DE-AC05-00OR22725. This manuscript has been authored by UT-Battelle, LLC
under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy.
The United States Government retains and the publisher, by accepting the
article for publication, acknowledges that the United States Government
retains a non-exclusive, paid-up, irrevocable, world-wide license to
publish or reproduce the published form of this manuscript, or allow
others to do so, for United States Government purposes. The Department
of Energy will provide public access to these results of federally
sponsored research in accordance with the DOE Public Access Plan
(http://energy.gov/downloads/doe-public-access-plan).
NR 15
TC 0
Z9 0
U1 3
U2 3
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0236-5731
EI 1588-2780
J9 J RADIOANAL NUCL CH
JI J. Radioanal. Nucl. Chem.
PD JAN
PY 2017
VL 311
IS 1
BP 323
EP 329
DI 10.1007/s10967-016-4942-y
PG 7
WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science &
Technology
SC Chemistry; Nuclear Science & Technology
GA EH9ET
UT WOS:000392075200034
ER
PT J
AU Despotopulos, JD
Kmak, KN
Gharibyan, N
Henderson, RA
Moody, KJ
Shaughnessy, DA
Sudowe, R
AF Despotopulos, John D.
Kmak, Kelly N.
Gharibyan, Narek
Henderson, Roger A.
Moody, Kenton J.
Shaughnessy, Dawn A.
Sudowe, Ralf
TI Characterization of the homologs of flerovium with crown ether based
extraction chromatography resins: studies in nitric acid
SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
LA English
DT Article
DE Macrocycles; Crown ethers; Extraction chromatography; Flerovium;
Homologs; Heavy element
AB Eichrom's Pb resin, a crown-ether-based extraction chromatography resin, was characterized for separation of the flerovium (Fl) homologs, Pb and Sn. Batch uptake of Pb(II) and Sn(IV) radionuclides was determined from an HNO3 matrix. Pb(II) was strongly retained on the resin at all HNO3 concentrations, while Sn(IV) showed no uptake. Extraction kinetics for Pb(II) were examined and show suitable uptake on the second time scale. Separation methods for the isolation of individual homologs, Pb(II) and Sn(IV), have been established using 2 mL pre-packed vacuum flow Pb resin columns.
C1 [Despotopulos, John D.; Gharibyan, Narek; Henderson, Roger A.; Moody, Kenton J.; Shaughnessy, Dawn A.] Lawrence Livermore Natl Lab, Nucl & Chem Sci Div, 7000 East Ave, Livermore, CA 94550 USA.
[Despotopulos, John D.; Sudowe, Ralf] Univ Nevada, 4505 South Maryland Pkwy, Las Vegas, NV 89154 USA.
[Kmak, Kelly N.] Univ Calif Berkeley, Berkeley, CA 94270 USA.
RP Despotopulos, JD (reprint author), Lawrence Livermore Natl Lab, Nucl & Chem Sci Div, 7000 East Ave, Livermore, CA 94550 USA.; Despotopulos, JD (reprint author), Univ Nevada, 4505 South Maryland Pkwy, Las Vegas, NV 89154 USA.
EM despotopulos1@llnl.gov
FU U.S. Department of Energy [DE-AC52-07NA27344]; Laboratory Directed
Research and Development Program at LLNL [11-ERD-011]; LLNL Livermore
Graduate Scholar Program
FX The authors would like to thank the CAMS facility staff at LLNL,
specifically Scott Tumey, Thomas Brown and Graham Bench for providing
beam time and expertise to the production of radionuclides used in this
study. This study was performed under the auspices of the U.S.
Department of Energy by Lawrence Livermore National Laboratory under
Contract DE-AC52-07NA27344. This work was funded by the Laboratory
Directed Research and Development Program at LLNL under Project tracking
code 11-ERD-011, as well as by the LLNL Livermore Graduate Scholar
Program.
NR 11
TC 0
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U1 0
U2 0
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0236-5731
EI 1588-2780
J9 J RADIOANAL NUCL CH
JI J. Radioanal. Nucl. Chem.
PD JAN
PY 2017
VL 311
IS 1
BP 649
EP 653
DI 10.1007/s10967-016-5038-4
PG 5
WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science &
Technology
SC Chemistry; Nuclear Science & Technology
GA EH9ET
UT WOS:000392075200069
ER
PT J
AU Morrison, SS
Beck, CL
Bowen, JM
Eggemeyer, TA
Hines, CC
Leizers, M
Metz, LA
Morley, SM
Restis, KR
Snow, MS
Wall, DE
Clark, SB
Seiner, BN
AF Morrison, Samuel S.
Beck, Chelsie L.
Bowen, James M.
Eggemeyer, Tere A.
Hines, C. Corey
Leizers, Martin
Metz, Lori A.
Morley, Shannon M.
Restis, Kaitlyn R.
Snow, Mathew S.
Wall, Donald E.
Clark, Sue B.
Seiner, Brienne N.
TI Determination of tungsten in geochemical reference material basalt
Columbia River 2 by radiochemical neutron activation analysis and
inductively coupled plasma mass spectrometry
SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
LA English
DT Article
DE W determination; Radiochemical neutron activation analysis; Inductively
coupled plasma mass spectrometry; Reference material BCR-2; Anion
exchange
ID NUCLEAR-DATA SHEETS; IRON
AB Determination of environmental tungsten (W) is inhibited by a lack of reference materials and practical methods to remove isobaric and radiometric interferences. We present a method that evaluates the potential use of commercially available sediment, Basalt Columbia River-2 (BCR-2), as a quality control standard for W. Tungsten concentrations determined using neutron activation analysis (NAA) and mass spectrometry are in statistical agreement at the significance level alpha = 0.05 (92 +/- 4 ng g(-1) for NAA and 100 +/- 7 ng g(-1) for mass spectrometry). These results indicate that BCR-2 may be suitable as a quality control standard for future studies.
C1 [Morrison, Samuel S.; Clark, Sue B.] Washington State Univ, Dept Chem, POB 644630, Pullman, WA 99164 USA.
[Morrison, Samuel S.; Beck, Chelsie L.; Bowen, James M.; Eggemeyer, Tere A.; Leizers, Martin; Metz, Lori A.; Morley, Shannon M.; Clark, Sue B.; Seiner, Brienne N.] Pacific Northwest Natl Lab, POB 999,902 Battelle Blvd, Richland, WA 99352 USA.
[Hines, C. Corey; Restis, Kaitlyn R.; Wall, Donald E.] Washington State Univ, Nucl Radiat Ctr, Pullman, WA 99164 USA.
[Snow, Mathew S.] Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA.
RP Morrison, SS (reprint author), Washington State Univ, Dept Chem, POB 644630, Pullman, WA 99164 USA.; Morrison, SS (reprint author), Pacific Northwest Natl Lab, POB 999,902 Battelle Blvd, Richland, WA 99352 USA.
EM samuel.morrison@pnnl.gov
FU U.S. Department of Energy's National Nuclear Security Administration,
Office of Defense Nuclear Nonproliferation Research and Development
[DE-AC05-76RL01830]
FX The authors acknowledge the U.S. Department of Energy's National Nuclear
Security Administration, Office of Defense Nuclear Nonproliferation
Research and Development for funding this research under contract
DE-AC05-76RL01830.
NR 20
TC 0
Z9 0
U1 2
U2 2
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0236-5731
EI 1588-2780
J9 J RADIOANAL NUCL CH
JI J. Radioanal. Nucl. Chem.
PD JAN
PY 2017
VL 311
IS 1
BP 749
EP 754
DI 10.1007/s10967-016-5065-1
PG 6
WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science &
Technology
SC Chemistry; Nuclear Science & Technology
GA EH9ET
UT WOS:000392075200080
ER
PT J
AU Sharp, N
Ticknor, BW
Bronikowski, M
Nichols, T
McDonough, WF
Mignerey, A
Beals, D
AF Sharp, Nicholas
Ticknor, Brian W.
Bronikowski, Michael
Nichols, Theodore
McDonough, William F.
Mignerey, Alice
Beals, Donna
TI Nd and Sm isotopic composition of spent nuclear fuels from three
material test reactors
SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY
LA English
DT Article
DE Multi-collector inductively-coupled plasma mass spectrometry; Spent
nuclear fuel; Chromatography; Nd and Sm isotopic ratios; Nuclear
forensics
ID MASS-SPECTROMETRY; ION-EXCHANGE
AB Rare earth elements such as neodymium and samarium are ideal for probing the neutron environment that spent nuclear fuels are exposed to in nuclear reactors. The large number of stable isotopes can provide distinct isotopic signatures for differentiating the source material for nuclear forensic investigations. The rare-earth elements were isolated from the high activity fuel matrix via ion exchange chromatography in a shielded cell. The individual elements were then separated using cation exchange chromatography. The neodymium and samarium aliquots were analyzed via MC-ICP-MS, resulting in isotopic compositions with a precision of 0.01-0.3%.
C1 [Sharp, Nicholas; McDonough, William F.; Mignerey, Alice] Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA.
[Ticknor, Brian W.; Bronikowski, Michael; Nichols, Theodore; Beals, Donna] Savannah River Natl Lab, Aiken, SC 29808 USA.
[Ticknor, Brian W.] Oak Ridge Natl Lab, Div Chem Sci, 1 Bethel Valley Rd,MS 6415, Oak Ridge, TN 37830 USA.
[McDonough, William F.] Univ Maryland, Dept Geol, College Pk, MD 20742 USA.
[Beals, Donna] DM Beals LLC, 58 Cochise Court, Palm Coast, FL 32137 USA.
RP Sharp, N (reprint author), Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA.
EM nicholas.sharp@nist.gov
FU Domestic Nuclear Detection Office (DNDO) [HSHQDC-10-X-00652]
FX The authors would like to thank Jacob Venzie for his work editing and
reviewing this manuscript for submission. Additional thanks to Savannah
River National Laboratory and University of Maryland radiation safety
departments for consultations and recommendations on radiation safety
procedures required to perform this work. This work was funded through
the Domestic Nuclear Detection Office (DNDO HSHQDC-10-X-00652).
NR 15
TC 0
Z9 0
U1 2
U2 2
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0236-5731
EI 1588-2780
J9 J RADIOANAL NUCL CH
JI J. Radioanal. Nucl. Chem.
PD JAN
PY 2017
VL 311
IS 1
BP 801
EP 808
DI 10.1007/s10967-016-5099-4
PG 8
WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science &
Technology
SC Chemistry; Nuclear Science & Technology
GA EH9ET
UT WOS:000392075200086
ER
PT J
AU Coughlan, HD
Darmanin, C
Kirkwood, HJ
Phillips, NW
Hoxley, D
Clark, JN
Vine, DJ
Hofmann, F
Harder, RJ
Maxey, E
Abbey, B
AF Coughlan, H. D.
Darmanin, C.
Kirkwood, H. J.
Phillips, N. W.
Hoxley, D.
Clark, J. N.
Vine, D. J.
Hofmann, F.
Harder, R. J.
Maxey, E.
Abbey, B.
TI Bragg coherent diffraction imaging and metrics for radiation damage in
protein micro-crystallography
SO JOURNAL OF SYNCHROTRON RADIATION
LA English
DT Article; Proceedings Paper
CT 9th International Workshop on X-Ray Radiation Damage to Biological
Crystalline Samples
CY MAR 09-11, 2016
CL Lund, SWEDEN
DE radiation damage; dose; protein crystallography; micro-crystallography;
Bragg coherent diffractive imaging
ID X-RAY-DIFFRACTION; MACROMOLECULAR CRYSTALLOGRAPHY;
SYNCHROTRON-RADIATION; ROOM-TEMPERATURE; SERIAL CRYSTALLOGRAPHY;
CRYSTALS; BEAM; CRYOCRYSTALLOGRAPHY; MITIGATION; DEPENDENCE
AB The proliferation of extremely intense synchrotron sources has enabled ever higher-resolution structures to be obtained using data collected from smaller and often more imperfect biological crystals (Helliwell, 1984). Synchrotron beamlines now exist that are capable of measuring data from single crystals that are just a few micrometres in size. This provides renewed motivation to study and understand the radiation damage behaviour of small protein crystals. Reciprocal-space mapping and Bragg coherent diffractive imaging experiments have been performed on cryo-cooled microcrystals of hen egg-white lysozyme as they undergo radiation damage. Several well established metrics, such as intensity-loss and lattice expansion, are applied to the diffraction data and the results are compared with several new metrics that can be extracted from the coherent imaging experiments. Individually some of these metrics are inconclusive. However, combining metrics, the results suggest that radiation damage behaviour in protein micro-crystals differs from that of larger protein crystals and may allow them to continue to diffract for longer. A possible mechanism to account for these observations is proposed.
C1 [Coughlan, H. D.; Darmanin, C.; Kirkwood, H. J.; Phillips, N. W.; Hoxley, D.; Abbey, B.] La Trobe Univ, Dept Chem & Phys, La Trobe Inst Mol Sci, ARC Ctr Adv Mol Imaging, Bundoora, Vic 3086, Australia.
[Coughlan, H. D.; Phillips, N. W.] CSIRO Mfg Flagship, Parkville, Vic 3052, Australia.
[Clark, J. N.] SLAC Natl Accelerator Lab, Stanford PULSE Inst, Menlo Pk, CA 94025 USA.
[Clark, J. N.] Deutsch Elektronensynchrotron DESY, Ctr Free Electron Laser Sci CFEL, Notkestr 85, D-22607 Hamburg, Germany.
[Vine, D. J.] Adv Light Source, Berkeley Lab, Berkeley, CA 94720 USA.
[Hofmann, F.] Univ Oxford, Dept Engn Sci, Oxford OX1 3PJ, England.
[Harder, R. J.; Maxey, E.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
RP Darmanin, C (reprint author), La Trobe Univ, Dept Chem & Phys, La Trobe Inst Mol Sci, ARC Ctr Adv Mol Imaging, Bundoora, Vic 3086, Australia.
EM c.darmanin@latrobe.edu.au; b.abbey@latrobe.edu.au
FU US Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-06CH11357]; CSIRO Manufacturing Flagship;
International Synchrotron Access Program (ISAP) by the Australian
Synchrotron; Australian Research Council Centre of Excellence in
Advanced Molecular Imaging [CE140100011]; Volkswagen Foundation;
Physical Sciences Disciplinary Research Program (DRP) of La Trobe
University
FX Use of the Advanced Photon Source was supported by the US Department of
Energy, Office of Science, Office of Basic Energy Sciences, under
Contract No. DE-AC02-06CH11357. Part of this research was undertaken on
the MX2 beamlines at the Australian Synchrotron, Victoria, Australia.
This work was partly funded by the CSIRO Manufacturing Flagship and the
International Synchrotron Access Program (ISAP) by the Australian
Synchrotron. This work was supported by the Australian Research Council
Centre of Excellence in Advanced Molecular Imaging (CE140100011)
(http://www.imagingcoe.org/. JNC gratefully acknowledges financial
support from the Volkswagen Foundation. DH gratefully acknowledges the
Physical Sciences Disciplinary Research Program (DRP) of La Trobe
University for financial support.
NR 54
TC 1
Z9 1
U1 2
U2 2
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 1600-5775
J9 J SYNCHROTRON RADIAT
JI J. Synchrot. Radiat.
PD JAN
PY 2017
VL 24
BP 83
EP 94
DI 10.1107/S1600577516017525
PN 1
PG 12
WC Instruments & Instrumentation; Optics; Physics, Applied
SC Instruments & Instrumentation; Optics; Physics
GA EH4ES
UT WOS:000391724900009
PM 28009549
ER
PT J
AU Lee, J
Chun, MH
Kim, GJ
Shin, DC
Kim, DT
Shin, S
AF Lee, Jaeyu
Chun, M. H.
Kim, G. -J.
Shin, D. -C.
Kim, D. -T.
Shin, S.
TI Bunch-by-bunch position measurement and analysis at PLS-II
SO JOURNAL OF SYNCHROTRON RADIATION
LA English
DT Article; Proceedings Paper
CT 9th International Workshop on X-Ray Radiation Damage to Biological
Crystalline Samples
CY MAR 09-11, 2016
CL Lund, SWEDEN
DE instability; bunch by bunch; position
AB A bunch-by-bunch measurement system has been developed at Pohang Light Source II. The system consists of a four-channel button pick-up, 20 GHz sampling oscilloscope and an 800 MHz low-pass digital filter. Upon measuring a bunch-by-bunch spatio-temporal beam motion matrix over many turns, singular-value decomposition analysis is used to reveal the dominant coupled-bunch modes. The system can diagnose injection oscillations due to kicker errors and the effect of resistive-wall impedance that gives rise to instability during operation.
C1 [Lee, Jaeyu; Chun, M. H.; Kim, G. -J.; Shin, D. -C.; Kim, D. -T.; Shin, S.] POSTECH, Pohang Accelerator Lab, Pohang 37673, Kyungbuk, South Korea.
[Shin, S.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
RP Shin, S (reprint author), POSTECH, Pohang Accelerator Lab, Pohang 37673, Kyungbuk, South Korea.; Shin, S (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
EM tlssh@postech.ac.kr
FU Converging Research Center Program through the Ministry of Science, ICT
and Future Planning, Korea [NRF-2014M3C1A8048817]; Basic Science
Research Program through the National Research Foundation of Korea
[NRF-2015R1D1A1A-01060049]
FX We thank T. Nakamura and R. Nagaoka for useful discussions. This
research was supported by the Converging Research Center Program through
the Ministry of Science, ICT and Future Planning, Korea
(NRF-2014M3C1A8048817), and the Basic Science Research Program through
the National Research Foundation of Korea (NRF-2015R1D1A1A-01060049).
NR 7
TC 0
Z9 0
U1 0
U2 0
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 1600-5775
J9 J SYNCHROTRON RADIAT
JI J. Synchrot. Radiat.
PD JAN
PY 2017
VL 24
BP 163
EP 167
DI 10.1107/S1600577516018154
PN 1
PG 5
WC Instruments & Instrumentation; Optics; Physics, Applied
SC Instruments & Instrumentation; Optics; Physics
GA EH4ES
UT WOS:000391724900015
PM 28009555
ER
PT J
AU Scarborough, NM
Godaliyadda, GMDP
Ye, DH
Kissick, DJ
Zhang, SJ
Newman, JA
Sheedlo, MJ
Chowdhury, AU
Fischetti, RF
Das, C
Buzzard, GT
Bouman, CA
Simpson, GJ
AF Scarborough, Nicole M.
Godaliyadda, G. M. Dilshan P.
Ye, Dong Hye
Kissick, David J.
Zhang, Shijie
Newman, Justin A.
Sheedlo, Michael J.
Chowdhury, Azhad U.
Fischetti, Robert F.
Das, Chittaranjan
Buzzard, Gregery T.
Bouman, Charles A.
Simpson, Garth J.
TI Dynamic X-ray diffraction sampling for protein crystal positioning
SO JOURNAL OF SYNCHROTRON RADIATION
LA English
DT Article; Proceedings Paper
CT 9th International Workshop on X-Ray Radiation Damage to Biological
Crystalline Samples
CY MAR 09-11, 2016
CL Lund, SWEDEN
DE dynamic sampling; supervised learning approach; X-ray diffraction;
nonlinear optical microscopy; two-photon-excited fluorescence;
second-harmonic generation
ID THROUGHPUT MACROMOLECULAR CRYSTALLOGRAPHY; SERIAL FEMTOSECOND
CRYSTALLOGRAPHY; RADIATION-DAMAGE; EXCITED FLUORESCENCE; BEAM; DETECTOR
AB A sparse supervised learning approach for dynamic sampling (SLADS) is described for dose reduction in diffraction-based protein crystal positioning. Crystal centering is typically a prerequisite for macromolecular diffraction at synchrotron facilities, with X-ray diffraction mapping growing in popularity as a mechanism for localization. In X-ray raster scanning, diffraction is used to identify the crystal positions based on the detection of Bragg-like peaks in the scattering patterns; however, this additional X-ray exposure may result in detectable damage to the crystal prior to data collection. Dynamic sampling, in which preceding measurements inform the next most information-rich location to probe for image reconstruction, significantly reduced the X-ray dose experienced by protein crystals during positioning by diffraction raster scanning. The SLADS algorithm implemented herein is designed for single-pixel measurements and can select a new location to measure. In each step of SLADS, the algorithm selects the pixel, which, when measured, maximizes the expected reduction in distortion given previous measurements. Ground-truth diffraction data were obtained for a 5 mm-diameter beam and SLADS reconstructed the image sampling 31% of the total volume and only 9% of the interior of the crystal greatly reducing the X-ray dosage on the crystal. Using in situ two-photon-excited fluorescence microscopy measurements as a surrogate for diffraction imaging with a 1 mm-diameter beam, the SLADS algorithm enabled image reconstruction from a 7% sampling of the total volume and 12% sampling of the interior of the crystal. When implemented into the beamline at Argonne National Laboratory, without ground-truth images, an acceptable reconstruction was obtained with 3% of the image sampled and approximately 5% of the crystal. The incorporation of SLADS into X-ray diffraction acquisitions has the potential to significantly minimize the impact of X-ray exposure on the crystal by limiting the dose and area exposed for image reconstruction and crystal positioning using data collection hardware present in most macromolecular crystallography end-stations.
C1 [Scarborough, Nicole M.; Zhang, Shijie; Newman, Justin A.; Sheedlo, Michael J.; Chowdhury, Azhad U.; Das, Chittaranjan; Simpson, Garth J.] Purdue Univ, Dept Chem, W Lafayette, IN 47907 USA.
[Godaliyadda, G. M. Dilshan P.; Ye, Dong Hye; Bouman, Charles A.] Purdue Univ, Dept Elect & Comp Engn, W Lafayette, IN 47907 USA.
[Kissick, David J.; Fischetti, Robert F.] Argonne Natl Lab, Xray Sci Div, GM CA APS, Lemont, IL 60439 USA.
[Buzzard, Gregery T.] Purdue Univ, Dept Math, W Lafayette, IN 47907 USA.
RP Simpson, GJ (reprint author), Purdue Univ, Dept Chem, W Lafayette, IN 47907 USA.
EM gsimpson@purdue.edu
FU NIH [R01GM-103910, R01GM-103410]; AFOSR/MURI [FA9550-12-1-0458]; AFRL/RX
[FA8650-10-D-5201-0038]; National Cancer Institute [ACB-12002]; National
Institute of General Medical Sciences [AGM-12006]; DOE Office of Science
[DE-AC02-06CH11357]
FX NMS, SZ, JAN, AUC, MJS, CD and GJS gratefully acknowledge support from
the NIH grant Nos. R01GM-103910 and R01GM-103410. DG, DHY and CB
gratefully acknowledge support from AFOSR/MURI grant No.
FA9550-12-1-0458 and AFRL/RX Contract Number FA8650-10-D-5201-0038.
GM/CA@APS has been funded in whole or in part with Federal funds from
the National Cancer Institute (ACB-12002) and the National Institute of
General Medical Sciences (AGM-12006). This research used resources of
the Advanced Photon Source, a US Department of Energy (DOE) Office of
Science User Facility operated for the DOE Office of Science by Argonne
National Laboratory under Contract No. DE-AC02-06CH11357.
NR 38
TC 0
Z9 0
U1 1
U2 1
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 1600-5775
J9 J SYNCHROTRON RADIAT
JI J. Synchrot. Radiat.
PD JAN
PY 2017
VL 24
BP 188
EP 195
DI 10.1107/S160057751601612X
PN 1
PG 8
WC Instruments & Instrumentation; Optics; Physics, Applied
SC Instruments & Instrumentation; Optics; Physics
GA EH4ES
UT WOS:000391724900018
PM 28009558
ER
PT J
AU Singh, A
Luening, K
Brennan, S
Homma, T
Kubo, N
Nowak, SH
Pianetta, P
AF Singh, Andy
Luening, Katharina
Brennan, Sean
Homma, Takayuki
Kubo, Nobuhiro
Nowak, Stanislaw H.
Pianetta, Piero
TI Determination of copper nanoparticle size distributions with total
reflection X-ray fluorescence spectroscopy
SO JOURNAL OF SYNCHROTRON RADIATION
LA English
DT Article; Proceedings Paper
CT 9th International Workshop on X-Ray Radiation Damage to Biological
Crystalline Samples
CY MAR 09-11, 2016
CL Lund, SWEDEN
DE silicon wafer surface; total reflection X-ray fluorescence; Cu
nanoparticle; grazing-incidence X-ray fluorescence
ID SILICON-WAFER SURFACES; SYNCHROTRON-RADIATION; DISSOLVED-OXYGEN;
GRAZING-INCIDENCE; ULTRAPURE WATER; NATIVE-OXIDE; IMPLANTS; GROWTH
AB Total reflection X-ray fluorescence (TXRF) analysis is extensively used by the semiconductor industry for measuring trace metal contamination on silicon surfaces. In addition to determining the quantity of impurities on a surface, TXRF can reveal information about the vertical distribution of contaminants by measuring the fluorescence signal as a function of the angle of incidence. In this study, two samples were intentionally contaminated with copper in non-deoxygenated and deoxygenated ultrapure water (UPW) resulting in impurity profiles that were either atomically dispersed in a thin film or particle-like, respectively. The concentration profile of the samples immersed into deoxygenated UPW was calculated using a theoretical concentration profile representative of particles, yielding a mean particle height of 16.1 nm. However, the resulting theoretical profile suggested that a distribution of particle heights exists on the surface. The fit of the angular distribution data was further refined by minimizing the residual error of a least-squares fit employing a model with a Gaussian distribution of particle heights about the mean height. The presence of a height distribution was also confirmed with atomic force microscopy measurements.
C1 [Singh, Andy; Luening, Katharina; Brennan, Sean; Nowak, Stanislaw H.; Pianetta, Piero] Stanford Synchrotron Radiat Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA.
[Homma, Takayuki; Kubo, Nobuhiro] Waseda Univ, Dept Appl Chem, Shinjuku Ku, Tokyo 1698555, Japan.
RP Pianetta, P (reprint author), Stanford Synchrotron Radiat Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA.
EM pianetta@slac.stanford.edu
FU Department of Energy, Office of Basic Energy Sciences; SIWEDS; Swiss
National Science Foundation (SNSF) [148569]
FX We would like to thank the staff at SSRL for their expert technical
assistance. This work was performed at SSRL, which is supported by the
Department of Energy, Office of Basic Energy Sciences. The support of
SIWEDS is also acknowledged. SHN acknowledges support from the Swiss
National Science Foundation (SNSF), project No. 148569.
NR 21
TC 0
Z9 0
U1 2
U2 2
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 1600-5775
J9 J SYNCHROTRON RADIAT
JI J. Synchrot. Radiat.
PD JAN
PY 2017
VL 24
BP 283
EP 287
DI 10.1107/S1600577516015484
PN 1
PG 5
WC Instruments & Instrumentation; Optics; Physics, Applied
SC Instruments & Instrumentation; Optics; Physics
GA EH4ES
UT WOS:000391724900028
PM 28009568
ER
PT J
AU West, BM
Stuckelberger, M
Jeffries, A
Gangam, S
Lai, B
Stripe, B
Maser, J
Rose, V
Vogt, S
Bertoni, MI
AF West, Bradley M.
Stuckelberger, Michael
Jeffries, April
Gangam, Srikanth
Lai, Barry
Stripe, Benjamin
Maser, Jorg
Rose, Volker
Vogt, Stefan
Bertoni, Mariana I.
TI X-ray fluorescence at nanoscale resolution for multicomponent layered
structures: a solar cell case study
SO JOURNAL OF SYNCHROTRON RADIATION
LA English
DT Article; Proceedings Paper
CT 9th International Workshop on X-Ray Radiation Damage to Biological
Crystalline Samples
CY MAR 09-11, 2016
CL Lund, SWEDEN
DE thin film characterization; X-ray fluorescence; CIGS; multilayered
structure; solar cell
ID METAL IMPURITIES; SILICON; YIELDS
AB The study of a multilayered and multicomponent system by spatially resolved X-ray fluorescence microscopy poses unique challenges in achieving accurate quantification of elemental distributions. This is particularly true for the quantification of materials with high X-ray attenuation coefficients, depth-dependent composition variations and thickness variations. A widely applicable procedure for use after spectrum fitting and quantification is described. This procedure corrects the elemental distribution from the measured fluorescence signal, taking into account attenuation of the incident beam and generated fluorescence from multiple layers, and accounts for sample thickness variations. Deriving from Beer-Lambert's law, formulae are presented in a general integral form and numerically applicable framework. The procedure is applied using experimental data from a solar cell with a Cu( In,Ga)Se-2 absorber layer, measured at two separate synchrotron beamlines with varied measurement geometries. This example shows the importance of these corrections in real material systems, which can change the interpretation of the measured distributions dramatically.
C1 [West, Bradley M.; Stuckelberger, Michael; Gangam, Srikanth; Bertoni, Mariana I.] Arizona State Univ, Sch Elect Comp & Energy Engn, 551 F Tyler Mall, Tempe, AZ 85281 USA.
[Jeffries, April; Bertoni, Mariana I.] Arizona State Univ, Sch Engn Matter Transport & Energy, 551 E Tyler Mall, Tempe, AZ 85281 USA.
[Lai, Barry; Stripe, Benjamin; Maser, Jorg; Rose, Volker; Vogt, Stefan] Argonne Natl Lab, Adv Photon Source, Lemont, IL 60439 USA.
[Stripe, Benjamin] Sigray, 5750 Imhoff Dr,Suite 1, Concord, CA 94520 USA.
[Rose, Volker] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Lemont, IL 60439 USA.
RP Bertoni, MI (reprint author), Arizona State Univ, Sch Elect Comp & Energy Engn, 551 F Tyler Mall, Tempe, AZ 85281 USA.; Bertoni, MI (reprint author), Arizona State Univ, Sch Engn Matter Transport & Energy, 551 E Tyler Mall, Tempe, AZ 85281 USA.
EM bertoni@asu.edu
RI Rose, Volker/B-1103-2008; Stuckelberger, Michael/L-7207-2016
OI Rose, Volker/0000-0002-9027-1052; Stuckelberger,
Michael/0000-0002-8244-5235
FU IGERT-SUN fellowship - National Science Foundation [1144616]; US
Department of Energy [DE-EE0005848]; US Department of Energy, Office of
Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]
FX The authors are grateful to Dr Harvey Guthrey and Dr Mowafak Al-Jassim
at the National Renewable Energy Laboratory for providing CIGS solar
cell samples. The authors also would like to acknowledge Professor David
Fenning for fruitful discussions regarding the procedure presented. We
would also like to thank Jake Vacek for assistance with graphic design
and figure generation. Bradley West is supported by an IGERT-SUN
fellowship funded by the National Science Foundation (award 1144616). We
acknowledge funding from the US Department of Energy under contract
DE-EE0005848. Use of the Advanced Photon Source and the Center for
Nanoscale Materials, Office of Science user facilities, were supported
by the US Department of Energy, Office of Science, Office of Basic
Energy Sciences, under contract No. DE-AC02-06CH11357.
NR 39
TC 0
Z9 0
U1 0
U2 0
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 1600-5775
J9 J SYNCHROTRON RADIAT
JI J. Synchrot. Radiat.
PD JAN
PY 2017
VL 24
BP 288
EP 295
DI 10.1107/S1600577516015721
PN 1
PG 8
WC Instruments & Instrumentation; Optics; Physics, Applied
SC Instruments & Instrumentation; Optics; Physics
GA EH4ES
UT WOS:000391724900029
PM 28009569
ER
PT J
AU Urpelainen, S
Sathe, C
Grizolli, W
Agaker, M
Head, AR
Andersson, M
Huang, SW
Jensen, BN
Wallen, E
Tarawneh, H
Sankari, R
Nyholm, R
Lindberg, M
Sjoblom, P
Johansson, N
Reinecke, BN
Arman, MA
Merte, LR
Knudsen, J
Schnadt, J
Andersen, JN
Hennies, F
AF Urpelainen, Samuli
Sathe, Conny
Grizolli, Walan
Agaker, Marcus
Head, Ashley R.
Andersson, Margit
Huang, Shih-Wen
Jensen, Brian N.
Wallen, Erik
Tarawneh, Hamed
Sankari, Rami
Nyholm, Ralf
Lindberg, Mirjam
Sjoblom, Peter
Johansson, Niclas
Reinecke, Benjamin N.
Arman, M. Alif
Merte, Lindsay R.
Knudsen, Jan
Schnadt, Joachim
Andersen, Jesper N.
Hennies, Franz
TI The SPECIES beamline at the MAX IV Laboratory: a facility for soft X-ray
RIXS and APXPS
SO JOURNAL OF SYNCHROTRON RADIATION
LA English
DT Article; Proceedings Paper
CT 9th International Workshop on X-Ray Radiation Damage to Biological
Crystalline Samples
CY MAR 09-11, 2016
CL Lund, SWEDEN
DE RIXS; APXPS; beamlines; MAX IV
ID PLANE-GRATING MONOCHROMATOR; PHOTOELECTRON-SPECTROSCOPY;
EMISSION-SPECTROSCOPY; PERFORMANCE; RADIATION; LAB; INSTRUMENT;
UNDULATOR; LIGHT; CO
AB SPECIES is an undulator-based soft X-ray beamline that replaced the old I511 beamline at the MAX II storage ring. SPECIES is aimed at high-resolution ambient-pressure X-ray photoelectron spectroscopy (APXPS), near-edge X-ray absorption fine-structure (NEXAFS), X-ray emission spectroscopy (XES) and resonant inelastic X-ray scattering (RIXS) experiments. The beamline has two branches that use a common elliptically polarizing undulator and monochromator. The beam is switched between the two branches by changing the focusing optics after the monochromator. Both branches have separate exit slits, refocusing optics and dedicated permanent endstations. This allows very fast switching between two types of experiments and offers a unique combination of the surface-sensitive XPS and bulk-sensitive RIXS techniques both in UHV- and at elevated ambient-pressure conditions on a single beamline. Another unique property of the beamline is that it reaches energies down to approximately 27 eV, which is not obtainable on other current APXPS beamlines. This allows, for instance, valence band studies under ambient-pressure conditions. In this article the main properties and performance of the beamline are presented, together with selected showcase experiments performed on the new setup.
C1 [Urpelainen, Samuli; Sathe, Conny; Grizolli, Walan; Andersson, Margit; Huang, Shih-Wen; Jensen, Brian N.; Wallen, Erik; Tarawneh, Hamed; Sankari, Rami; Nyholm, Ralf; Lindberg, Mirjam; Sjoblom, Peter; Knudsen, Jan; Schnadt, Joachim; Andersen, Jesper N.; Hennies, Franz] Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden.
[Agaker, Marcus] Uppsala Univ, Dept Phys & Astron, POB 516, SE-75120 Uppsala, Sweden.
[Head, Ashley R.; Johansson, Niclas; Reinecke, Benjamin N.; Arman, M. Alif; Merte, Lindsay R.; Knudsen, Jan; Schnadt, Joachim; Andersen, Jesper N.] Lund Univ, Dept Phys, Div Synchrotron Radiat Res, POB 118, S-22100 Lund, Sweden.
[Wallen, Erik] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
RP Urpelainen, S (reprint author), Lund Univ, MAX Lab 4, POB 118, SE-22100 Lund, Sweden.
EM samuli.urpelainen@maxiv.lu.se
FU Swedish Research Council [2009-5861]; Knut and Alice Wallenberg
Foundation (KWA)
FX We wish to acknowledge Jean-Jacques Gallet and Fabrice Bournel for
participating in the ALD experiments and Indiana Pinsard for the ALD
data treatment. We thank the staff (past and present) of the MAX IV
Laboratory for all the help and participation in the beamline
construction, operation and transfer. This work has been financially
supported by the Swedish Research Council (2009-5861) and the Knut and
Alice Wallenberg Foundation (KWA).
NR 35
TC 0
Z9 0
U1 6
U2 6
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 1600-5775
J9 J SYNCHROTRON RADIAT
JI J. Synchrot. Radiat.
PD JAN
PY 2017
VL 24
BP 344
EP 353
DI 10.1107/S1600577516019056
PN 1
PG 10
WC Instruments & Instrumentation; Optics; Physics, Applied
SC Instruments & Instrumentation; Optics; Physics
GA EH4ES
UT WOS:000391724900037
PM 28009577
ER
PT J
AU Colon, A
Stan, L
Divan, R
Shi, JX
AF Colon, Albert
Stan, Liliana
Divan, Ralu
Shi, Junxia
TI Incorporation of Al or Hf in atomic layer deposition TiO2 for ternary
dielectric gate insulation of InAlN/GaN and AlGaN/GaN
metal-insulator-semiconductor-heterojunction structure
SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A
LA English
DT Article
ID CRYSTALLIZATION BEHAVIOR; FILMS; PLASMA; GROWTH; AL2O3
AB This article investigates high dielectric constant gate insulators for GaN-based devices. Exploiting TiO2 as a high-j insulator typically compromises leakage current and temperature stability of the film. In this work, the authors compare TiO2 mixed with either Al2O3 or HfO2 to form composite films Ti-Al-O and Ti-Hf-O, respectively, deposited by atomic layer deposition on both AlGaN/GaN and InAlN/GaN substrates. The authors investigated the compositional effects of the ternary compounds by varying the Al or Hf concentration, and the authors find that leakage current is reduced with increasing Al or Hf content in the film; with a maximum Al-content of 45%, leakage current is suppressed by about 2 orders of magnitude while for a maximum Hf-content of 31%, the leakage current is suppressed by more than 2 orders of magnitude compared to the reference TiO2 sample. Although the dielectric constant is reduced with increasing Al or Hf content, it is maintaining a high value down to 49, within the investigated compositional range. The crystallization temperature of the insulators was also studied and the authors found that the crystallization temperature depends on both composition and the content. For a Ti-Al-O film with Al concentration of 45%, the crystallization temperature was increased upward of 600 degrees C, much larger compared to that of the reference TiO2 film. The interface trap densities of the various insulators were also studied on both AlGaN/GaN and InAlN substrates. The authors found a minimal trap density of 2.2 x 10(12) eV(-1) cm(-2) for the Ti-Hf-O compound with 35% Hf. In conclusion, our study reveals that the desired high-j properties of TiO2 can be adequately maintained while improving other insulator performance factors. Moreover, Ti-Hf-O compounds displayed overall better performance than the Ti-Al-O composites. (C) 2016 American Vacuum Society.
C1 [Colon, Albert] Univ Illinois, Dept Elect & Comp Engn, Suite 1020 SEO,10th Floor,851 S Morgan St, Chicago, IL 60607 USA.
[Stan, Liliana; Divan, Ralu] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Shi, Junxia] Univ Illinois, Dept Elect & Comp Engn, Suite 1020 SEO,10th Floor,851 S Morgan St, Chicago, IL 60607 USA.
RP Shi, JX (reprint author), Univ Illinois, Dept Elect & Comp Engn, Suite 1020 SEO,10th Floor,851 S Morgan St, Chicago, IL 60607 USA.
EM lucyshi@uic.edu
FU NXP Semiconductors; U.S. Department of Energy, Office of Science, Office
of Basic Energy Sciences [DE-AC02-06CH11357]
FX The authors would like to thank NXP Semiconductors for the financial
support and CorEnergy Semiconductor Technology for the epi-structure
supply. The authors would also like to thank Antonio Divenere and
Seyoung An, staff at the Nanotechnology Core Facility (UIC), for their
helpful discussions. Use of the Center for Nanoscale Materials, an
Office of Science user facility, was supported by the U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences, under
Contract No. DE-AC02-06CH11357.
NR 24
TC 0
Z9 0
U1 9
U2 9
PU A V S AMER INST PHYSICS
PI MELVILLE
PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA
SN 0734-2101
EI 1520-8559
J9 J VAC SCI TECHNOL A
JI J. Vac. Sci. Technol. A
PD JAN-FEB
PY 2017
VL 35
IS 1
AR 01B132
DI 10.1116/1.4972252
PG 6
WC Materials Science, Coatings & Films; Physics, Applied
SC Materials Science; Physics
GA EH9VY
UT WOS:000392120900037
ER
PT S
AU Liu, J
Qiang, YH
Mian, M
Xu, W
Du, E
AF Liu, Jia
Qiang, Yuhao
Mian, Michael
Xu, Weihe
Du, E.
BE Korach, CS
Tekalur, SA
Zavattieri, P
TI Rheology of Soft and Rigid Micro Particles in Curved Microfluidic
Channels
SO MECHANICS OF BIOLOGICAL SYSTEMS AND MATERIALS, VOL 6
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT SEM Annual Conference and Exposition on Experimental and Applied
Mechanics
CY JUN 06-09, 2016
CL Orlando, FL
SP Soc Expt Mech
DE Biological cell; Inertial focusing; Hydrodynamics; Deoxygenation;
Particle separation
ID SEPARATION
AB We investigated the rheological behavior of micro particles in inertial flow in a curved microfluidic channel. Different from the typical microfluidic regime operating at low Reynolds number, inertial flow provides hydrodynamic manipulation, namely inertial focusing of particles at high flow speeds. Primary influences of inertial flow on particle motions are several: repulsive force from the wall due to a pressure buildup in the constriction between the wall and the particle, shear gradient lift force due to the parabolic flow profile at microscale, and secondary drag force in the cross-sectional direction due to channel curvature. These forces result in particle moving across the streamlines to certain predictable equilibrium positions in the flow. With regard to soft particles, their flow behavior and equilibrium positions may deviate from the theoretical predictions based on rigid particles. This study provides a proof-of-concept of inertial focusing-based separation of particles with different deformability. We demonstrated its capability by separating yeast cells and polystyrene particles of similar sizes in a double spiral channel.
C1 [Liu, Jia; Qiang, Yuhao; Mian, Michael; Du, E.] Florida Atlantic Univ, Dept Ocean & Mech Engn, Boca Raton, FL 33431 USA.
[Xu, Weihe] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA.
RP Du, E (reprint author), Florida Atlantic Univ, Dept Ocean & Mech Engn, Boca Raton, FL 33431 USA.
EM edu@fau.edu
FU National Science Foundation [1464102]
FX This material is based upon work supported by the National Science
Foundation under Grant No. 1464102.
NR 16
TC 0
Z9 0
U1 1
U2 1
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-41351-8; 978-3-319-41350-1
J9 C PROC SOC EXP MECH
PY 2017
BP 83
EP 87
DI 10.1007/978-3-319-41351-8_12
PG 5
WC Mechanics; Materials Science, Biomaterials
SC Mechanics; Materials Science
GA BG8BO
UT WOS:000392181400012
ER
PT J
AU Bagri, A
Hanson, JP
Lind, J
Kenesei, P
Suter, RM
Gradeak, S
Demkowicz, MJ
AF Bagri, Akbar
Hanson, John P.
Lind, Jonathan
Kenesei, Peter
Suter, Robert M.
Gradeak, Silvija
Demkowicz, Michael J.
TI Measuring Grain Boundary Character Distributions in Ni-Base Alloy 725
Using High-Energy Diffraction Microscopy
SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND
MATERIALS SCIENCE
LA English
DT Article
ID 5 MACROSCOPIC PARAMETERS; 3-DIMENSIONAL CHARACTERIZATION;
AUTOMATED-ANALYSIS; SIZE DISTRIBUTION; COLD WORK; POLYCRYSTALS;
RECRYSTALLIZATION; MICROSTRUCTURES; ALUMINUM; NICKEL
AB We use high-energy X-ray diffraction microscopy (HEDM) to characterize the microstructure of Ni-base alloy 725. HEDM is a non-destructive technique capable of providing three-dimensional reconstructions of grain shapes and orientations in polycrystals. The present analysis yields the grain size distribution in alloy 725 as well as the grain boundary character distribution (GBCD) as a function of lattice misorientation and boundary plane normal orientation. We find that the GBCD of Ni-base alloy 725 is similar to that previously determined in pure Ni and other fcc-base metals. We find an elevated density of I 9 pound and I 3 pound grain boundaries. We also observe a preponderance of grain boundaries along low-index planes, with those along (1 1 1) planes being the most common, even after I 3 pound twins have been excluded from the analysis. (C) The Minerals, Metals & Materials Society and ASM International 2016
C1 [Bagri, Akbar; Gradeak, Silvija; Demkowicz, Michael J.] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA.
[Hanson, John P.] MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA.
[Lind, Jonathan; Suter, Robert M.] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA.
[Kenesei, Peter] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA.
[Demkowicz, Michael J.] Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 USA.
RP Bagri, A (reprint author), MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA.
EM Akbar_Bagri@alumni.brown.edu
FU BP-MIT Materials and Corrosion Center; DOE Office of Science
[DE-AC02-06CH11357]; National Science Foundation [1150862]; Department
of Energy Office of Science Graduate Fellowship Program (DOE SCGF)
[DE-AC05-06OR23100]; Department of Energy/Basic Energy Sciences Grant
[DESC0002001]; National Science Foundation's Extreme Science and
Engineering Discovery Environment (XSEDE) advanced support program
[TG-DMR130061]
FX This work was supported by the BP-MIT Materials and Corrosion Center.
This research used resources at the Advanced Photon Source, a U.S.
Department of Energy (DOE) Office of Science User Facility operated for
the DOE Office of Science by Argonne National Laboratory under Contract
No. DE-AC02-06CH11357. AB acknowledges support from the National Science
Foundation, Grant No. 1150862, in HEDM data analysis. JPH thanks the
Department of Energy Office of Science Graduate Fellowship Program (DOE
SCGF), made possible in part by the American Recovery and Reinvestment
Act of 2009, administered by ORISE-ORAU under Contract No.
DE-AC05-06OR23100. Work at CMU was supported by the Department of
Energy/Basic Energy Sciences Grant DESC0002001. Computational support
for this research was provided by Grant TG-DMR130061 from the National
Science Foundation's Extreme Science and Engineering Discovery
Environment (XSEDE) advanced support program.
NR 60
TC 0
Z9 0
U1 3
U2 3
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1073-5623
EI 1543-1940
J9 METALL MATER TRANS A
JI Metall. Mater. Trans. A-Phys. Metall. Mater. Sci.
PD JAN
PY 2017
VL 48A
IS 1
BP 354
EP 361
DI 10.1007/s11661-016-3831-x
PG 8
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA EH0ZE
UT WOS:000391492200033
ER
PT J
AU Wang, T
Ma, CF
Hu, W
Chen, YH
Chu, JR
AF Wang, Tian
Ma, Chengfu
Hu, Wei
Chen, Yuhang
Chu, Jiaru
TI Visualizing Subsurface Defects in Graphite by Acoustic Atomic Force
Microscopy
SO MICROSCOPY RESEARCH AND TECHNIQUE
LA English
DT Article
DE atomic force acoustic microscopy; ultrasonic atomic force microscopy;
heterodyne force microscopy; subsurface nanoimaging; graphite
ID MULTILAYER GRAPHENE; NANOCOMPOSITES; TRANSISTORS
AB We describe a versatile platform, which combines atomic force acoustic microscopy, ultrasonic atomic force microscopy and heterodyne force microscopy. The AFM system can enable in-situ switching among these operation modes flexibly and thus benefit the discrimination of differences in mechanical properties and buried subsurface nanostructures. We demonstrate the potential of this platform for visualizing the subsurface defects of graphite. Our results show that tiny topographic edges are enhanced in acoustic oscillation signals whilst embedded defects and inhomogeneous in mechanical properties are made clearly distinguishable. The possibility of detecting subsurface defects in few-layer graphene is further discussed with first-principles calculations. (C) 2016 Wiley Periodicals, Inc.
C1 [Wang, Tian; Ma, Chengfu; Chen, Yuhang; Chu, Jiaru] Univ Sci & Technol China, Dept Precis Machinery & Precis Instrumentat, Hefei 230026, Peoples R China.
[Hu, Wei] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
RP Chen, YH (reprint author), Univ Sci & Technol China, Dept Precis Machinery & Precis Instrumentat, Hefei 230026, Peoples R China.
EM chenyh@ustc.edu.cn
OI Hu, Wei/0000-0001-9629-2121
FU National Natural Science Foundation of China [51275503]
FX Contract grant sponsor: National Natural Science Foundation of China;
Contract grant number: 51275503.
NR 42
TC 0
Z9 0
U1 9
U2 9
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1059-910X
EI 1097-0029
J9 MICROSC RES TECHNIQ
JI Microsc. Res. Tech.
PD JAN
PY 2017
VL 80
IS 1
SI SI
BP 66
EP 74
DI 10.1002/jemt.22668
PG 9
WC Anatomy & Morphology; Biology; Microscopy
SC Anatomy & Morphology; Life Sciences & Biomedicine - Other Topics;
Microscopy
GA EH9LF
UT WOS:000392092100008
PM 27087240
ER
PT J
AU Cao, AP
Zhu, W
Shang, J
Klootwijk, JH
Sudholter, EJR
Huskens, J
de Smet, LCPM
AF Cao, Anping
Zhu, Wei
Shang, Jin
Klootwijk, Johan H.
Sudholter, Ernst J. R.
Huskens, Jurriaan
de Smet, Louis C. P. M.
TI Metal-Organic Polyhedra-Coated Si Nanowires for the Sensitive Detection
of Trace Explosives
SO NANO LETTERS
LA English
DT Article
DE Silicon nanowire-based field-effect transistor; metal-organic polyhedra;
molecular recognition; charge-transfer interaction; explosives detection
ID FIELD-EFFECT TRANSISTORS; SILICON NANOWIRES; NITRO-EXPLOSIVES; CLICK
CHEMISTRY; SENSORS; DEVICES; CAGES; FUNCTIONALIZATION; NANOSENSORS;
NANOCAGES
AB Surface-modified silicon nano-wire-based field-effect transistors (SiNW-FETs) have proven to be a promising platform for molecular recognition in miniature sensors. In this work, we present a novel nanoFET device for the sensitive and selective detection of explosives based on affinity layers of metal-organic polyhedra (MOPs). The judicious selection of the geometric and electronic characteristics of the assembly units (organic ligands and unsaturated metal site) embedded within the MOP cage allowed for the formation of multiple charge-transfer (CT) interactions to facilitate the selective explosive inclusion. Meanwhile, the host-stabilized CT complex inside the cage acted as an effective molecular gating element to strongly modulate the electrical conductance of the silicon nanowires. By grafting the MOP cages onto, a SiNW-FET device, the resulting sensor showed a good electrical sensing capability to various, explosives, especially,4,6-trinitrotoluene (TNT), with a detection limit below the nanomolar level. Importantly, coupling MOPs which have tunable structures and properties to SiNW-based devices may open up new avenues for a wide range of sensing applications, addressing various target analytes.
C1 [Cao, Anping; Sudholter, Ernst J. R.; Huskens, Jurriaan; de Smet, Louis C. P. M.] Delft Univ Technol, Dept Chem Engn, Van der Maasweg 9, NL-2629 HZ Delft, Netherlands.
[Zhu, Wei; Huskens, Jurriaan] Univ Twente, MESA Inst Nanotechnol, Mol NanoFabricat Grp, POB 217, NL-7500 AE Enschede, Netherlands.
[Shang, Jin] City Univ Hong Kong, Sch Energy & Environm, Kowloon, Hong Kong, Peoples R China.
[Shang, Jin] Univ Melbourne, Dept Chem & Biomol Engn, Melbourne, Vic 3010, Australia.
[Klootwijk, Johan H.] Philips Res Labs, High Tech Campus 4, NL-5656 AE Eindhoven, Netherlands.
[de Smet, Louis C. P. M.] Wageningen Univ & Res, Organ Chem Lab, Stippeneng 4, NL-6708 WE Wageningen, Netherlands.
[Zhu, Wei] Sandia Natl Labs, Adv Mat Lab, POB 5800, Albuquerque, NM 87185 USA.
RP Huskens, J (reprint author), Delft Univ Technol, Dept Chem Engn, Van der Maasweg 9, NL-2629 HZ Delft, Netherlands.; Huskens, J (reprint author), Univ Twente, MESA Inst Nanotechnol, Mol NanoFabricat Grp, POB 217, NL-7500 AE Enschede, Netherlands.; de Smet, LCPM (reprint author), Wageningen Univ & Res, Organ Chem Lab, Stippeneng 4, NL-6708 WE Wageningen, Netherlands.
EM j.huskens@utwente.nl; l.c.p.m.desmet@tudelft.nl
OI de Smet, Louis/0000-0001-7252-4047
FU NanoNextNL, a micro and nanotechnology consortium of the Government of
The Netherlands; Council for Chemical Sciences of The Netherlands
Organization for Scientific Research (NWO-CW) [700.58.443]
FX The authors thank NanoNextNL, a micro and nanotechnology consortium of
the Government of The Netherlands and 130 partners, for their financial
support. W.Z. and J.H. thank the support by the Council for Chemical
Sciences of The Netherlands Organization for Scientific Research
(NWO-CW; Vici grant 700.58.443). Laura Paltrinieri (TU Delft) is thanked
for help with the XPS measurements. Dr. Marleen Mescher (TU Delft) is
thanked for building the experimental sensor setup. The computational
work was undertaken with the assistance of resources from the National
Computational Infrastructure (NCI), which is supported by the Australian
Government.
NR 38
TC 0
Z9 0
U1 46
U2 46
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2017
VL 17
IS 1
BP 1
EP 7
DI 10.1021/acs.nanolett.6b02360
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EH8QE
UT WOS:000392036600001
PM 28073264
ER
PT J
AU Jungfleisch, MB
Ding, JJ
Zhang, W
Jiang, WJ
Pearson, JE
Novosad, V
Hoffmann, A
AF Jungfleisch, Matthias B.
Ding, Junjia
Zhang, Wei
Jiang, Wanjun
Pearson, John E.
Novosad, Valentine
Hoffmann, Axel
TI Insulating Nanomagnets Driven by Spin Torque
SO NANO LETTERS
LA English
DT Article
DE Spin-torque ferromagnetic resonance; magnetization dynamics; spin-Hall
effect; spin-transfer torque; yttrium iron garnet; platinum
ID INSTABILITY; FILMS
AB Magnetic insulators, such as yttrium iron garnet (Y3Fe5O12), are ideal materials for ultralow power spintronics applications due to their low energy dissipation and efficient spin current generation and transmission. Recently, it has been realized that spin dynamics can be driven very effectively in micrometer-sized Y3Fe5O12/Pt heterostructures by spin-Hall effects. We demonstrate here the excitation and detection of spin dynamics in Y3Fe5O12/Pt nanowires by spin-torque ferromagnetic resonance. The nanowires defined via electron-beam lithography are fabricated by conventional room temperature sputtering deposition on Gd3Ga5O12 substrates and liftoff. We observe field-like and antidamping-like torques acting on the magnetization precession, which are due to simultaneous excitation by Oersted fields and spin-Hall torques. The Y3Fe5O12/Pt nanowires are thoroughly examined over a wide frequency and power range. We observe a large change in the resonance field at high microwave powers, which is attributed to a decreasing effective magnetization due to microwave absorption. These heating effects are much more pronounced in the investigated nanostructures than in comparable micron-sized samples. By comparing different nanowire widths, the importance of geometrical confinements for magnetization dynamics becomes evident: quantized spin-wave modes across the width of the wires are observed in the spectra. Our results are the first stepping stones toward the realization of integrated magnonic logic devices based on insulators, where nanomagnets play an essential role.
C1 [Jungfleisch, Matthias B.; Ding, Junjia; Zhang, Wei; Jiang, Wanjun; Pearson, John E.; Novosad, Valentine; Hoffmann, Axel] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Zhang, Wei] Oakland Univ, Dept Phys, Rochester, MI 48309 USA.
[Jiang, Wanjun] Tsinghua Univ, State Key Lab Low Dimens Quantum Phys, Beijing 100084, Peoples R China.
[Jiang, Wanjun] Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China.
[Jiang, Wanjun] Collaborat Innovat Ctr Quantum Matter, Beijing 100084, Peoples R China.
RP Jungfleisch, MB (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM jungfleisch@anl.gov
RI Novosad, V /J-4843-2015; DING, Junjia/K-2277-2013
OI DING, Junjia/0000-0002-9917-9156
FU U.S. Department of Energy, Office of Science, Materials Science and
Engineering Division; DOE, Office of Science, Basic Energy Science
[DE-AC02-06CH11357]
FX This work was supported by the U.S. Department of Energy, Office of
Science, Materials Science and Engineering Division. Lithography was
carried out at the Center for Nanoscale Materials, an Office of Science
user facility, which is supported by DOE, Office of Science, Basic
Energy Science under Contract No. DE-AC02-06CH11357.
NR 36
TC 0
Z9 0
U1 18
U2 18
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2017
VL 17
IS 1
BP 8
EP 14
DI 10.1021/acs.nanolett.6b02794
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EH8QE
UT WOS:000392036600002
PM 28073261
ER
PT J
AU Powers, AS
Liao, HG
Raja, SN
Bronstein, ND
Alivisatos, AP
Zheng, HM
AF Powers, Alexander S.
Liao, Hong-Gang
Raja, Shilpa N.
Bronstein, Noah D.
Alivisatos, A. Paul
Zheng, Haimei
TI Tracking Nanoparticle Diffusion and Interaction during Self-Assembly in
a Liquid Cell
SO NANO LETTERS
LA English
DT Article
DE Nanocrystals; self-assembly; Pt-Fe nanoparticles; particle tracking;
image analysis; liquid cell TEM
ID VAN-DER-WAALS; SILVER NANOPARTICLES; GOLD NANOPARTICLES; ION BATTERIES;
NANOCRYSTALS; GROWTH; FORCES; CHITOSAN; ARRAYS; MOTION
AB Nanoparticle self-assembly has been well studied theoretically, but it remains challenging to directly observe and quantify individual nanoparticle interactions. With, our custom image analysis method, we track the trajectories of nanoparticle movement with high precision from a stack of relatively noisy images obtained using liquid cell transmission electron microscopy. In a time frame of minutes, Pt-Fe nanoparticles self-assembled into a loosely packed hcp. lattice. The energetics and stability of the dynamic assembly were studied quantitatively. From velocity and diffusion measurements; we experimentally determined the magnitude of forces between single particles and. the related physical properties. The results illustrate that long-range anisotropic forces drive the formation of chains, which-then clump and fold to maximize close range van der Waals interactions.
C1 [Powers, Alexander S.; Bronstein, Noah D.; Alivisatos, A. Paul] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Raja, Shilpa N.; Zheng, Haimei] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Liao, Hong-Gang; Raja, Shilpa N.; Alivisatos, A. Paul; Zheng, Haimei] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Alivisatos, A. Paul] Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.
RP Zheng, HM (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.; Zheng, HM (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
EM hmzheng@lbl.gov
RI Alivisatos , Paul /N-8863-2015
OI Alivisatos , Paul /0000-0001-6895-9048
FU U.S. Department of Energy Office of Basic Energy Sciences
[DE-AC02-05CH11231]; DOE Basic Energy Sciences Materials Sciences and
Engineering Division
FX We acknowledge the facility support from Molecular Foundry of Lawrence
Berkeley National Laboratory (LBNL), which is supported by the U.S.
Department of Energy Office of Basic Energy Sciences under Contract
DE-AC02-05CH11231. H.Z. thanks the funding support from DOE Basic Energy
Sciences Materials Sciences and Engineering Division.
NR 48
TC 1
Z9 1
U1 32
U2 32
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2017
VL 17
IS 1
BP 15
EP 20
DI 10.1021/acs.nanolett.6b02972
PG 6
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EH8QE
UT WOS:000392036600003
PM 27995796
ER
PT J
AU Whitney, WS
Sherrott, MC
Jariwala, D
Lin, WH
Bechtel, HA
Rossman, GR
Atwater, HA
AF Whitney, William S.
Sherrott, Michelle C.
Jariwala, Deep
Lin, Wei-Hsiang
Bechtel, Hans A.
Rossman, George R.
Atwater, Harry A.
TI Field Effect Optoelectronic Modulation of Quantum-Confined Carriers in
Black Phosphorus
SO NANO LETTERS
LA English
DT Article
DE Black phosphorus; tunable optical properties; mid-infrared;
Burstein-Moss shift; quantum-confined Franz-Keldysh effect; optical
modulator
ID P-N DIODE; BROAD-BAND; EFFECT TRANSISTORS; TRANSPORT-PROPERTIES;
GRAPHENE; HETEROJUNCTION; PHOTODETECTOR; PASSIVATION; ELECTRONICS;
JUNCTION
AB We report measurements of the infrared optical response of thin black phosphorus under field-effect modulation. We interpret the observed spectral changes as a combination of an ambipolar Burstein-Moss (BM) shift of the absorption edge due to band-filling under gate control, and-a quantum confined Franz-Keldysh (QCFK) effect, phenomena that have been proposed theoretically to occur for black phosphorus under an applied electric field. Distinct optical responses are observed depending on the flake thickness and starting carrier concentration. Transmission extinction modulation amplitudes of more than two percent are observed, suggesting the potential for use of black phosphorus as an active material in mid-infrared optoelectronic modulator applications.
C1 [Whitney, William S.] CALTECH, Dept Phys, Pasadena, CA 91125 USA.
[Sherrott, Michelle C.; Jariwala, Deep; Lin, Wei-Hsiang; Atwater, Harry A.] CALTECH, Thomas J Watson Lab Appl Phys, Pasadena, CA 91125 USA.
[Sherrott, Michelle C.; Jariwala, Deep; Atwater, Harry A.] CALTECH, Resnick Sustainabil Inst, Pasadena, CA 91125 USA.
[Rossman, George R.] CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA.
[Bechtel, Hans A.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Atwater, HA (reprint author), CALTECH, Thomas J Watson Lab Appl Phys, Pasadena, CA 91125 USA.; Atwater, HA (reprint author), CALTECH, Resnick Sustainabil Inst, Pasadena, CA 91125 USA.
EM haa@caltech.edu
FU U.S. Department of Energy (DOE) Office of Science [DE-FG02-07ER46405];
Office of Science, Office of Basic Energy Sciences, of the U.S. DOE
[DE-AC02-05CH11231]; Resnick Institute; National Defense Science and
Engineering Graduate Fellowship; Office of Science of the U.S. DOE
[DE-AC02-05CH11231]
FX This work was supported by the U.S. Department of Energy (DOE) Office of
Science, under Grant No. DE-FG02-07ER46405. The authors gratefully
acknowledge use of the facilities of beamline 1.4.3 at the Advanced
Light Source, which is supported by the Director, Office of Science,
Office of Basic Energy Sciences, of the U.S. DOE under Contract No.
DE-AC02-05CH11231. M.C.S. and D.J. acknowledge support by the Resnick
Institute, and W.S.W. acknowledges support by the National Defense
Science and Engineering Graduate Fellowship. This research used
resources of the National Energy Research Scientific Computing Center, a
DOE Office of Science User Facility supported by the Office of Science
of the U.S. DOE under Contract No. DE-AC02-05CH11231. The authors are
grateful to Victor Brar for helpful discussions.
NR 50
TC 1
Z9 1
U1 26
U2 26
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2017
VL 17
IS 1
BP 78
EP 84
DI 10.1021/acs.nanolett.6b03362
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EH8QE
UT WOS:000392036600012
PM 28005390
ER
PT J
AU Chen, YB
Ke, F
Ci, PH
Ko, CH
Park, T
Saremi, S
Liu, HL
Lee, YB
Suh, JK
Martin, LW
Ager, JW
Chen, B
Wu, JQ
AF Chen, Yabin
Ke, Feng
Ci, Penghong
Ko, Changhyun
Park, Taegyun
Saremi, Sahar
Liu, Huili
Lee, Yeonbae
Suh, Joonki
Martin, Lane W.
Ager, Joel W.
Chen, Bin
Wu, Junqiao
TI Pressurizing Field-Effect Transistors of Few-Layer MoS2 in a Diamond
Anvil Cell
SO NANO LETTERS
LA English
DT Article
DE Hydrostatic pressure; diamond anvil cell; MoS2; h-BN dielectric;
field-effect transistor
ID TRANSITION-METAL DICHALCOGENIDES; MOLYBDENUM-DISULFIDE; BORON-NITRIDE;
SUPERCONDUCTIVITY; MONOLAYER; PHASE
AB Hydrostatic pressure applied using diamond anvil cells (DAC) has been widely explored to modulate physical properties of materials by tuning their lattice degree of freedom. Independently, electrical field is able to tune the electronic degree of freedom of functional materials-via, for example, the field-effect transistor (FET) configuration. Combining these two orthogonal approaches would allow discovery of new physical properties and phases going beyond the known phase space. Such experiments are, however, technically challenging and have not been demonstrated. Herein, we report a feasible strategy to prepare and measure FETs in a DAC by lithographically patterning the nanodevices onto the diamond culet. Multiple-terminal FETs were fabricated in the DAC using few-layer MoS2 and BN as the channel semiconductor and dielectric layer, respectively. It is found that the mobility, conductance, carrier concentration, and contact conductance of MoS2 can all be significantly enhanced with pressure. We expect that the approach could enable unprecedented ways to explore new phases and properties of materials under coupled mechano-electrostatic modulation.
C1 [Chen, Yabin; Ci, Penghong; Ko, Changhyun; Park, Taegyun; Saremi, Sahar; Liu, Huili; Suh, Joonki; Martin, Lane W.; Ager, Joel W.; Wu, Junqiao] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Ke, Feng; Chen, Bin] Ctr High Pressure Sci & Technol Adv Res, Shanghai 201203, Peoples R China.
[Liu, Huili; Lee, Yeonbae; Ager, Joel W.; Wu, Junqiao] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Wu, JQ (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.; Wu, JQ (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
EM wuj@berkeley.edu
RI Wu, Junqiao/G-7840-2011; Liu, Huili/F-5148-2017
OI Wu, Junqiao/0000-0002-1498-0148;
FU Electronic Materials Program at the Lawrence Berkeley National
Laboratory - Office of Science, Office of Basic Energy Sciences, of the
U.S. Department of Energy [DE-AC02-05CH11231]; National Science
Foundation [DMR-1306601, CMMI-1434147]; Singapore Berkeley Research
Initiative for Sustainable Energy (SinBeR-ISE); Army Research Office
[W911NF-14-1-0104]; COMPRES [EAR 11-57758]; [BL12.2.2]
FX This work was supported by the Electronic Materials Program at the
Lawrence Berkeley National Laboratory, which is supported by the Office
of Science, Office of Basic Energy Sciences, of the U.S. Department of
Energy under Contract No. DE-AC02-05CH11231. J.W. acknowledges support
from National Science Foundation under grant No. DMR-1306601. J.W.,
J.A., and Y.C. acknowledge support from the Singapore Berkeley Research
Initiative for Sustainable Energy (SinBeR-ISE). S.S. acknowledges
support from the National Science Foundation under grant CMMI-1434147.
L.W.M. acknowledges support from the Army Research Office under grant
W911NF-14-1-0104. The laser milling setup in Advanced Light Source was
supported by BL12.2.2 and COMPRES (Grant No. EAR 11-57758). Y.C. and F.K
gratefully thank Dr. Jinyuan Yan from Advanced Light Source for the help
on gasket fabrication.
NR 34
TC 0
Z9 0
U1 23
U2 23
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2017
VL 17
IS 1
BP 194
EP 199
DI 10.1021/acs.nanolett.6b03785
PG 6
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EH8QE
UT WOS:000392036600028
PM 27935309
ER
PT J
AU Park, J
Park, C
Yoon, M
Li, AP
AF Park, Jewook
Park, Changwon
Yoon, Mina
Li, An-Ping
TI Surface Magnetism of Cobalt Nanoislands Controlled by Atomic Hydrogen
SO NANO LETTERS
LA English
DT Article
DE Spin-polarized scanning tunneling microscopy; nanomagnetism; chemisorbed
hydrogen; surface reconstruction; surface magnetism; adsorption and
desorption
ID SCANNING-TUNNELING-MICROSCOPY; SPIN; NANOPARTICLES; ADSORPTION; CO;
CHEMISORPTION; DESORPTION; SPILLOVER; CU(111)
AB Controlling the spin states of the surface and interface is key to spintronic applications of magnetic materials. Here, we report the evolution of surface magnetism of Co nanoislands on Cu(111) upon hydrogen adsorption and desorption with the hope of realizing reversible control of spin dependent tunneling. Spin-polarized scanning tunneling microscopy reveals three types of hydrogen-induced surface superstructures, 1H-(2 x 2), 2H-(2 x 2), and 6H-(3 x 3), with increasing H coverage. The prominent magnetic surface states of Co, while being preserved at low H coverage, become suppressed as the H coverage level increases, which can then be recovered by H desorption. First-principles calculations reveal the origin of the observed magnetic surface states by capturing the asymmetry between the spin-polarized surface states and identify the role of hydrogen in controlling the magnetic states. Our study offers new insights into the chemical control of magnetism in low-dimensional systems.
C1 [Park, Jewook; Park, Changwon; Yoon, Mina; Li, An-Ping] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Park, Jewook] Inst for Basic Sci Korea, Ctr Artificial Low Dimens Elect Syst, Pohang 790784, South Korea.
RP Li, AP (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
EM apli@ornl.gov
RI Li, An-Ping/B-3191-2012
OI Li, An-Ping/0000-0003-4400-7493
FU Laboratory Directed Research and Development Program of Oak Ridge
National Laboratory; Office of Science of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX This research was conducted at the Center for Nanophase Materials
Sciences, which is a DOE Office of Science User Facility. A portion of
the work (J.P.) is supported by the Laboratory Directed Research and
Development Program of Oak Ridge National Laboratory, managed by
UT-Battelle, LLC, for the U.S. DOE. Computing resources were provided by
the National Energy Research Scientific Computing Center, which is
supported by the Office of Science of the U.S. Department of Energy
under Contract No. DE-AC02-05CH11231.
NR 35
TC 0
Z9 0
U1 5
U2 5
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2017
VL 17
IS 1
BP 292
EP 298
DI 10.1021/acs.nanolett.6b04062
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EH8QE
UT WOS:000392036600042
PM 28073266
ER
PT J
AU Kim, HY
Hybertsen, MS
Liu, P
AF Kim, Hyun You
Hybertsen, Mark S.
Liu, Ping
TI Controlled Growth of Ceria Nanoarrays on Anatase Titania Powder: A
Bottom-up Physical Picture
SO NANO LETTERS
LA English
DT Article
DE Oxide interfaces; nanostructure growth; epitaxial growth; formation
energy; density functional theory calculations; ceria; titania
ID MIXED-METAL OXIDE; OXIDATIVE DEHYDROGENATION; SUPPORT INTERACTIONS;
METHANOL SYNTHESIS; CATALYTIC-ACTIVITY; SURFACE-STRUCTURE; NANOMETER
LEVEL; NANOPARTICLES; INTERFACES; ENERGY
AB The leading edge of catalysis research motivates physical understanding of the growth of nanoscale oxide structures on different supporting oxide materials that are themselves also nanostructured. This research opens up for consideration a diverse range of facets on the support material, versus the single facet typically involved in wide-area growth of thin films. Here, we study the growth of ceria nanoarchitectures on practical anatase titania powders as a showcase inspired by recent experiments. Density functional theory (DFT)-based methods are employed to characterize and rationalize the broad array of low energy nanostructures that emerge. Using a bottom up approach, we are able to identify and characterize the underlying mechanisms for the facet-dependent growth of various ceria motifs on anatase titania based on formation energy. These motifs include OD clusters, 1D chains, 2D plates, and 3D nanoparticles. The ceria growth mode and morphology are determined by the interplay of several factors including the role of the common cation valence, the interface template effect for different facets of the anatase support, enhanced ionic binding for more compact ceria motifs, and the local structural flexibility of oxygen ions in bridging the interface between anatase and ceria structures.
C1 [Kim, Hyun You] Chungnam Natl Univ, Dept Mat Sci & Engn, 99 Daehakro, Daejeon 34134, South Korea.
[Hybertsen, Mark S.; Liu, Ping] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
RP Hybertsen, MS; Liu, P (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
EM mhyberts@bnl.gov; pingliu3@bnl.gov
FU Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231];
Basic Science Research Program through the National Research Foundation
of Korea (NRF) by the Ministry of Education [NRF-2014R1A1A2057335]; U.S.
DOE Office of Science User Facility, at Brookhaven National Laboratory
[DE-SC-00112704]
FX A portion of this work was performed using facilities in the Center for
Functional Nanomaterials, which is a U.S. DOE Office of Science User
Facility, at Brookhaven National Laboratory under Contract No.
DE-SC-00112704. This research used resources of the National Energy
Research Scientific Computing Center, a DOE Office of Science User
Facility supported by the Office of Science of the U.S. Department of
Energy under Contract No. DE-AC02-05CH11231. This work was supported by
the Basic Science Research Program through the National Research
Foundation of Korea (NRF) funded by the Ministry of Education
(NRF-2014R1A1A2057335).
NR 51
TC 0
Z9 0
U1 10
U2 10
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2017
VL 17
IS 1
BP 348
EP 354
DI 10.1021/acs.nanolett.6b04218
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EH8QE
UT WOS:000392036600050
PM 28073258
ER
PT J
AU Cho, H
Jones, MR
Nguyen, SC
Hauwiller, MR
Zettl, A
Alivisatos, AP
AF Cho, Hoduk
Jones, Matthew R.
Nguyen, Son C.
Hauwiller, Matthew R.
Zettl, Alex
Alivisatos, A. Paul
TI The Use of Graphene and Its Derivatives for Liquid-Phase Transmission
Electron Microscopy of Radiation-Sensitive Specimens
SO NANO LETTERS
LA English
DT Article
DE Liquid-phase TEM; graphene liquid cell; DNA nanotechnology; bioimaging;
radical scavenger; radiation damage
ID STRAND BREAK FORMATION; SINGLE-STRAND; IONIZING-RADIATION;
RAMAN-SPECTROSCOPY; HYDROXYL RADICALS; AQUEOUS-SOLUTION;
MAMMALIAN-CELLS; QUANTUM DOTS; DNA; NANOPARTICLES
AB One of the key challenges facing liquid-phase transmission electron microscopy (TEM) of biological specimens has been the damaging effects of electron beam irradiation. The strongly ionizing electron beam is known to induce radiolysis of surrounding water molecules, leading to the formation of reactive radical species. In this study, we employ DNA-assembled Au nanoparticle superlattices (DNA-AuNP superlattices) as a model system to demonstrate that graphene and its derivatives can be used to mitigate electron beam-induced damage. We can image DNA-AuNP superlattices in their native saline environment when the liquid cell window material is graphene, but not when it is silicon nitride. In the latter case, initial dissociation of assembled AuNPs was followed by their random aggregation and etching. Using graphene-coated silicon nitride windows, we were able to replicate the observation of stable DNA-AuNP superlattices achieved with graphene liquid cells. We then carried out a correlative Raman spectroscopy and TEM study to compare the effect of electron beam irradiation on graphene with and without the presence of water and found that graphene reacts with the products of water radiolysis. We attribute the protective effect of graphene to its ability to efficiently scavenge reactive radical species, especially the hydroxyl radicals which are known to cause DNA strand breaks. We confirmed this by showing that stable DNA-AuNP assemblies can be imaged in silicon nitride liquid cells when graphene oxide and graphene quantum dots, which have also recently been reported as efficient radical scavengers, are added directly to the solution. We anticipate that our study will open up more opportunities for studying biological specimens using liquid-phase TEM with the use of graphene and its derivatives as biocompatible radical scavengers to alleviate the effects of radiation damage.
C1 [Cho, Hoduk; Jones, Matthew R.; Nguyen, Son C.; Hauwiller, Matthew R.; Alivisatos, A. Paul] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Cho, Hoduk; Hauwiller, Matthew R.; Zettl, Alex; Alivisatos, A. Paul] Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA.
[Nguyen, Son C.] Univ Hamburg, Hamburg Ctr Ultrafast Imaging, Luruper Chaussee 149, D-22761 Hamburg, Germany.
[Zettl, Alex] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Zettl, Alex; Alivisatos, A. Paul] Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.
[Alivisatos, A. Paul] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
RP Alivisatos, AP (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Alivisatos, AP (reprint author), Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA.; Alivisatos, AP (reprint author), Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.; Alivisatos, AP (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
EM paul.alivisatos@berkeley.edu
RI Alivisatos , Paul /N-8863-2015;
OI Alivisatos , Paul /0000-0001-6895-9048; Hauwiller,
Matthew/0000-0002-5448-6937
FU Nanomachines Program [KC1203]; Office of Basic Energy Sciences of the
United States Department of Energy [DE-AC02-05CH11231]; Defense Threat
Reduction Agency (DTRA) [HDTRA1-13-1-0035]; Arnold and Mabel Beckman
Foundation
FX We thank Gabriel Dunn and Dr. Hamid R. Barzegar at UC Berkeley for
useful discussions. This research was supported in part by the
Nanomachines Program, KC1203, Office of Basic Energy Sciences of the
United States Department of Energy under Contract No. DE-AC02-05CH11231,
which provided for the materials used; and by the Defense Threat
Reduction Agency (DTRA) under Award HDTRA1-13-1-0035, which provided for
the liquid cell TEM flow holder. M.R.J. acknowledges the Arnold and
Mabel Beckman Foundation for a postdoctoral fellowship.
NR 57
TC 0
Z9 0
U1 28
U2 28
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2017
VL 17
IS 1
BP 414
EP 420
DI 10.1021/acs.nanolett.6b04383
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EH8QE
UT WOS:000392036600059
PM 28026186
ER
PT J
AU Isaksson, S
Watkins, EB
Browning, KL
Lind, TK
Cardenas, M
Hedfalk, K
Hook, F
Andersson, M
AF Isaksson, Simon
Watkins, Erik B.
Browning, Kathryn L.
Lind, Tania Kjellerup
Cardenas, Marite
Hedfalk, Kristina
Hook, Fredrik
Andersson, Martin
TI Protein-Containing Lipid Bilayers Intercalated with Size-Matched
Mesoporous Silica Thin Films
SO NANO LETTERS
LA English
DT Article
DE Lipid bilayer; Silica; Membrane protein; Aquaporin; Neutron
reflectivity; Liposome
ID VESICLE FUSION; MEMBRANES; CHANNEL; CONDUCTANCE; ANGSTROM; TITANIA
AB Proteins are key components in a multitude of biological processes, of which the functions carried out by transmembrane (membrane-spanning) proteins are especially demanding for investigations. This is because this class of protein needs to be incorporated into a lipid bilayer representing its native environment, and in addition, many experimental conditions also require a solid support for stabilization and analytical purposes. The solid support substrate may, however, limit the protein functionality due to protein material interactions and a lack of physical space. We have in this work tailored the pore size and pore ordering of a mesoporous silica thin film to match the native cell-membrane arrangement of the transmembrane protein human aquaporin 4 (hAQP4). Using neutron reflectivity (NR), we provide evidence of how substrate pores host the bulky water-soluble domain of hAQP4, which is shown to extend 7.2 nm into the pores of the substrate. Complementary surface analytical tools, including quartz crystal microbalance with dissipation monitoring (QCM-D) and fluorescence microscopy, revealed successful protein-containing supported lipid bilayer (pSLB) formation on mesoporous silica substrates, whereas pSLB formation was hampered on nonporous silica. Additionally, electron microscopy (TEM and SEM), light scattering (DLS and stopped-flow), and small-angle X-ray scattering (SAXS) were employed to provide a comprehensive characterization of this novel hybrid organic-inorganic interface, the tailoring of which is likely to be generally applicable to improve the function and stability of a broad range of membrane proteins containing water-soluble domains.
C1 [Isaksson, Simon; Andersson, Martin] Chalmers, Dept Chem & Chem Engn, SE-41296 Gothenburg, Sweden.
[Watkins, Erik B.] Los Alamos Natl Lab, Mat Phys & Applicat Div, MPA 11, Los Alamos, NM 87545 USA.
[Browning, Kathryn L.] Uppsala Univ, Dept Pharm, SE-75123 Uppsala, Sweden.
[Lind, Tania Kjellerup; Cardenas, Marite] Malmo Univ, Dept Biomed Sci, SE-20500 Malmo, Sweden.
[Lind, Tania Kjellerup; Cardenas, Marite] Malmo Univ, Biofilm Res Ctr Biointerfaces Hlth & Soc, SE-20500 Malmo, Sweden.
[Hedfalk, Kristina] Univ Gothenburg, Dept Chem & Mol Biol, SE-40530 Gothenburg, Sweden.
[Hook, Fredrik] Chalmers, Dept Appl Phys, SE-41296 Gothenburg, Sweden.
RP Andersson, M (reprint author), Chalmers, Dept Chem & Chem Engn, SE-41296 Gothenburg, Sweden.
EM martin.andersson@chalmers.se
OI Cardenas, Marite/0000-0003-0392-3540
FU Swedish research council FORMAS [2012-771]; Swedish research council
(VR-M) [2012-2849]; Swedish Research Council [2013-4171, 2014-03981,
2015-06139]
FX S.I. and M.A. thank the Swedish research council FORMAS (2012-771). K.H.
thanks the Swedish research council (VR-M, 2012-2849). M.C. and T.K.L.
thank the Swedish Research Council (2013-4171). M.C. and K.L.B. thank
the Swedish Research Council (2014-03981). F.H. thanks the Swedish
Research Council (2015-06139).
NR 33
TC 0
Z9 0
U1 28
U2 28
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2017
VL 17
IS 1
BP 476
EP 485
DI 10.1021/acs.nanolett.6b04493
PG 10
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EH8QE
UT WOS:000392036600067
PM 28073257
ER
PT J
AU Chen, DY
Chen, ZH
He, Q
Clarkson, JD
Serrao, CR
Yadav, AK
Nowakowski, ME
Fan, Z
You, L
Gao, XS
Zeng, DC
Chen, L
Borisevich, AY
Salahucldin, S
Liu, JM
Bokor, J
AF Chen, Deyang
Chen, Zuhuang
He, Qian
Clarkson, James D.
Serrao, Claudy R.
Yadav, Ajay K.
Nowakowski, Mark E.
Fan, Zhen
You, Long
Gao, Xingsen
Zeng, Dechang
Chen, Lang
Borisevich, Albina Y.
Salahucldin, Sayeef
Liu, Jun-Ming
Bokor, Jeffrey
TI Interface Engineering of Domain Structures in BiFeO3 Thin Films
SO NANO LETTERS
LA English
DT Article
DE BiFeO3; multiferroic; depolarization field; domain wall; exchange bias;
superlattices
ID OXIDE INTERFACES; ROOM-TEMPERATURE; NANOSCALE CONTROL; ELECTRIC-FIELD;
FERROELECTRICITY; HETEROSTRUCTURES; FERROMAGNETISM; SUPERLATTICES;
ENHANCEMENT; PHYSICS
AB A wealth of fascinating phenomena have been discovered at the BiFeO3 domain walls, examples such as domain wall conductivity, photovoltaic effects, and magneto electric coupling. Thus, the ability to precisely control the domain structures and accurately study their switching behaviors is critical to realize the next generation of novel devices based on domain wall functionalities. In this work, the introduction of a dielectric layer leads to the tunability of the depolarization field both in the multilayers and superlattices, which provides a novel approach to control the domain patterns of BiFeO3 films. Moreover, we are able to study the switching behavior of the first time obtained periodic 109 degrees stripe domains with a thick bottom electrode. Besides, the precise controlling of pure 71 degrees and 109 degrees periodic stripe domain walls enable us to make a clear demonstration that the exchange bias in the ferromagnet/BiFeO3 system originates from 109 degrees domain walls. Our findings provide future directions to study the room temperature electric field control of exchange bias and open a new pathway to explore the room temperature multiferroic vortices in the BiFeO3 system.
C1 [Chen, Deyang; Fan, Zhen; Gao, Xingsen; Liu, Jun-Ming] South China Normal Univ, Inst Adv Mat, Guangzhou 510006, Guangdong, Peoples R China.
[Chen, Deyang; Fan, Zhen; Gao, Xingsen; Liu, Jun-Ming] South China Normal Univ, Guangdong Prov Key Lab Quantum Engn & Quantum Mat, Guangzhou 510006, Guangdong, Peoples R China.
[Chen, Deyang; Chen, Zuhuang; Clarkson, James D.; Yadav, Ajay K.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Chen, Deyang; Zeng, Dechang] South China Univ Technol, Sch Mat Sci & Engn, Guangzhou 510640, Guangdong, Peoples R China.
[He, Qian; Borisevich, Albina Y.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
[You, Long] Huazhong Univ Sci & Technol, Sch Opt & Elect Informat, Wuhan 430074, Peoples R China.
[Chen, Lang] South Univ Sci & Technol China, Dept Phys, Shenzhen 518055, Peoples R China.
[Serrao, Claudy R.; Nowakowski, Mark E.; Salahucldin, Sayeef; Bokor, Jeffrey] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA.
[Liu, Jun-Ming] Nanjing Univ, Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China.
[Liu, Jun-Ming] Nanjing Univ, Innovat Ctr Adv Microstruct, Nanjing 210093, Jiangsu, Peoples R China.
Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
RP Chen, DY; Gao, XS (reprint author), South China Normal Univ, Inst Adv Mat, Guangzhou 510006, Guangdong, Peoples R China.; Chen, DY; Gao, XS (reprint author), South China Normal Univ, Guangdong Prov Key Lab Quantum Engn & Quantum Mat, Guangzhou 510006, Guangdong, Peoples R China.; Chen, DY (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.; Chen, DY; Zeng, DC (reprint author), South China Univ Technol, Sch Mat Sci & Engn, Guangzhou 510640, Guangdong, Peoples R China.
EM dychen1987@gmail.com; xingsengao@scnu.edu.cn; medczeng@scut.edu.cn
RI Chen, Zuhuang/E-7131-2011; CHEN, LANG/A-2251-2011; He, Qian/J-1277-2014;
OI Chen, Zuhuang/0000-0003-1912-6490; Yadav, Ajay/0000-0001-5088-6506
FU National Key Research and Development Program of China [2016YFA0201002];
National Science Foundation (Nanosystems Engineering Research Center for
Translational Applications of Nanoscale Multiferroic Systems)
[EEC-1160504]; NSF Center for Energy Efficient Electronics Science (E3S)
[ECCS-0939514]; U.S. Department of Energy (DOE) Office of Science,
Office of Basic Energy Sciences (BES), Materials Science and Engineering
Division; NSFC [51431006, 11474146, 61674062, 51602110]; Oversea Study
Program of Guangzhou Elite Project (GEP); Project for Guangdong Province
Universities and Colleges Pearl River Scholar Funded Scheme; Science and
Technology Program of Guangzhou [2016201604030070]
FX We sincerely thank Professor Ramamoorthy Ramesh for the fruitful
discussions and suggestions. The work was supported by the National Key
Research and Development Program of China (No. 2016YFA0201002), the
National Science Foundation (Nanosystems Engineering Research Center for
Translational Applications of Nanoscale Multiferroic Systems) under
grant number EEC-1160504, and the NSF Center for Energy Efficient
Electronics Science (E3S) under grant number ECCS-0939514.
Electron microscopy work (Q.H. and A.Y.B.) was supported by the U.S.
Department of Energy (DOE) Office of Science, Office of Basic Energy
Sciences (BES), Materials Science and Engineering Division. This work
was also supported by NSFC (Grant Nos. 51431006, 11474146, 61674062,
51602110). D.Y.C. acknowledges the scholarship from Oversea Study
Program of Guangzhou Elite Project (GEP). X.S.G. acknowledges the
Project for Guangdong Province Universities and Colleges Pearl River
Scholar Funded Scheme (2014), and D.C.Z. acknowledges the support from
Science and Technology Program of Guangzhou (2016201604030070).
NR 39
TC 0
Z9 0
U1 44
U2 44
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2017
VL 17
IS 1
BP 486
EP 493
DI 10.1021/acs.nanolett.6b04512
PG 8
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EH8QE
UT WOS:000392036600068
PM 27935317
ER
PT J
AU Ye, R
Zhao, J
Yuan, B
Liu, WC
De Araujo, JR
Faucher, FF
Chang, M
Deraedt, CV
Toste, FD
Somorjai, GA
AF Ye, Rong
Zhao, Jie
Yuan, Bing
Liu, Wen-Chi
De Araujo, Joyce Rodrigues
Faucher, Franco F.
Chang, Matthew
Deraedt, Christophe V.
Toste, F. Dean
Somorjai, Gabor A.
TI New Insights into Aldol Reactions of Methyl Isocyanoacetate Catalyzed by
Heterogenized Homogeneous Catalysts
SO NANO LETTERS
LA English
DT Article
DE Heterogenized homogeneous catalyst; aldol reaction; selectivity; support
effect; mechanism; gold catalyst
ID RAY CRYSTAL-STRUCTURES; ASYMMETRIC ALDOL; PINCER COMPLEXES; METAL
NANOPARTICLES; MESOPOROUS SILICA; PALLADIUM COMPLEXES; GOLD
NANOPARTICLES; BOND ACTIVATION; PCP-PINCER; PLATINUM(II)
AB The Hayashi-Ito aldol reaction of methyl isocyanoacetate (MI) and benzaldehydes, a classic homogeneous Au(I)-catalyzed reaction, was studied with heterogenized homogeneous catalysts. Among dendrimer encapsulated nanoparticles (NPs) of Au, Pd, Rh, or Pt loaded in mesoporous supports and the homogeneous analogues, the Au NPs led to the highest yield and highest diastereoselectivity of products in toluene at room temperature. The Au catalyst was stable and was recycled for at least six runs without substantial deactivation. Moreover, larger pore sizes of the support and the use of a hydrophobic solvent led to a high selectivity for the trans diastereomer of the product. The activation energy is sensitive to neither the size of Au NPs nor the support. A linear Hammett plot was obtained with a positive slope, suggesting an increased electron density on the carbonyl carbon atom in the rate-limiting step. IR studies revealed a strong interaction between MI and the gold catalyst, supporting the proposed mechanism, in which rate-limiting step involves an electrophilic attack of the aldehyde on the enolate formed from the deprotonated MI.
C1 [Ye, Rong; Zhao, Jie; Yuan, Bing; Liu, Wen-Chi; Faucher, Franco F.; Chang, Matthew; Deraedt, Christophe V.; Toste, F. Dean; Somorjai, Gabor A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Ye, Rong; Liu, Wen-Chi; Somorjai, Gabor A.] Univ Calif Berkeley, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.
[Ye, Rong; Zhao, Jie; Deraedt, Christophe V.; Toste, F. Dean; Somorjai, Gabor A.] Lawrence Berkeley Natl Lab, Div Chem Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Liu, Wen-Chi; De Araujo, Joyce Rodrigues; Somorjai, Gabor A.] Lawrence Berkeley Natl Lab, Mat Sci Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[De Araujo, Joyce Rodrigues] Inst Nacl Metrol Qualidade & Tecnol, Div Metrol Mat, Av Nossa Senhora das Gracas 50, BR-25250020 Duque De Caxias, RJ, Brazil.
RP Toste, FD; Somorjai, GA (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Somorjai, GA (reprint author), Univ Calif Berkeley, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.; Toste, FD; Somorjai, GA (reprint author), Lawrence Berkeley Natl Lab, Div Chem Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA.; Somorjai, GA (reprint author), Lawrence Berkeley Natl Lab, Mat Sci Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM fdtoste@berkeley.edu; somorjai@berkeley.edu
OI Ye, Rong/0000-0002-4171-5964
FU Office of Science, Office of Basic Energy Sciences, Division of Chemical
Sciences, Geological and Biosciences of the US DOE [DEAC02-05CH11231];
CNPq [234217/2014-6]
FX We acknowledge support from the Director, Office of Science, Office of
Basic Energy Sciences, Division of Chemical Sciences, Geological and
Biosciences of the US DOE under contract DEAC02-05CH11231. We thank
Profs. A. Paul Alivisatos and Peidong Yang for the use of TEM. J.R.A.
acknowledges CNPq for her fellowship 234217/2014-6. We acknowledge Dr.
Aleksandr V. Zhukhovitskiy for proofreading and Dr. Miao Zhang for
assistance on physisorption tests.
NR 56
TC 0
Z9 0
U1 16
U2 16
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2017
VL 17
IS 1
BP 584
EP 589
DI 10.1021/acs.nanolett.6b04827
PG 6
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EH8QE
UT WOS:000392036600082
PM 27966991
ER
PT J
AU Zhang, HH
Wang, WJ
Mallapragada, S
Travesset, A
Vaknin, D
AF Zhang, Honghu
Wang, Wenjie
Mallapragada, Surya
Travesset, Alex
Vaknin, David
TI Macroscopic and tunable nanoparticle superlattices
SO NANOSCALE
LA English
DT Article
ID AQUEOUS BIPHASIC SYSTEMS; DNA-CAPPED NANOPARTICLES; GOLD NANOPARTICLES;
POLY(ETHYLENE OXIDE); POLYETHYLENE-GLYCOL; CURVED SURFACES; POLYMER
BRUSHES; 2-PHASE SYSTEMS; SALT; CRYSTALLIZATION
AB We describe a robust method to assemble nanoparticles into highly ordered superlattices by inducing aqueous phase separation of neutral capping polymers. Here we demonstrate the approach with thiolated polyethylene-glycol-functionalized gold nanoparticles (PEG-AuNPs) in the presence of salts (for example, K2CO3) in solutions that spontaneously migrate to the liquid-vapor interface to form a Gibbs monolayer. We show that by increasing salt concentration, PEG-AuNP monolayers transform from two-dimensional (2D) gas-like to liquid-like phase and eventually, beyond a threshold concentration, to a highly ordered hexagonal structure, as characterized by surface sensitive synchrotron X-ray reflectivity and grazing incidence X-ray diffraction. Furthermore, the method allows control of the inplane packing in the crystalline phase by varying the K2CO3 and PEG-AuNPs concentrations and the length of PEG. Using polymer-brush theory, we argue that the assembly and crystallization is driven by the need to reduce surface tension between PEG and the salt solution. Our approach of taking advantage of the phase separation of PEG in salt solutions is general (i.e., can be used with any nanoparticles) leads to high-quality macroscopic and tunable crystals. Finally, we discuss how the method can also be applied to the design of orderly 3D structures.
C1 [Zhang, Honghu; Mallapragada, Surya; Travesset, Alex; Vaknin, David] Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
[Zhang, Honghu] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.
[Wang, Wenjie] US DOE, Div Mat Sci & Engn, Ames Lab, Ames, IA 50011 USA.
[Mallapragada, Surya] Iowa State Univ, Dept Chem & Biol Engn, Ames, IA 50011 USA.
[Travesset, Alex; Vaknin, David] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.
RP Vaknin, D (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA.; Vaknin, D (reprint author), Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.
FU U.S. Department of Energy (U.S. DOE), Office of Basic Energy Sciences,
Division of Materials Sciences and Engineering; U.S. DOE
[DE-AC02-07CH11358, DE-AC02-06CH11357]
FX We thank Ivan Kuzmenko at beamline 9ID-B, APS, Argonne National
Laboratory for technical support with the liquid surface scattering
measurements. We acknowledge Xiaobin Zuo at beamline 12ID-B, APS,
Argonne National Laboratory for technical support in measuring bulk
SAXS. H. Z. thanks Prof. Mufit Akinc (Ames Laboratory and Iowa State
University) for useful discussions on the phase diagram. Research was
supported by the U.S. Department of Energy (U.S. DOE), Office of Basic
Energy Sciences, Division of Materials Sciences and Engineering. Ames
Laboratory is operated for the U.S. DOE by Iowa State University under
Contract No. DE-AC02-07CH11358. Use of the Advanced Photon Source, an
Office of Science User Facility operated for the U.S. DOE Office of
Science by Argonne National Laboratory, was supported by the U.S. DOE
under Contract No. DE-AC02-06CH11357.
NR 51
TC 0
Z9 0
U1 11
U2 11
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2040-3364
EI 2040-3372
J9 NANOSCALE
JI Nanoscale
PY 2017
VL 9
IS 1
BP 164
EP 171
DI 10.1039/c6nr07136h
PG 8
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA EH4KE
UT WOS:000391739300022
PM 27791213
ER
PT J
AU Li, LK
Kim, J
Jin, CH
Ye, GJ
Qiu, DY
da Jornada, FH
Shi, ZW
Chen, L
Zhang, ZC
Yang, FY
Watanabe, K
Taniguchi, T
Ren, W
Louie, SG
Chen, XH
Zhang, YB
Wang, F
AF Li, Likai
Kim, Jonghwan
Jin, Chenhao
Ye, Guo Jun
Qiu, Diana Y.
da Jornada, Felipe H.
Shi, Zhiwen
Chen, Long
Zhang, Zuocheng
Yang, Fangyuan
Watanabe, Kenji
Taniguchi, Takashi
Ren, Wencai
Louie, Steven G.
Chen, Xian Hui
Zhang, Yuanbo
Wang, Feng
TI Direct observation of the layer-dependent electronic structure in
phosphorene
SO NATURE NANOTECHNOLOGY
LA English
DT Article
ID BLACK PHOSPHORUS; DIRAC FERMIONS; STOKES SHIFT; MOBILITY; GRAPHENE;
CRYSTAL; EXCITON
AB Phosphorene, a single atomic layer of black phosphorus, has recently emerged as a new two-dimensional (2D) material that holds promise for electronic and photonic technologies(1-5). Here we experimentally demonstrate that the electronic structure of few-layer phosphorene varies significantly with the number of layers, in good agreement with theoretical predictions. The interband optical transitions cover a wide, technologically important spectral range from the visible to the mid-infrared. In addition, we observe strong photoluminescence in few-layer phosphorene at energies that closely match the absorption edge, indicating that they are direct bandgap semiconductors. The strongly layer-dependent electronic structure of phosphorene, in combination with its high electrical mobility, gives it distinct advantages over other 2D materials in electronic and opto-electronic applications.
C1 [Li, Likai; Zhang, Zuocheng; Yang, Fangyuan; Zhang, Yuanbo] Fudan Univ, State Key Lab Surface Phys, Shanghai 200433, Peoples R China.
[Li, Likai; Zhang, Zuocheng; Yang, Fangyuan; Zhang, Yuanbo] Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China.
[Li, Likai; Ye, Guo Jun; Zhang, Zuocheng; Yang, Fangyuan; Chen, Xian Hui; Zhang, Yuanbo] Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Jiangsu, Peoples R China.
[Kim, Jonghwan; Jin, Chenhao; Qiu, Diana Y.; da Jornada, Felipe H.; Shi, Zhiwen; Louie, Steven G.; Wang, Feng] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Ye, Guo Jun; Chen, Xian Hui] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China.
[Ye, Guo Jun; Chen, Xian Hui] Univ Sci & Technol China, Dept Phys, Hefei 230026, Anhui, Peoples R China.
[Ye, Guo Jun; Chen, Xian Hui] Univ Sci & Technol China, Key Lab Strongly Coupled Quantum Matter Phys, Hefei 230026, Anhui, Peoples R China.
[Qiu, Diana Y.; da Jornada, Felipe H.; Louie, Steven G.; Wang, Feng] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Chen, Long; Ren, Wencai] Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Peoples R China.
[Watanabe, Kenji; Taniguchi, Takashi] Natl Inst Mat Sci, Adv Mat Lab, 1-1 Namiki, Tsukuba, Ibaraki 3050044, Japan.
[Wang, Feng] Univ Calif Berkeley, Berkeley & Lawrence Berkeley Natl Lab, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.
RP Zhang, YB (reprint author), Fudan Univ, State Key Lab Surface Phys, Shanghai 200433, Peoples R China.; Zhang, YB (reprint author), Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China.; Chen, XH; Zhang, YB (reprint author), Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Jiangsu, Peoples R China.; Louie, SG; Wang, F (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.; Chen, XH (reprint author), Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China.; Chen, XH (reprint author), Univ Sci & Technol China, Dept Phys, Hefei 230026, Anhui, Peoples R China.; Chen, XH (reprint author), Univ Sci & Technol China, Key Lab Strongly Coupled Quantum Matter Phys, Hefei 230026, Anhui, Peoples R China.; Louie, SG; Wang, F (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.; Wang, F (reprint author), Univ Calif Berkeley, Berkeley & Lawrence Berkeley Natl Lab, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.
EM sglouie@berkeley.edu; chenxh@ustc.edu.cn; zhyb@fudan.edu.cn;
fengwang76@berkeley.edu
RI Shi, Zhiwen/C-4945-2013
OI Shi, Zhiwen/0000-0002-3928-2960
FU NSF of China [11425415, 11421404, 11534010]; National Basic Research
Program of China (973 Program) [2013CB921902, 2012CB922002]; National
Science Foundation EFRI program [EFMA-1542741]; Samsung Global Research
Outreach (GRO) Program; 'Strategic Priority Research Program' of the
Chinese Academy of Sciences [XDB04040100]; Elemental Strategy Initiative
conducted by the MEXT, Japan; JSPS [262480621, 25106006]; Theory of
Materials Program at the Lawrence Berkeley National Laboratory through
the Office of Basic Energy Sciences, US Department of Energy
[DE-AC02-05CH11231]; National Science Foundation [DMR-1508412,
ACI-1053575]; NSF Graduate Research Fellowship [DGE 1106400]; Office of
Science of the US Department of Energy; Extreme Science and Engineering
Discovery Environment (XSEDE)
FX L.L., Z.Z., F.Y. and Y.Z. acknowledge support from the NSF of China
(grant nos 11425415 and 11421404) and the National Basic Research
Program of China (973 Program; grant no. 2013CB921902). J.K., C.J. and
F.W. acknowledge support from National Science Foundation EFRI program
(EFMA-1542741). L.L. and Y.Z. also acknowledge support from Samsung
Global Research Outreach (GRO) Program. Part of the sample fabrication
was conducted at Fudan Nano-fabrication Lab. G.Y and X.C. acknowledge
support from the NSF of China (grant no. 11534010), the 'Strategic
Priority Research Program' of the Chinese Academy of Sciences (grant no.
XDB04040100) and the National Basic Research Program of China (973
Program; grant no. 2012CB922002). K.W. and T.T. acknowledge support from
the Elemental Strategy Initiative conducted by the MEXT, Japan. T.T.
also acknowledges support by a Grant-in-Aid for Scientific Research on
Innovative Areas, 'Nano Informatics' (grant nos 262480621 and 25106006)
from JSPS. D.Y.Q., F.H.d.J. and S.G.L. thank T. Cao and Z. Li for
discussions. The theoretical studies were supported by the Theory of
Materials Program at the Lawrence Berkeley National Laboratory through
the Office of Basic Energy Sciences, US Department of Energy under
Contract no. DE-AC02-05CH11231, which provided for the ab initio GW-BSE
calculations, and by the National Science Foundation under Grant no.
DMR-1508412, which provided for the DFT calculations and theoretical
analyses of the interlayer interactions and substrate screening. D.Y.Q.
acknowledges support from the NSF Graduate Research Fellowship Grant no.
DGE 1106400. This research used resources of the National Energy
Research Scientific Computing Center, which is supported by the Office
of Science of the US Department of Energy, and the Extreme Science and
Engineering Discovery Environment (XSEDE), which is supported by
National Science Foundation grant no. ACI-1053575.
NR 31
TC 7
Z9 7
U1 73
U2 73
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1748-3387
EI 1748-3395
J9 NAT NANOTECHNOL
JI Nat. Nanotechnol.
PD JAN
PY 2017
VL 12
IS 1
BP 21
EP 25
DI 10.1038/NNANO.2016.171
PG 5
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
SC Science & Technology - Other Topics; Materials Science
GA EH8SK
UT WOS:000392042400008
PM 27643457
ER
PT J
AU Kurtz, S
Haegel, N
Sinton, R
Margolis, R
AF Kurtz, Sarah
Haegel, Nancy
Sinton, Ronald
Margolis, Robert
TI A new era for solar
SO NATURE PHOTONICS
LA English
DT Editorial Material
C1 [Kurtz, Sarah; Haegel, Nancy] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Sinton, Ronald] Sinton Instruments, Boulder, CO 80301 USA.
[Margolis, Robert] Natl Renewable Energy Lab, Washington, DC 20024 USA.
RP Kurtz, S (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM sarah.kurtz@nrel.gov; nancy.haegel@nrel.gov; ron@sintoninstruments.com;
robert.margolis@nrel.gov
NR 11
TC 0
Z9 0
U1 3
U2 3
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1749-4885
EI 1749-4893
J9 NAT PHOTONICS
JI Nat. Photonics
PD JAN
PY 2017
VL 11
IS 1
BP 3
EP 5
PG 3
WC Optics; Physics, Applied
SC Optics; Physics
GA EH1IK
UT WOS:000391518000002
ER
PT J
AU Reichhardt, CJO
Reichhardt, C
AF Reichhardt, C. J. Olson
Reichhardt, C.
TI COLLECTIVE MOTION Disorder in the wild
SO NATURE PHYSICS
LA English
DT News Item
C1 [Reichhardt, C. J. Olson; Reichhardt, C.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RP Reichhardt, CJO (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM cjrx@lanl.gov
NR 10
TC 0
Z9 0
U1 4
U2 4
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1745-2473
EI 1745-2481
J9 NAT PHYS
JI Nat. Phys.
PD JAN
PY 2017
VL 13
IS 1
BP 10
EP 11
PG 2
WC Physics, Multidisciplinary
SC Physics
GA EH8SV
UT WOS:000392043500007
ER
PT J
AU Goldston, RJ
AF Goldston, R. J.
TI 2015 Nuclear Fusion Prize acceptance speech
SO NUCLEAR FUSION
LA English
DT Editorial Material
C1 [Goldston, R. J.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08540 USA.
RP Goldston, RJ (reprint author), Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08540 USA.
EM goldston@pppl.gov
NR 0
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0029-5515
EI 1741-4326
J9 NUCL FUSION
JI Nucl. Fusion
PD JAN
PY 2017
VL 57
IS 1
AR 010203
DI 10.1088/1741-4326/aa509c
PG 2
WC Physics, Fluids & Plasmas
SC Physics
GA EH0QM
UT WOS:000391468800003
ER
PT J
AU Lincoln, D
Stuver, A
AF Lincoln, Don
Stuver, Amber
TI Gravitational waves and angular momentum Reply
SO PHYSICS TEACHER
LA English
DT Letter
C1 [Lincoln, Don] Fermilab Natl Accelerator Lab, Batavia, IL USA.
[Stuver, Amber] LIGO Livingston Observ, Livingston, LA, US.
NR 0
TC 0
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U1 0
U2 0
PU AMER ASSN PHYSICS TEACHERS
PI COLLEGE PK
PA 5110 ROANOKE PLACE SUITE 101, COLLEGE PK, MD 20740 USA
SN 0031-921X
J9 PHYS TEACH
JI Phys. Teach.
PD JAN
PY 2017
VL 55
IS 1
BP 5
EP 5
PG 1
WC Physics, Multidisciplinary
SC Physics
GA EH7YP
UT WOS:000391988900021
ER
PT J
AU Paller, MH
Kosnicki, E
Prusha, BA
Fletcher, DE
Sefick, SA
Feminella, JW
AF Paller, Michael H.
Kosnicki, Ely
Prusha, Blair A.
Fletcher, Dean E.
Sefick, Stephen A.
Feminella, Jack W.
TI Development of an Index of Biotic Integrity for the Sand Hills Ecoregion
of the Southeastern United States
SO TRANSACTIONS OF THE AMERICAN FISHERIES SOCIETY
LA English
DT Article
ID STREAM FISH COMMUNITIES; SPATIAL SCALES; WATER-QUALITY; ASSEMBLAGES;
MACROINVERTEBRATES; DIVERSITY; USA; ASSESSMENTS; PERSPECTIVE;
MACROPHYTES
AB We developed an index of biotic integrity (IBI) for the Sand Hills ecoregion within the upper Coastal Plain of the southeastern United States. This ecoregion exhibits differences in species composition among river basins and possesses a relatively depauperate fish fauna that has been affected by faunal homogenization. We also investigated whether this IBI could be improved by adding benthic macroinvertebrate information. Data collected from 70 wadeable stream sites were used to calculate 45 fish assemblage metrics. Twelve metrics within the categories of species richness, species composition, habitat guild, trophic guild, tolerance level, alien/invasive species, and individual fish condition were retained after screening all metrics for sensitivity to disturbance, redundancy, and ecological content. Heterogeneity of species composition among basins led to a greater reliance on richness, indicator species, trophic guild, and habitat guild metrics rather than on more geographically variable species composition metrics. Characteristic headwater assemblages provided the basis for some metrics, and invader species metrics were included to address faunal homogenization. The Sand Hills IBI (SHIBI) was more accurate ecoregion-wide than IBIs that were developed for portions of the Sand Hills, correctly classifying about 60% of the disturbed sites compared with less than 30% for the other IBIs. However, the SHIBI was not highly responsive to gradients in site quality, as indicated by an R-2 of 0.30 between SHIBI scores and instream habitat quality scores. This R2 value was improved to 0.49 by supplementing the SHIBI with a benthic macroinvertebrate index (the Ephemeroptera, Plecoptera, and Trichoptera index). We conclude that ecoregion-wide IBIs should (1) be based on ecoregion-wide data that characterize responses to disturbance and natural habitat gradients, (2) maintain a substantial ecological basis by including several metric classes, and (3) include metrics that address faunal homogenization where disturbance has increased the dispersion of nonnative species and native generalist species. In addition, combining information from different assemblages can enhance IBI responsiveness to disturbance and improve performance.
C1 [Paller, Michael H.] Savannah River Natl Lab, 227 Gateway Dr, Aiken, SC 29802 USA.
[Kosnicki, Ely; Sefick, Stephen A.; Feminella, Jack W.] Auburn Univ, Dept Biol Sci, 331 Funchess Hall, Auburn, AL 36849 USA.
[Prusha, Blair A.] Midwest Biodivers Inst, 5530 Olentangy River Rd, Columbus, OH 43235 USA.
[Fletcher, Dean E.] Savannah River Ecol Lab, Aiken, SC 29802 USA.
RP Paller, MH (reprint author), Savannah River Natl Lab, 227 Gateway Dr, Aiken, SC 29802 USA.
EM michael.paller@srnl.doe.gov
FU DOD through the Strategic Environmental Research and Development Program
[RC-1694]; DOE [DE-AC09-798861048, DE-FC09-07SR22506]
FX This research was supported by the DOD through the Strategic
Environmental Research and Development Program under Project RC-1694. We
are grateful to DOD natural resource managers in Fort Benning, Fort
Bragg, and Fort Gordon, and we extend special thanks to Hugh Westbury,
Charles Bryan, and Robert Drumm. The Savannah River National Laboratory
is operated by Savannah River Nuclear Solutions, LLC, for the DOE under
Contract DE-AC09-798861048. This work was also supported by the DOE
under Award Number DE-FC09-07SR22506 to the University of Georgia
Research Foundation. Appreciation is extended to Colby Farrow for
assisting with field sampling and Bud Freeman for assisting with fish
taxonomy.
NR 68
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U2 13
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0002-8487
EI 1548-8659
J9 T AM FISH SOC
JI Trans. Am. Fish. Soc.
PY 2017
VL 146
IS 1
BP 112
EP 127
DI 10.1080/00028487.2016.1240104
PG 16
WC Fisheries
SC Fisheries
GA EH5ZG
UT WOS:000391851200011
ER
PT J
AU Pingali, SV
Urban, VS
Heller, WT
McGaughey, J
O'Neill, H
Foston, MB
Li, H
Wyman, CE
Myles, DA
Langan, P
Ragauskas, A
Davison, B
Evans, BR
AF Pingali, Sai Venkatesh
Urban, Volker S.
Heller, William T.
McGaughey, Joseph
O'Neill, Hugh
Foston, Marcus B.
Li, Hongjia
Wyman, Charles E.
Myles, Dean A.
Langan, Paul
Ragauskas, Arthur
Davison, Brian
Evans, Barbara R.
TI Understanding Multiscale Structural Changes During Dilute Acid
Pretreatment of Switchgrass and Poplar
SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING
LA English
DT Article
DE Switchgrass; Hybrid poplar; Dilute acid pretreatment; Small-angle
neutron scattering; Wide angle X-ray diffraction; Lignin aggregation
ID SMALL-ANGLE SCATTERING; X-RAY-SCATTERING; LIGNOCELLULOSIC BIOMASS;
THERMOCHEMICAL PRETREATMENT; ENZYMATIC POLYMERIZATION; GRASS
LIGNOCELLULOSE; CORN STOVER; CELL-WALLS; LIGNIN; CELLULOSE
AB Biofuels produced from lignocellulosic biomas's hold great promise as a renewable alternative energy and fuel source. To realize a cost and energy efficient approach, a fundamental understanding of the deconstruction process is critically necessary to reduce biomass recalcitrance. Herein, the structural and morphological changes over multiple scales (5-6000 angstrom) in herbaceous (switchgrass) and woody (hybrid poplar) biomass during dilute sulfuric acid pretreatment were explored using neutron scattering and X-ray diffraction. Switchgrass undergoes a larger increase (20-84 angstrom) in the average diameter of the crystalline core of the elementary cellulose fibril than hybrid poplar (19-50 angstrom). Switchgrass initially forms lignin aggregates with an average size of 90 angstrom that coalesce to 200 angstrom, which is double that observed for hybrid poplar, 55-130 angstrom. Switchgrass shows a smooth-to-rough transition in the cell wall surface morphology unlike the diffuse-to smooth transition of hybrid poplar. Yet, switchgrass and hybrid poplar pretreated under the same experimental conditions result in pretreated switchgrass producing higher glucose yields (similar to 76 wt %) than pretreated hybrid poplar (similar to 60 wt %). This observation shows that other aspects like cellulose allomorph transitions, cellulose accessibility, cellular biopolymer spatial distribution, and enzyme-substrate interactions may be more critical in governing the enzymatic hydrolysis efficiency.
C1 [Pingali, Sai Venkatesh; Urban, Volker S.; Heller, William T.; O'Neill, Hugh; Myles, Dean A.; Langan, Paul] Oak Ridge Natl Lab, Biol & Soft Matter Div, POB 2008, Oak Ridge, TN 37831 USA.
[McGaughey, Joseph; Evans, Barbara R.] Oak Ridge Natl Lab, Div Chem Sci, POB 2008, Oak Ridge, TN 37831 USA.
[Davison, Brian] Oak Ridge Natl Lab, Biosci Div, POB 2008, Oak Ridge, TN 37831 USA.
[Foston, Marcus B.; Li, Hongjia; Wyman, Charles E.; Ragauskas, Arthur; Davison, Brian] Oak Ridge Natl Lab, BioEnergy Sci Ctr, POB 2008, Oak Ridge, TN 37831 USA.
[Ragauskas, Arthur] Univ Tennessee, Dept Chem & Biomol Engn, 1512 Middle Dr,419 Dougherty Engn Bldg, Knoxville, TN 37996 USA.
[Li, Hongjia; Wyman, Charles E.] Univ Calif Riverside, Bourns Coll Engn, Dept Chem & Environm Engn, 1084 Columbia Ave, Riverside, CA 92507 USA.
[Li, Hongjia; Wyman, Charles E.] Univ Calif Riverside, Bourns Coll Engn, Ctr Environm Res & Technol CE CERT, 1084 Columbia Ave, Riverside, CA 92507 USA.
[Foston, Marcus B.] Washington Univ, Dept Energy Environm & Chem Engn, One Brookings Dr, St Louis, MO 63130 USA.
RP Pingali, SV; Urban, VS (reprint author), Oak Ridge Natl Lab, Biol & Soft Matter Div, POB 2008, Oak Ridge, TN 37831 USA.; Evans, BR (reprint author), Oak Ridge Natl Lab, Div Chem Sci, POB 2008, Oak Ridge, TN 37831 USA.
EM pingalis@ornl.gov; urbanvs@ornl.gov; evansb@ornl.gov
OI Heller, William/0000-0001-6456-2975
FU DOE Office of Science, Office of Biological and Environmental Rsearch;
DOE Office of Science, Office of Biological and Environmental Research
under the Genomic Science Program [FWP ERKP752]
FX Switchgrass and hybrid poplar samples, cell wall compositional data, and
enzymatic sugar yields were obtained through a collaborative agreement
with the BioEnergy Science Center (BESC) funded by DOE Office of
Science, Office of Biological and Environmental Rsearch and located at.
the Oak Ridge National Laboratory, Oak Ridge, Tennessee. This research
was funded by the DOE Office of Science, Office of Biological and
Environmental Research under the Genomic Science Program (FWP ERKP752).
Neutron scattering research conducted at the Bio-SANS instrument, a DOE
Office of Science, Office of Biological and Environmental Research
resource, used resources at the High Flux Isotope Reactor, a DOE Office
of Science, Scientific User Facility operated by the Oak Ridge National
Laboratory.
NR 66
TC 0
Z9 0
U1 12
U2 12
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2168-0485
J9 ACS SUSTAIN CHEM ENG
JI ACS Sustain. Chem. Eng.
PD JAN
PY 2017
VL 5
IS 1
BP 426
EP 435
DI 10.1021/acssuschemeng.6b01803
PG 10
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY;
Engineering, Chemical
SC Chemistry; Science & Technology - Other Topics; Engineering
GA EG7RH
UT WOS:000391246000048
ER
PT J
AU Sadeghifar, H
Wells, T
Le, RK
Sadeghifar, F
Yuan, JS
Ragauskas, AJ
AF Sadeghifar, Hasan
Wells, Tyrone
Le, Rosemary Khuu
Sadeghifar, Fatemeh
Yuan, Joshua S.
Ragauskas, Arthur Jonas
TI Fractionation of Organosolv Lignin Using Acetone:Water and Properties of
the Obtained Fractions
SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING
LA English
DT Article
DE Lignin fractionation; Organosolv lignin; Antioxidant activity; Molecular
weight; Acetone:water mixture
ID KRAFT LIGNIN; ANTIOXIDANT ACTIVITY; SOLVENT-EXTRACTION;
STRUCTURAL-CHARACTERIZATION; ALCELL(R) LIGNIN; CHEMISTRY
AB Lignin fractions with different molecular weight were prepared using a simple and almost green method from switchgrass and pine organosolv lignin. Different proportions of acetone in water, ranging from 30 to 60%, were used for lignin fractionation. A higher concentration of acetone dissolved higher molecular weight fractions of the lignin. Fractionated organosolv lignin showed different molecular weight and functional groups. Higher molecular weight fractions exhibited more aliphatic and less phenolic OH than lower molecular weight fractions. Lower molecular weight fractions lead to more homogeneous structure compared to samples with a higher molecular weight. All fractions showed strong antioxidant activity.
C1 [Sadeghifar, Hasan] Islamic Azad Univ, Sari Branch, Dept Wood & Paper Sci, POB 48161-19318, Sari, Iran.
[Sadeghifar, Hasan; Wells, Tyrone; Le, Rosemary Khuu; Ragauskas, Arthur Jonas] Univ Tennessee, Dept Chem & Bimol Engn, 323-B Dougherty Engn Bldg, Knoxville, TN 37996 USA.
[Ragauskas, Arthur Jonas] Univ Tennessee, Dept Forestry Wildlife & Fisheries, Ctr Renewable Carbon, 323-B Dougherty Engn Bldg, Knoxville, TN 37996 USA.
[Sadeghifar, Fatemeh] North Carolina State Univ, Dept Biol Sci, Dan Allen St, Raleigh, NC 27695 USA.
[Yuan, Joshua S.] Texas A&M Univ, Texas A&M Agrilife Synthet & Syst Biol Innovat Hu, College Stn, TX 77843 USA.
[Ragauskas, Arthur Jonas] Oak Ridge Natl Lab, Biosci Div, Joint Inst Biol Sci, POB 2008, Oak Ridge, TN 37831 USA.
RP Ragauskas, AJ (reprint author), Univ Tennessee, Dept Chem & Bimol Engn, 323-B Dougherty Engn Bldg, Knoxville, TN 37996 USA.; Ragauskas, AJ (reprint author), Univ Tennessee, Dept Forestry Wildlife & Fisheries, Ctr Renewable Carbon, 323-B Dougherty Engn Bldg, Knoxville, TN 37996 USA.; Ragauskas, AJ (reprint author), Oak Ridge Natl Lab, Biosci Div, Joint Inst Biol Sci, POB 2008, Oak Ridge, TN 37831 USA.
EM aragausk@utk.edu
FU U.S. DOE (Department of Energy), EERE (Energy Efficiency and Renewable
Energy), BETO (Bioenergy Technology Office) [DE-EE0006112]
FX The authors wish to acknowledge the support of the U.S. DOE (Department
of Energy), EERE (Energy Efficiency and Renewable Energy), BETO
(Bioenergy Technology Office) (grant no. DE-EE0006112).
NR 36
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U1 9
U2 9
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2168-0485
J9 ACS SUSTAIN CHEM ENG
JI ACS Sustain. Chem. Eng.
PD JAN
PY 2017
VL 5
IS 1
BP 580
EP 587
DI 10.1021/acssuschemeng.6b01955
PG 8
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY;
Engineering, Chemical
SC Chemistry; Science & Technology - Other Topics; Engineering
GA EG7RH
UT WOS:000391246000064
ER
PT J
AU Roberts, EJ
Habas, SE
Wang, L
Ruddy, DA
White, EA
Baddour, FG
Griffin, MB
Schaidle, JA
Malmstadt, N
Brutchey, RL
AF Roberts, Emily J.
Habas, Susan E.
Wang, Lu
Ruddy, Daniel A.
White, Erick A.
Baddour, Frederick G.
Griffin, Michael B.
Schaidle, Joshua A.
Malmstadt, Noah
Brutchey, Richard L.
TI High-Throughput Continuous Flow Synthesis of Nickel Nanoparticles for
the Catalytic Hydrodeoxygenation of Guaiacol
SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING
LA English
DT Article
DE Nickel nanoparticles; Microreactor; Millifluidics; Ex-situ catalytic
fast pyrolysis; Hydrodeoxygenation; Lignin model compound
ID SCALABLE PRODUCTION; OXYGEN REDUCTION; DROPLET REACTORS; MODEL
COMPOUNDS; PYROLYSIS OIL; SCALE-UP; METAL; DEOXYGENATION; CONVERSION;
SYSTEMS
AB The translation of batch chemistries to high throughput flow methods addresses scaling concerns associated with the implementation of colloidal nanoparticle (NP) catalysts for industrial processes. A literature procedure for the synthesis of Ni-NPs was adapted to a continuous millifluidic (mF) flow method, achieving yields >60%. Conversely, NPs prepared in a batch (B) reaction under conditions analogous to the continuous flow conditions gave only a 45% yield. Both mF- and B-Ni-NP catalysts were supported on SiO2 and compared to a Ni/SiO2 catalyst prepared by traditional incipient wetness (IW) impregnation for the hydrodeoxygenation (HDO) of guaiacol under ex situ catalytic fast pyrolysis conditions (350 degrees C, 0.5 MPa). Compared to the IW method, both colloidal NPs displayed increased morphological control and narrowed size distributions, and the NPs prepared by both methods showed similar size, shape, and crystallinity. The Ni-NP catalyst synthesized by the continuous flow method exhibited similar H-adsorption site densities, site-time yields, and selectivities toward deoxygenated products compared to the analogous batch-prepared catalyst, and it outperformed the BY catalyst with respect to higher selectivity to lower oxygen content products and a 31-fold decrease in deactivation rate. These results demonstrate the utility of synthesizing colloidal Ni-NP catalysts using flow methods that can produce >27 g/day of Ni-NPs (equivalent to >0.5 kg of 5 wt % Ni/SiO2), while maintaining the catalytic properties displayed by the batch equivalent.
C1 [Roberts, Emily J.; Malmstadt, Noah; Brutchey, Richard L.] Univ Southern Calif, Dept Chem, 840 Downey Way, Los Angeles, CA 90089 USA.
[Habas, Susan E.; Ruddy, Daniel A.; White, Erick A.; Baddour, Frederick G.; Griffin, Michael B.; Schaidle, Joshua A.] Natl Bioenergy Ctr, Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
[Wang, Lu; Malmstadt, Noah] Univ Southern Calif, Mork Family Dept Chem Engn & Mat Sci, 925 Bloom Walk, Los Angeles, CA 90089 USA.
RP Malmstadt, N; Brutchey, RL (reprint author), Univ Southern Calif, Dept Chem, 840 Downey Way, Los Angeles, CA 90089 USA.; Habas, SE (reprint author), Natl Bioenergy Ctr, Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.; Malmstadt, N (reprint author), Univ Southern Calif, Mork Family Dept Chem Engn & Mat Sci, 925 Bloom Walk, Los Angeles, CA 90089 USA.
EM susan.habas@nrel.gov; malmstad@usc.edu; brutchey@usc.edu
RI Roberts, Emily/E-3045-2017
OI Roberts, Emily/0000-0002-1747-6043
FU NSF [CMMI-1436872]; DOE Bioenergy Technologies Office
[DE-AC36-08-GO28308]
FX R.L.B and N.M. acknowledge NSF for supporting the synthetic chemistry
and mF work under CMMI-1436872. The catalytic testing was supported by
DOE Bioenergy Technologies Office under Contract No. DE-AC36-08-GO28308.
The authors thank V. Witte (NREL) for assistance with catalytic testing
and A. Starace (NREL) for assistance with TGA experiments.
NR 47
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U2 16
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2168-0485
J9 ACS SUSTAIN CHEM ENG
JI ACS Sustain. Chem. Eng.
PD JAN
PY 2017
VL 5
IS 1
BP 632
EP 639
DI 10.1021/acssuschemeng.6b02009
PG 8
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY;
Engineering, Chemical
SC Chemistry; Science & Technology - Other Topics; Engineering
GA EG7RH
UT WOS:000391246000070
ER
PT J
AU Williams, CL
Westover, TL
Petkovic, LM
Matthews, AC
Stevens, DM
Nelson, KR
AF Williams, C. Luke
Westover, Tyler L.
Petkovic, Lucia M.
Matthews, Austin C.
Stevens, Daniel M.
Nelson, Kelli R.
TI Determining Thermal Transport Properties for Softwoods Under Pyrolysis
Conditions
SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING
LA English
DT Article
DE Biomass; Conductivity; Diffusivity; Pyrolysis; Anisotropic
ID LARGE WOOD PARTICLES; BIOMASS PYROLYSIS; CONDUCTIVITY; BIOFUELS; HEAT;
COMBUSTION; FUELS; DIFFUSIVITY; FEEDSTOCKS; CONVERSION
AB The thermal properties of biomass over a range of pyrolysis temperatures have been measured using a Transient Plane Source (TPS) instrument and a differential thermal analyzer (DTA). In this study, thermal property measurements were made on six softwoods: subalpine fir, Douglas fir, Engelmann spruce, loblolly pine, lodgepole pine, and ponderosa pine. Results from this method show that the average thermal conductivity for these softwoods decreases by almost a factor of 3, from 0.198 to 0.091 W/(m K), as the wood goes from ambient conditions to a pyrolysis temperature of 453 degrees C. Over the same temperature range the average thermal diffusivity increases from 0.313 to 0.427 mm(2)/s, and the specific heat decreases from 1.58 to 0.93 kJ/(kg K). Investigation of the anisotropic nature of heat transport through lignocellulosic biomass found that heat transport is generally three to four times faster along the grain of the wood than across the wood pores, and studies on the rate at which thermal conductivity and diffusivity change with temperature revealed only a slight increase over 50-300 degrees C. It has also been shown that the thermal conductivity of a material correlates strongly with the density throughout the pyrolysis regime. This correlation with density has been shown before for the moisture content of green wood but not through the range of material changes associated with pyrolysis. The direct measurement of these anisotropic thermal properties has the ability to enhance modeling of lignocellulosic biomass pyrolysis and provide new insight into heat transfer through a naturally occurring lignocellidosic material.
C1 [Williams, C. Luke; Westover, Tyler L.; Petkovic, Lucia M.; Matthews, Austin C.; Stevens, Daniel M.; Nelson, Kelli R.] Idaho Natl Lab, 2525 Freemont Ave, Idaho Falls, ID 83415 USA.
RP Williams, CL (reprint author), Idaho Natl Lab, 2525 Freemont Ave, Idaho Falls, ID 83415 USA.
EM luke.williams@inl.gov
FU U.S. Department of Energy under Department of Energy Idaho Operations
Office [DE-AC07-05ID14517]
FX This research was supported by the U.S. Department of Energy under
Department of Energy Idaho Operations Office Contract No.
DE-AC07-05ID14517. The U.S. Government retains and the publisher, by
accepting the article for publication, acknowledges that the U.S.
Government retains a nonexclusive, paid-up, irrevocable, worldwide
license to publish or reproduce the published form of this manuscript,
or allow others to do so, for U.S. Government purposes.
NR 41
TC 0
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U1 1
U2 1
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2168-0485
J9 ACS SUSTAIN CHEM ENG
JI ACS Sustain. Chem. Eng.
PD JAN
PY 2017
VL 5
IS 1
BP 1019
EP 1025
DI 10.1021/acssuschemeng.6b02326
PG 7
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY;
Engineering, Chemical
SC Chemistry; Science & Technology - Other Topics; Engineering
GA EG7RH
UT WOS:000391246000117
ER
PT J
AU Pecha, MB
Garcia-Perez, M
Foust, TD
Ciesielski, PN
AF Pecha, M. Brennan
Garcia-Perez, Manuel
Foust, Thomas D.
Ciesielski, Peter N.
TI Estimation of Heat Transfer Coefficients for Biomass Particles by Direct
Numerical Simulation Using Microstructured Particle Models in the
Laminar Regime
SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING
LA English
DT Article
DE Biomass; Pyrolysis; Heat transfer coefficient; Particle modeling; Direct
numerical simulation
ID FLUIDIZED-BED REACTOR; FAST PYROLYSIS; DEVOLATILIZATION; DISPERSION;
MASS
AB Direct numerical simulation of convective heat transfer from hot gas to isolated biomass particle models with realistic morphology and explicit microstructure was performed over a range of conditions in the laminar regime. Steady-state results demonstrated that convective interfacial heat transfer is dependent on the wood species. The computed heat transfer coefficients were shown to vary between the pine and aspen models by nearly 20%. These differences are attributed to the species-specific variations in the exterior surface morphology of the biomass particles. We also quantify variations in heat transfer experienced by the particle when positioned in different orientations with respect to the direction of Fluid flow. These results are compared to previously reported heat transfer coefficient correlations in the range of 0.1 < Pr < 1.5 and 10 < Re < 500. Comparison of these simulation results to correlations commonly used in the literature (Gunn, Ranz-Marshall, and Bird-Stewart-Lightfoot) shows that the Ranz-Marshall (sphere) correlation gave the closest h values to our steady-state simulations for both wood species, though no existing correlation was within 20% of both species at all conditions studied. In general, this work exemplifies the fact that all biomass feedstocks are not created equal, and that their species-specific characteristics must be appreciated in order to facilitate accurate simulations of conversion processes.
C1 [Pecha, M. Brennan; Foust, Thomas D.; Ciesielski, Peter N.] Natl Renewable Energy Lab, Biosci Ctr, 1503 Denver W Pkwy, Golden, CO 80401 USA.
[Pecha, M. Brennan; Garcia-Perez, Manuel] Washington State Univ, Dept Biol Syst Engn, LJ Smith Hall,1935 E Grimes Way, Pullman, WA 99164 USA.
RP Ciesielski, PN (reprint author), Natl Renewable Energy Lab, Biosci Ctr, 1503 Denver W Pkwy, Golden, CO 80401 USA.
EM Peter.Ciesielski@nrel.gov
FU Computational Pyrolysis Consortium (CPC) - Bioenergy Technologies Office
(BETO) of the U.S. Department of Energy; National Science Foundation
[CBET-1434073, CBET-1150430]
FX Support for this work was provided by the Computational Pyrolysis
Consortium (CPC) funded by the Bioenergy Technologies Office (BETO) of
the U.S. Department of Energy. M.B.P. and M.G.-P. also acknowledge
funding from the National Science Foundation (CBET-1434073, CAREER
CBET-1150430).
NR 32
TC 0
Z9 0
U1 1
U2 1
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2168-0485
J9 ACS SUSTAIN CHEM ENG
JI ACS Sustain. Chem. Eng.
PD JAN
PY 2017
VL 5
IS 1
BP 1046
EP 1053
DI 10.1021/acssuschemeng.6b02341
PG 8
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY;
Engineering, Chemical
SC Chemistry; Science & Technology - Other Topics; Engineering
GA EG7RH
UT WOS:000391246000120
ER
PT J
AU Zheng, XY
Zhang, X
Schocker, NS
Renslow, RS
Orton, DJ
Khamsi, J
Ashmus, RA
Almeida, IC
Tang, KQ
Costello, CE
Smith, RD
Michael, K
Baker, ES
AF Zheng, Xueyun
Zhang, Xing
Schocker, Nathaniel S.
Renslow, Ryan S.
Orton, Daniel J.
Khamsi, Jamal
Ashmus, Roger A.
Almeida, Igor C.
Tang, Keqi
Costello, Catherine E.
Smith, Richard D.
Michael, Katja
Baker, Erin S.
TI Enhancing glycan isomer separations with metal ions and positive and
negative polarity ion mobility spectrometry-mass spectrometry analyses
SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY
LA English
DT Article
DE Ion mobility spectrometry; Mass spectrometry; Glycans; O-Glycans;
Isomers
ID ALPHA-GALACTOSYL ANTIBODIES; COLLISION CROSS-SECTIONS; CHRONIC
CHAGAS-DISEASE; TRYPANOSOMA-CRUZI; GLYCOSYLATION; DENSITY;
OLIGOSACCHARIDES; TRYPOMASTIGOTES; GLYCOMICS; MECHANISM
AB Glycomics has become an increasingly important field of research since glycans play critical roles in biology processes ranging from molecular recognition and signaling to cellular communication. Glycans often conjugate with other biomolecules, such as proteins and lipids, and alter their properties and functions, so glycan characterization is essential for understanding the effects they have on cellular systems. However, the analysis of glycans is extremely difficult due to their complexity and structural diversity (i.e., the number and identity of monomer units, and configuration of their glycosidic linkages and connectivities). In this work, we coupled ion mobility spectrometry with mass spectrometry (IMS-MS) to characterize glycan standards and biologically important isomers of synthetic alpha Gal-containing O-glycans including glycotopes of the protozoan parasite Trypanosoma cruzi, which is the causative agent of Chagas disease. IMS-MS results showed significant differences for the glycan structural isomers when analyzed in positive and negative polarity and complexed with different metal cations. These results suggest that specific metal ions or ion polarities could be used to target and baseline separate glycan isomers of interest with IMS-MS.
C1 [Zheng, Xueyun; Renslow, Ryan S.; Orton, Daniel J.; Tang, Keqi; Smith, Richard D.; Baker, Erin S.] Pacific Northwest Natl Lab, Earth & Biol Sci Directorate, 902 Battelle Blvd,POB 999,MSIN K8-98, Richland, WA 99352 USA.
[Zhang, Xing] Univ Colorado, Skaggs Sch Pharm & Pharmaceut Sci, Anschutz Med Campus,1380 Lawrence St, Denver, CO 80204 USA.
[Schocker, Nathaniel S.; Khamsi, Jamal; Ashmus, Roger A.; Michael, Katja] Univ Texas El Paso, Dept Chem, 500 West Univ Ave, El Paso, TX 79968 USA.
[Schocker, Nathaniel S.; Khamsi, Jamal; Ashmus, Roger A.; Michael, Katja] Univ Texas El Paso, Border Biomed Res Ctr, 500 West Univ Ave, El Paso, TX 79968 USA.
[Almeida, Igor C.] Univ Texas El Paso, Dept Biol Sci, 500 West Univ Ave, El Paso, TX 79968 USA.
[Almeida, Igor C.] Univ Texas El Paso, Border Biomed Res Ctr, 500 West Univ Ave, El Paso, TX 79968 USA.
[Costello, Catherine E.] Boston Univ, Sch Med, Ctr Biomed Mass Spectrometry, 670 Albany St, Boston, MA 02118 USA.
RP Baker, ES (reprint author), Pacific Northwest Natl Lab, Earth & Biol Sci Directorate, 902 Battelle Blvd,POB 999,MSIN K8-98, Richland, WA 99352 USA.; Michael, K (reprint author), Univ Texas El Paso, Dept Chem, 500 West Univ Ave, El Paso, TX 79968 USA.; Michael, K (reprint author), Univ Texas El Paso, Border Biomed Res Ctr, 500 West Univ Ave, El Paso, TX 79968 USA.
EM kmichael@utep.edu; erin.baker@pnnl.gov
RI Smith, Richard/J-3664-2012;
OI Smith, Richard/0000-0002-2381-2349; Zheng, Xueyun/0000-0001-9782-4521
FU National Institute of Environmental Health Sciences of the NIH
[R01ES022190]; NIH [R21CA199744, R21AI079618, R21AI115451]; Robert J.
Kleberg Jr. and Helen C. Kleberg Foundation; Bridges to the Doctorate
scholarship (NSF) [HRD-1139929]; Biomolecule Analysis Core Facility at
UTEP, NIHMD [G12MD007592]; National Institute of General Medical
Sciences [P41 GM103493, P41 GM104603]; Laboratory Directed Research and
Development Program; Microbes in Transition (MinT) Initiative at Pacific
Northwest National Laboratory; U.S. Department of Energy Office of
Biological and Environmental Research Genome Sciences Program; DOE
[DE-AC05-76RL01830]
FX Portions of this research were supported by grants from the National
Institute of Environmental Health Sciences of the NIH (R01ES022190)
(ESB), NIH grant R21CA199744 (KT), NIH grants R21AI079618 and
R21AI115451 (ICA and KM), Robert J. Kleberg Jr. and Helen C. Kleberg
Foundation grant (ICA and KM), Bridges to the Doctorate scholarship (NSF
grants HRD-1139929) (NSS), Biomolecule Analysis Core Facility at UTEP,
NIHMD grant G12MD007592, National Institute of General Medical Sciences
grants P41 GM103493 (RDS) and P41 GM104603 (CEC), the Laboratory
Directed Research and Development Program, and the Microbes in
Transition (MinT) Initiative at Pacific Northwest National Laboratory.
This research utilized capabilities developed by the Pan-omics program
(funded by the U.S. Department of Energy Office of Biological and
Environmental Research Genome Sciences Program). This work was performed
in the W. R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a
DOE national scientific user facility at the Pacific Northwest National
Laboratory (PNNL). PNNL is operated by Battelle for the DOE under
contract DE-AC05-76RL01830.
NR 63
TC 3
Z9 3
U1 7
U2 7
PU SPRINGER HEIDELBERG
PI HEIDELBERG
PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY
SN 1618-2642
EI 1618-2650
J9 ANAL BIOANAL CHEM
JI Anal. Bioanal. Chem.
PD JAN
PY 2017
VL 409
IS 2
BP 467
EP 476
DI 10.1007/s00216-016-9866-4
PG 10
WC Biochemical Research Methods; Chemistry, Analytical
SC Biochemistry & Molecular Biology; Chemistry
GA EG9FM
UT WOS:000391364200010
PM 27604268
ER
PT J
AU Kirshenbaum, M
AF Kirshenbaum, Marvin
TI Optimized Energy Recovery
SO ASHRAE JOURNAL
LA English
DT Article
AB Heat recovery is a common approach to improving the energy efficiency for a wide spectrum of building types. For commercial and research facilities, this is often restricted to preheating and some limited precooling of outdoor air. Most buildings rely on some form of heat for temperature control throughout the year, and some tap into available waste heat sources to fulfill some or all of this need. Expanding the reach of available waste heat would provide significant enhancement to a building's energy efficiency. Beyond this, tapping into waste heat streams to provide primary building heating in cold climates can open up new avenues for additional energy conservation.
C1 [Kirshenbaum, Marvin] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Kirshenbaum, M (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
FU U.S. Department of Energy, Office of Science [DE-AC02-06CH11357]
FX This work was partially supported by the U.S. Department of Energy,
Office of Science under contract DE-AC02-06CH11357.
NR 3
TC 0
Z9 0
U1 1
U2 1
PU AMER SOC HEATING REFRIGERATING AIR-CONDITIONING ENG, INC,
PI ATLANTA
PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA
SN 0001-2491
EI 1943-6637
J9 ASHRAE J
JI ASHRAE J.
PD JAN
PY 2017
VL 59
IS 1
BP 30
EP 40
PG 11
WC Thermodynamics; Construction & Building Technology; Engineering,
Mechanical
SC Thermodynamics; Construction & Building Technology; Engineering
GA EG9BN
UT WOS:000391352100011
ER
PT J
AU Fan, L
Jacobs, CB
Rouleau, CM
Eres, G
AF Fan, Lisha
Jacobs, Christopher B.
Rouleau, Christopher M.
Eres, Gyula
TI Stabilizing Ir(001) Epitaxy on Yttria-Stabilized Zirconia Using a Thin
Ir Seed Layer Grown by Pulsed Laser Deposition
SO CRYSTAL GROWTH & DESIGN
LA English
DT Article
ID DIAMOND NUCLEATION; FILMS; SURFACE; METALS; SUBSTRATE; IRIDIUM; SRTIO3;
PLANE; TIO2; SI
AB We demonstrate the reproducible epitaxial growth of 100 nm thick Ir(001) films on a heteroepitaxial stack consisting of 5 nm Ir and 100 nm yttria-stabilized zirconia (YSZ) grown on Si(001) substrates. It is shown that a 5 nm thick Ir layer grown by pulsed laser deposition in the same chamber as the YSZ film without breaking the vacuum is. the key to stabilizing Ir(001) epitaxial growth. Growth of the Ir seed layer with pure (001) orientation occurs only in a narrow growth temperature window from 550 to 750 degrees C, and the fraction of Ir(111) increases at substrate temperatures outside of this window. The Ir seed layer prevents exposure of the YSZ film to air during sample transfer and enables highly reproducible Ir(001) heteroepitaxy on YSZ buffered Si(001). In contrast, if Ir is grown;directly on a bare YSZ layer that was exposed to ambient conditions, the films are prone to change orientation to (111). These results reveal that preserving the chemical and structural purity of the YSZ surface is imperative for achieving Ir(001) epitaxy. The narrow range of the mosaic spread values from eight experiments demonstrates the high yield and high reproducibility of Ir(001) heteroepitaxy by this approach. The unproved Ir(001) epitaxial growth method is of great significance for integrating a variety of technologically materials such as diamond, graphene, and functional oxides on a Si platform.
C1 [Eres, Gyula] Oak Ridge Natl Lab, Mat Sci & Technol Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Eres, G (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM eresg@ornl.gov
RI Eres, Gyula/C-4656-2017
OI Eres, Gyula/0000-0003-2690-5214
FU Laboratory Directed Research and Development Program of Oak Ridge
National Laboratory; U.S. Department of Energy (DOE), Office of Science,
Basic Energy Sciences, Materials Sciences and Engineering Division;
Scientific User Facilities Division, Office of Basic Energy Sciences,
U.S. Department of Energy
FX Research sponsored by the Laboratory Directed Research and Development
Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC,
for the U.S. Department of Energy. Research by G.E. sponsored by the
U.S. Department of Energy (DOE), Office of Science, Basic Energy
Sciences, Materials Sciences and Engineering Division. Part of this
research was performed at the Center for Nanophase Materials Sciences,
which is sponsored at Oak Ridge National Laboratory by the Scientific
User Facilities Division, Office of Basic Energy Sciences, U.S.
Department of Energy.
NR 30
TC 0
Z9 0
U1 3
U2 3
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1528-7483
EI 1528-7505
J9 CRYST GROWTH DES
JI Cryst. Growth Des.
PD JAN
PY 2017
VL 17
IS 1
BP 89
EP 94
DI 10.1021/acs.cgd.6b01267
PG 6
WC Chemistry, Multidisciplinary; Crystallography; Materials Science,
Multidisciplinary
SC Chemistry; Crystallography; Materials Science
GA EG9YI
UT WOS:000391417300014
ER
PT J
AU Pareja-Rivera, C
Cuellar-Cruz, M
Esturau-Escofet, N
Demitri, N
Polentarutti, M
Stojanoff, V
Moreno, A
AF Pareja-Rivera, Carina
Cuellar-Cruz, Mayra
Esturau-Escofet, Nuria
Demitri, Nicola
Polentarutti, Maurizio
Stojanoff, Vivian
Moreno, Abel
TI Recent Advances in the Understanding of the Influence of Electric and
Magnetic Fields on Protein Crystal Growth
SO CRYSTAL GROWTH & DESIGN
LA English
DT Article
ID WHITE LYSOZYME CRYSTALS; STRUCTURAL-CHARACTERIZATION; CRYSTALLIZATION;
CRYSTALLOGRAPHY; NUCLEATION; QUALITY; DEVICE; ORIENTATION; IMPROVEMENT;
REFINEMENT
AB In this contribution we use nonconventional methods that help to increase the success rate of a protein crystal growth, and consequently of structural projects using Xray diffraction techniques. In order to achieve this purpose, this contribution presents new approaches involving more sophisticated techniques of protein crystallization, not just for growing protein crystals of different sizes by using electric fields, but also for controlling crystal size and orientation. This latter was possible through the use of magnetic fields that allow to obtain protein crystals suitable for both high-resolution X-ray and neutron diffraction crystallography where big crystals are required. This contribution discusses some pros, cons and realities of the role of electromagnetic fields in protein crystallization research, and their effect on protein crystal contacts. Additionally, we discuss the importance of room and low temperatures during data collection. Finally, we also discuss the effect of applying a rather strong magnetic field of 16.5 T, for shorts and long periods of time, on protein crystal growth, and on the 3D structure of two model proteins.
C1 [Pareja-Rivera, Carina; Esturau-Escofet, Nuria; Moreno, Abel] Univ Nacl Autonoma Mexico, Inst Quim, Ave Univ 3000,Ciudad Univ, Mexico City 04510, DF, Mexico.
[Cuellar-Cruz, Mayra] Univ Guanajuato, Dept Biol, Div Ciencias Nat & Exactas, Campus Guanajuato,Noria Alta S-N, Guanajuato 36050, Guanajuato, Mexico.
[Demitri, Nicola; Polentarutti, Maurizio] Elettra Sincrotrone Trieste, SS 14 Km 163-5 Area Sci Pk, I-34149 Basovizza Trieste, Italy.
[Stojanoff, Vivian] NSLS Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Moreno, A (reprint author), Univ Nacl Autonoma Mexico, Inst Quim, Ave Univ 3000,Ciudad Univ, Mexico City 04510, DF, Mexico.
EM carcamo@unam.mx
FU NSLSII scientist under NIGMS [P41GM103393, P41 GM111244-01]; DOE
[DE-AC02-76SF00515, DE-SC0012704]; CONACYT Mexico [576597, 0224747];
DGAPA UNAM [IT200215]; UNAM; XRD1-Hard X-ray Diffraction Beamline;
Structural Biology Laboratory of the Elettra Synchrotron, in Italy
FX The authors (M.C.C. and A.M.) acknowledge the XRD1-Hard X-ray
Diffraction Beamline and Structural Biology Laboratory of the Elettra
Synchrotron, in Italy for the support and beamtime awarded to collect
data from the different protein crystals at room temperature. Research
reported herein was performed in part at the BL 14-1 at the SSRL and
supported by NSLSII scientist under NIGMS contracts P41GM103393 and P41
GM111244-01 and DOE contracts DE-AC02-76SF00515 and DE-SC0012704. One of
the authors (A.M.) acknowledges to Prof. Dr. Antonio Romero-Garrido from
the CIB-C.S.I.C. Madrid (Spain) for the crystallographic support in
solving the 3D structures, and data analyses during the intership of
Carina Pareja-Rivera sponsored by CONACYT Mexico (Scholarship holder No.
576597). The same author (A.M.) thanks to DGAPA UNAM for the support of
the project No. IT200215. The authors acknowledge to Ms. Antonia
Sanchez-Marin for the English style correction of this manuscript. This
study made use of UNAM's NMR lab: LURMN at IQ-UNAM, which is funded by
CONACYT Mexico (Project: 0224747), and UNAM.
NR 54
TC 0
Z9 0
U1 5
U2 5
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1528-7483
EI 1528-7505
J9 CRYST GROWTH DES
JI Cryst. Growth Des.
PD JAN
PY 2017
VL 17
IS 1
BP 135
EP 145
DI 10.1021/acs.cgd.6b01362
PG 11
WC Chemistry, Multidisciplinary; Crystallography; Materials Science,
Multidisciplinary
SC Chemistry; Crystallography; Materials Science
GA EG9YI
UT WOS:000391417300020
ER
PT J
AU Chen, J
Ibrahim, M
Kumar, R
AF Chen, Jun
Ibrahim, Mariam
Kumar, Ratnesh
TI Quantification of Secrecy in Partially Observed Stochastic Discrete
Event Systems
SO IEEE TRANSACTIONS ON AUTOMATION SCIENCE AND ENGINEERING
LA English
DT Article
DE Discrete event systems (DESs); Jensen-Shannon divergence (JSD); partial
observability; secrecy quantification; stochastic systems
ID MARKOV-CHAINS; DIAGNOSABILITY; OPACITY; VERIFICATION
AB While cryptography is used to protect the content of information (e.g., a message) by making it undecipherable, behaviors (as opposed to information) may not be encrypted and may only be protected by partially or fully hiding through creation of ambiguity (by providing covers that generate indistinguishable observations from secrets). Having a cover together with partial observability does cause ambiguity about the system behaviors desired to be kept secret, yet some information about secrets may still be leaked due to statistical difference between the occurrence probabilities of the secrets and their covers. In this paper, we propose a Jensen-Shannon divergence (JSD)-based measure to quantify secrecy loss in systems modeled as partially observed stochastic discrete event systems, which quantifies the statistical difference between two distributions, one over the observations generated by secret and the other over those generated by cover. We further show that the proposed JSD measure for secrecy loss is equivalent to the mutual information between the distributions over possible observations and that over possible system status (secret versus cover). Since an adversary is likely to discriminate more if he/she observes for a longer period, our goal is to evaluate the worst case loss of secrecy as obtained in the limit over longer and longer observations. Computation for the proposed measure is also presented. Illustrative examples, including the one with side-channel attack, are provided to demonstrate the proposed computation approach.
Note to Practitioners-Secrecy is the ability to hide private information. For communicated information, this can be done through encryption or access control. However, the same is not possible for system behaviors, and in contrast, cover is introduced for providing ambiguity. Quantifying the ability to hide secrets is a challenge. This paper provides a means to quantify this in terms of a type of distance measure between a secret and its cover. A computation of the same is also provided for partially observed stochastic discrete event systems and illustrated through a cache's side-channel secrecy loss example.
C1 [Chen, Jun] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
[Ibrahim, Mariam; Kumar, Ratnesh] Iowa State Univ, Dept Elect & Comp Engn, Ames, IA 50011 USA.
[Ibrahim, Mariam] German Jordanian Univ, Dept Mechatron Engn, Amman 11180, Jordan.
RP Chen, J (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA.
EM jun.chen@inl.gov; mariami@iastate.edu; rkumar@iastate.edu
OI Chen, Jun/0000-0002-0934-8519
FU PNNL; John Deere through NSF-IUCRC, Security and Software Engineering
Research Center; National Science Foundation [NSF-CCF-1331390,
NSF-ECCS-1509420]
FX This work was supported in part by PNNL and John Deere through
NSF-IUCRC, Security and Software Engineering Research Center and in part
by the National Science Foundation under Grant NSF-CCF-1331390 and Grant
NSF-ECCS-1509420.
NR 30
TC 0
Z9 0
U1 1
U2 1
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 1545-5955
EI 1558-3783
J9 IEEE T AUTOM SCI ENG
JI IEEE Trans. Autom. Sci. Eng.
PD JAN
PY 2017
VL 14
IS 1
BP 185
EP 195
DI 10.1109/TASE.2016.2604222
PG 11
WC Automation & Control Systems
SC Automation & Control Systems
GA EG9MJ
UT WOS:000391382700017
ER
PT J
AU Oh, SY
Lunderberg, JM
Chateau, A
Schneewind, O
Missiakas, D
AF Oh, So-Young
Lunderberg, J. Mark
Chateau, Alice
Schneewind, Olaf
Missiakas, Dominique
TI Genes Required for Bacillus anthracis Secondary Cell Wall Polysaccharide
Synthesis
SO JOURNAL OF BACTERIOLOGY
LA English
DT Article
DE Bacillus anthracis; S-layers; Wzy repeat polymerase; cell wall
polysaccharide; envelope assembly
ID S-LAYER PROTEINS; STAPHYLOCOCCUS-AUREUS; STREPTOCOCCUS-PNEUMONIAE;
TEICHOIC-ACIDS; FUNCTIONAL-CHARACTERIZATION; VEGETATIVE GROWTH; CAPSULE
LOCUS; CHAIN-LENGTH; ANTIGEN; BIOSYNTHESIS
AB The secondary cell wall polysaccharide (SCWP) is thought to be essential for vegetative growth and surface (S)-layer assembly in Bacillus anthracis; however, the genetic determinants for the assembly of its trisaccharide repeat structure are not known. Here, we report that WpaA (BAS0847) and WpaB (BAS5274) share features with membrane proteins involved in the assembly of O-antigen lipopolysaccharide in Gram-negative bacteria and propose that WpaA and WpaB contribute to the assembly of the SCWP in B. anthracis. Vegetative forms of the B. anthracis wpaA mutant displayed increased lengths of cell chains, a cell separation defect that was attributed to mislocalization of the S-layer-associated murein hydrolases BslO, BslS, and BslT. The wpaB mutant was defective in vegetative replication during early logarithmic growth and formed smaller colonies. Deletion of both genes, wpaA and wpaB, did not yield viable bacilli, and when depleted of both wpaA and wpaB, B. anthracis could not maintain cell shape, support vegetative growth, or assemble SCWP. We propose that WpaA and WpaB fulfill overlapping glycosyltransferase functions of either polymerizing repeat units or transferring SCWP polymers to linkage units prior to LCP-mediated anchoring of the polysaccharide to peptidoglycan.
IMPORTANCE The secondary cell wall polysaccharide (SCWP) is essential for Bacillus anthracis growth, cell shape, and division. SCWP is comprised of trisaccharide repeats (-> 4)-beta-ManNAc-(1 -> 4)-beta-GlcNAc-(1 -> 6)-alpha-GlcNAc-(1 ->) with alpha-Gal and beta-Gal substitutions; however, the genetic determinants and enzymes for SCWP synthesis are not known. Here, we identify WpaA and WpaB and report that depletion of these factors affects vegetative growth, cell shape, and S-layer assembly. We hypothesize that WpaA and WpaB are involved in the assembly of SCWP prior to transfer of this polymer onto peptidoglycan.
C1 [Missiakas, Dominique] Argonne Natl Lab, Howard Taylor Ricketts Lab, Argonne, IL 60439 USA.
Univ Chicago, Dept Microbiol, Chicago, IL USA.
RP Missiakas, D (reprint author), Argonne Natl Lab, Howard Taylor Ricketts Lab, Argonne, IL 60439 USA.
EM dmissiak@bsd.uchicago.edu
FU National Institutes of Health (NIH) [GM07281]; NIH Ruth L. Kirschstein
National Research Service award [1F30AI110036]; National Institute of
Allergy and Infectious Diseases, Infectious Disease Branch [AI069227]
FX J.M.L. is a trainee of the Medical Scientist Training Program at the
University of Chicago, which is supported by a National Institutes of
Health (NIH) training grant (grant GM07281), and a recipient of the NIH
Ruth L. Kirschstein National Research Service award (number
1F30AI110036). This research was supported by grant AI069227 from the
National Institute of Allergy and Infectious Diseases, Infectious
Disease Branch (to O.S. and D.M.).
NR 54
TC 0
Z9 0
U1 5
U2 5
PU AMER SOC MICROBIOLOGY
PI WASHINGTON
PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA
SN 0021-9193
EI 1098-5530
J9 J BACTERIOL
JI J. Bacteriol.
PD JAN
PY 2017
VL 199
IS 1
AR UNSP e00613
DI 10.1128/JB.00613-16
PG 17
WC Microbiology
SC Microbiology
GA EG8EH
UT WOS:000391288200017
ER
PT J
AU Stock, AM
Zhulin, IB
AF Stock, Ann M.
Zhulin, Igor B.
TI Call for Original Research Papers for a Special Collection in Journal of
Bacteriology: Two-Component Signal Transduction
SO JOURNAL OF BACTERIOLOGY
LA English
DT Editorial Material
DE gene regulation; sensory transduction processes; signal transduction;
two-component regulatory systems
C1 [Stock, Ann M.] Rutgers State Univ, Robert Wood Johnson Med Sch, Dept Biochem & Mol Biol, Piscataway, NJ 08854 USA.
[Zhulin, Igor B.] Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA.
[Zhulin, Igor B.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37830 USA.
RP Stock, AM (reprint author), Rutgers State Univ, Robert Wood Johnson Med Sch, Dept Biochem & Mol Biol, Piscataway, NJ 08854 USA.; Zhulin, IB (reprint author), Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA.; Zhulin, IB (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37830 USA.
EM stock@cabm.rutgers.edu; ijouline@utk.edu
OI Zhulin, Igor/0000-0002-6708-5323
NR 0
TC 0
Z9 0
U1 4
U2 4
PU AMER SOC MICROBIOLOGY
PI WASHINGTON
PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA
SN 0021-9193
EI 1098-5530
J9 J BACTERIOL
JI J. Bacteriol.
PD JAN
PY 2017
VL 199
IS 2
AR UNSP e00748
DI 10.1128/JB.00748-16
PG 1
WC Microbiology
SC Microbiology
GA EG8EL
UT WOS:000391288600001
ER
PT J
AU Lieberman, HR
Bukhari, AS
Caldwell, JA
Wilson, MA
Mahoney, CR
Pasiakos, SM
McClung, JP
Smith, TJ
AF Lieberman, Harris R.
Bukhari, Asma S.
Caldwell, John A.
Wilson, Marques A.
Mahoney, Caroline R.
Pasiakos, Stefan M.
McClung, James P.
Smith, Tracey J.
TI Two Days of Calorie Deprivation Induced by Underfeeding and Aerobic
Exercise Degrades Mood and Lowers Interstitial Glucose but Does Not
Impair Cognitive Function in Young Adults
SO JOURNAL OF NUTRITION
LA English
DT Article
DE fatigue; depression; vigilance; working memory; reasoning; POMS
ID NEGATIVE-ENERGY BALANCE; SLEEP LOSS; SUSTAINED OPERATIONS; HYPOGLYCEMIA
IMPAIRS; ENVIRONMENTAL-STRESS; GLYCEMIC THRESHOLDS; FOOD-DEPRIVATION;
VISUAL VIGILANCE; BLOOD-GLUCOSE; PERFORMANCE
AB Background: In studies assessing the effects of acute undernutrition on cognitive function, volunteers are sedentary and findings are equivocal, even though glucose concentrations fall substantially. However, military personnel and endurance athletes often are underfed when physical demands, and consequently energy expenditure, are substantial.
Objective: The objective of this study was to determine whether 2 d of near-total calorie deprivation,combined with aerobic exercise degraded cognitive performance and-mood.
Methods: A double-blind, placebo-controlled, crossover design was used. Twenty-three volunteers 117 men (mean +/- SD age: 20.5 +/- 0.7 y) and 6 women (mean +/- SD age: 23.3 +/- 1.4 y); mean +/- SD body mass index (in kg/m(2)): 25 +/- 3] participated for 68 h, including a 51-h inpatient phase:in a calorie-deprived or fully fed state during which behavioral testing was conducted and interstitial glucose was monitored continuously. Mood and cognitive performance, including psychomotor and visual vigilance, visual match-to-sample, repeated acquisition (motor learning), N-back (working memory); and grammatical reasoning, were repeatedly assessed. During each condition, individual daily energy intake and expenditure were controlled. During calorie deprivation, volunteers consumed 266 +/- 61 kcal/d; during full feeding, they consumed 3935 +/- 769 kcal/d. Participants engaged in identical exercise sessions for 4 h/d at 40-65% of peak volume of oxygen uptake attained.
Results: Calorie deprivation did not affect any aspect of cognitive performance, but produced robust effects on mood measured-by the Profile of Mood States, including increased tension (P < 0.001), fatigue (P < 0.001), and total mood disturbance (from -0.80 +/- 5.1 to 20.1 +/- 6.1; P< 0.001), and decreased vigor (P= 0.002), as indicated by treatment x trial (time) effects on ANOVA. Interstitial glucose concentrations were lower during calorie deprivation than in the fully fed condition (P = 0.002, treatment X trial interaction) and declined to 61 mg/dL by the end of the treatment condition.
Conclusion: In healthy young men and women, 2 d of severe calorie deprivation in combination with substantial aerobic exercise adversely affects multiple aspects of mood, but not cognition, in spite of substantial reductions in interstitial glucose concentrations. This trial was registered at clinicaltrials.gov as NCT01603550.
C1 [Lieberman, Harris R.; Bukhari, Asma S.; Pasiakos, Stefan M.; McClung, James P.; Smith, Tracey J.] US Army Res Inst Environm Med, Mil Nutr Div, Natick, MA 01760 USA.
[Caldwell, John A.; Wilson, Marques A.] Oak Ridge Associated Univ, Oak Ridge, TN USA.
[Mahoney, Caroline R.] Natick Soldier Res Dev & Engn Ctr, Warfighter Sci Technol & Appl Res, Natick, MA USA.
RP Lieberman, HR (reprint author), US Army Res Inst Environm Med, Mil Nutr Div, Natick, MA 01760 USA.
EM harris.r.liebermanciv@mail.mil
RI Pasiakos, Stefan/E-6295-2014
OI Pasiakos, Stefan/0000-0002-5378-5820
FU US Army Medical Research and Materiel Command
FX This study was funded by the US Army Medical Research and Materiel
Command. This is a free access article, distributed under terms
(http://www.nutrition.org/publications/guidelines-and-policies/license/)
that permit unrestricted noncommercial use, distribution, and
reproduction in any medium, provided the original work is properly cited
NR 46
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U1 7
U2 7
PU AMER SOC NUTRITION-ASN
PI BETHESDA
PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814 USA
SN 0022-3166
EI 1541-6100
J9 J NUTR
JI J. Nutr.
PD JAN
PY 2017
VL 147
IS 1
BP 110
EP 116
DI 10.3945/jn.116.238246
PG 7
WC Nutrition & Dietetics
SC Nutrition & Dietetics
GA EG9AT
UT WOS:000391350100015
PM 27807037
ER
PT J
AU Narcowich, FJ
Rowe, ST
Ward, JD
AF Narcowich, Francis J.
Rowe, Stephen T.
Ward, Joseph D.
TI A NOVEL GALERKIN METHOD FOR SOLVING PDES ON THE SPHERE USING HIGHLY
LOCALIZED KERNEL BASES
SO MATHEMATICS OF COMPUTATION
LA English
DT Article
DE Meshless kernel method; Galerkin; PDEs on the sphere
ID SCATTERED DATA INTERPOLATION; SHALLOW-WATER EQUATIONS; RADIAL BASIS
FUNCTIONS; APPROXIMATION; SPACES; MANIFOLDS; GRIDS
AB The main goal of this paper is to introduce a novel meshless kernel Galerkin method for numerically solving partial differential equations on the sphere. Specifically, we will use this method to treat the partial differential equation for stationary heat conduction on S-2, in an inhomogeneous, anisotropic medium. The Galerkin method used to do this employs spatially well-localized, "small footprint", robust bases for the associated kernel space. The stiffness matrices arising in the problem have entries decaying exponentially fast away from the diagonal. Discretization is achieved by first zeroing out small entries, resulting in a sparse matrix, and then replacing the remaining entries by ones computed via a very efficient kernel quadrature formula for the sphere. Error estimates for the approximate Galerkin solution are also obtained.
C1 [Narcowich, Francis J.; Rowe, Stephen T.; Ward, Joseph D.] Texas A&M Univ, Dept Math, College Stn, TX 77843 USA.
[Rowe, Stephen T.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
RP Narcowich, FJ (reprint author), Texas A&M Univ, Dept Math, College Stn, TX 77843 USA.
EM fnarc@math.tamu.edu; srowe@math.tamu.edu; jward@math.tamu.edu
FU National Science Foundation [DMS-1211566]; Sandia National Laboratories
FX The research of the first author was supported by grant DMS-1211566 from
the National Science Foundation.; The research of the second author was
supported by grant DMS-1211566 from the National Science Foundation and
Sandia National Laboratories.; The research of the third author was
supported by grant DMS-1211566 from the National Science Foundation.
NR 39
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U2 0
PU AMER MATHEMATICAL SOC
PI PROVIDENCE
PA 201 CHARLES ST, PROVIDENCE, RI 02940-2213 USA
SN 0025-5718
EI 1088-6842
J9 MATH COMPUT
JI Math. Comput.
PD JAN
PY 2017
VL 86
IS 303
BP 197
EP 231
DI 10.1090/mcom/3097
PG 35
WC Mathematics, Applied
SC Mathematics
GA EH1RE
UT WOS:000391543900007
ER
PT J
AU Gibson, JS
Srinivasan, SG
Baskes, MI
Miller, RE
Wilson, AK
AF Gibson, J. S.
Srinivasan, S. G.
Baskes, M. I.
Miller, R. E.
Wilson, A. K.
TI A multi-state modified embedded atom method potential for titanium
SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
LA English
DT Article
DE titanium; embedded atom method (EAM); modified embedded atom method
(MEAM); multi-state modified embedded atom method (MS-MEAM); density
functional theory (DFT); hexagonal closed-packed (hcp)
ID INTERATOMIC POTENTIALS; ATOMISTIC SIMULATIONS; METALS; IMPURITIES;
ENERGIES; SURFACES; DEFECTS; SILICON; ALLOYS; MODEL
AB The continuing search for broadly applicable, predictive, and unique potential functions led to the invention of the multi-state modified embedded atom method (MS-MEAM) (Baskes et al 2007 Phys. Rev. B 75 094113). MS-MEAM replaced almost all of the prior arbitrary choices of the MEAM electron densities, embedding energy, pair potential, and angular screening functions by using first-principles computations of energy/volume relationships for multiple reference crystal structures and transformation paths connecting those reference structures. This strategy reasonably captured diverse interactions between atoms with variable coordinations in a face-centered-cubic (fcc)-stable copper system. However, a straightforward application of the original MS-MEAM framework to model technologically useful hexagonal-close-packed (hcp) metals proved elusive. This work describes the development of an hcp-stable/fcc-metastable MS-MEAM to model titanium by introducing a new angular function within the background electron density description. This critical insight enables the titanium MS-MEAM potential to reproduce first principles computations of reference structures and transformation paths extremely well. Importantly, it predicts lattice and elastic constants, defect energetics, and dynamics of non-ideal hcp and liquid titanium in good agreement with first principles computations and corresponding experiments, and often better than the three well-known literature models used as a benchmark. The titanium MS-MEAM has been made available in the Knowledgebase of Interatomic Models (https://openkim.org/) (Tadmor et al 2011 JOM 63 17).
C1 [Gibson, J. S.; Wilson, A. K.] Univ North Texas, Dept Chem, Denton, TX 76203 USA.
[Gibson, J. S.; Wilson, A. K.] Univ North Texas, Ctr Adv Sci Comp & Modeling, Denton, TX 76203 USA.
[Gibson, J. S.; Miller, R. E.] Carleton Univ, Dept Mech & Aerosp Engn, Ottawa, ON K1S 5B6, Canada.
[Srinivasan, S. G.] Univ North Texas, Dept Mat Sci & Engn, Denton, TX 76203 USA.
[Baskes, M. I.] Mississippi State Univ, Bagley Coll Engn, Mississippi State, MS 39762 USA.
[Baskes, M. I.] Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 92093 USA.
[Baskes, M. I.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Wilson, A. K.] Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA.
RP Gibson, JS (reprint author), Univ North Texas, Dept Chem, Denton, TX 76203 USA.; Gibson, JS (reprint author), Univ North Texas, Ctr Adv Sci Comp & Modeling, Denton, TX 76203 USA.; Gibson, JS (reprint author), Carleton Univ, Dept Mech & Aerosp Engn, Ottawa, ON K1S 5B6, Canada.; Srinivasan, SG (reprint author), Univ North Texas, Dept Mat Sci & Engn, Denton, TX 76203 USA.; Baskes, MI (reprint author), Mississippi State Univ, Bagley Coll Engn, Mississippi State, MS 39762 USA.; Baskes, MI (reprint author), Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 92093 USA.; Baskes, MI (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM Joshua.Gibson@engilitycorp.com; Srinivasan.Srivilliputhur@unt.edu;
baskes@bagley.msstate.edu
FU Air Force Research Laboratory [FA8650-08-C-5226]; National Science
Foundation [1435611]; NSERC
FX We acknowledge financial support from the Air Force Research Laboratory
(Contract No. FA8650-08-C-5226), National Science Foundation for support
(DMREF Grant #1435611), and NSERC's Discovery Grants and Discovery
Accelerator Programs. The calculations were done on the Stampede
supercomputer at Texas Advanced Computing Cluster at UT Austin and
Talon2 supercomputer at the UNT. Gibson thanks Dr Ryan S Elliot
(University of Minnesota) for help with KIM implementation and Dr Dickel
(Ted) Doyl (Mississippi State University) for assistance with LAMMPS.
Srinivasan thanks Dr Sebastien Groh for helping him understand pyramidal
slip systems in hcp metals.
NR 39
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U1 10
U2 10
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0965-0393
EI 1361-651X
J9 MODEL SIMUL MATER SC
JI Model. Simul. Mater. Sci. Eng.
PD JAN
PY 2017
VL 25
IS 1
AR 015010
DI 10.1088/1361-651X/25/1/015010
PG 33
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA EH1LP
UT WOS:000391528500002
ER
PT J
AU Stamenkovic, VR
Strmcnik, D
Lopes, PP
Markovic, NM
AF Stamenkovic, Vojislav R.
Strmcnik, Dusan
Lopes, Pietro P.
Markovic, Nenad M.
TI Energy and fuels from electrochemical interfaces
SO NATURE MATERIALS
LA English
DT Review
ID OXYGEN REDUCTION REACTION; HYDROGEN EVOLUTION REACTION; ANION-EXCHANGE
MEMBRANES; SINGLE-CRYSTAL SURFACES; TRANSITION-METAL OXIDES; ACTIVE EDGE
SITES; ELECTROCATALYTIC PROPERTIES; LITHIUM BATTERIES; ELECTROLYTIC
HYDROGEN; ACIDIC ENVIRONMENTS
AB Advances in electrocatalysis at solid-liquid interfaces are vital for driving the technological innovations that are needed to deliver reliable, affordable and environmentally friendly energy. Here, we highlight the key achievements in the development of new materials for efficient hydrogen and oxygen production in electrolysers and, in reverse, their use in fuel cells. A key issue addressed here is the degree to which the fundamental understanding of the synergy between covalent and non-covalent interactions can form the basis for any predictive ability in tailor-making real-world catalysts. Common descriptors such as the substrate-hydroxide binding energy and the interactions in the double layer between hydroxide-oxides and H---OH are found to control individual parts of the hydrogen and oxygen electrochemistry that govern the efficiency of water-based energy conversion and storage systems. Links between aqueous- and organic-based environments are also established, encouraging the 'fuel cell' and 'battery' communities to move forward together.
C1 [Stamenkovic, Vojislav R.; Strmcnik, Dusan; Lopes, Pietro P.; Markovic, Nenad M.] Argonne Natl Lab, Div Mat Sci, 9700 South Cass Ave, Lemont, IL 60439 USA.
RP Markovic, NM (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 South Cass Ave, Lemont, IL 60439 USA.
EM nmmarkovic@anl.gov
RI Lopes, Pietro/E-2724-2013
OI Lopes, Pietro/0000-0003-3211-470X
FU US Department of Energy Office of Science laboratory
[DE-AC02-06CH11357]; Joint Center of Energy Storage Research (JCESR), an
Energy Innovation Hub - US Department of Energy; Office of Science,
Office of Basic Energy Sciences, Materials Sciences and Engineering
Division, the Office of Energy Efficiency and Renewable Energy, Fuel
Cell Technologies Program
FX The research was conducted at Argonne National Laboratory, a US
Department of Energy Office of Science laboratory, operated by UChicago
Argonne, LLC, under contract no. DE-AC02-06CH11357. We acknowledge
support from the Office of Science, Office of Basic Energy Sciences,
Materials Sciences and Engineering Division, the Office of Energy
Efficiency and Renewable Energy, Fuel Cell Technologies Program and from
the Joint Center of Energy Storage Research (JCESR), an Energy
Innovation Hub funded by the US Department of Energy.
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U2 144
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1476-1122
EI 1476-4660
J9 NAT MATER
JI Nat. Mater.
PD JAN
PY 2017
VL 16
IS 1
BP 57
EP 69
DI 10.1038/NMAT4738
PG 13
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Applied; Physics, Condensed Matter
SC Chemistry; Materials Science; Physics
GA EG8YL
UT WOS:000391343300014
PM 27994237
ER
PT J
AU Montoya, JH
Seitz, LC
Chakthranont, P
Vojvodic, A
Jaramillo, TF
Norskov, JK
AF Montoya, Joseph H.
Seitz, Linsey C.
Chakthranont, Pongkarn
Vojvodic, Aleksandra
Jaramillo, Thomas F.
Norskov, Jens K.
TI Materials for solar fuels and chemicals
SO NATURE MATERIALS
LA English
DT Review
ID HYDROGEN EVOLUTION REACTION; ELECTROCHEMICAL CO2 REDUCTION;
TRANSITION-METAL SURFACES; DENSITY-FUNCTIONAL THEORY; WATER-SPLITTING
SYSTEMS; ACTIVE EDGE SITES; OXYGEN-EVOLUTION; CARBON-DIOXIDE;
SEMICONDUCTING PHOTOELECTRODES; ELECTROCATALYTIC MATERIALS
AB The conversion of sunlight into fuels and chemicals is an attractive prospect for the storage of renewable energy, and photoelectrocatalytic technologies represent a pathway by which solar fuels might be realized. However, there are numerous scientific challenges in developing these technologies. These include finding suitable materials for the absorption of incident photons, developing more efficient catalysts for both water splitting and the production of fuels, and understanding how interfaces between catalysts, photoabsorbers and electrolytes can be designed to minimize losses and resist degradation. In this Review, we highlight recent milestones in these areas and some key scientific challenges remaining between the current state of the art and a technology that can effectively convert sunlight into fuels and chemicals.
C1 [Montoya, Joseph H.; Seitz, Linsey C.; Chakthranont, Pongkarn; Vojvodic, Aleksandra; Jaramillo, Thomas F.; Norskov, Jens K.] Stanford Univ, Dept Chem Engn, SUNCAT Ctr Interface Sci & Catalysis, Shriram Ctr, 443 Via Ortega, Stanford, CA 94305 USA.
[Montoya, Joseph H.; Seitz, Linsey C.; Chakthranont, Pongkarn; Vojvodic, Aleksandra; Jaramillo, Thomas F.; Norskov, Jens K.] SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA.
[Montoya, Joseph H.] Lawrence Berkeley Natl Lab, Energy Technol Area, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Seitz, Linsey C.] Karlsruhe Inst Technol, Inst Photon Sci & Synchrotron Radiat, Hermann von Helmholtz Pl 1, D-76344 Eggenstein Leopoldshafen, Germany.
RP Norskov, JK (reprint author), Stanford Univ, Dept Chem Engn, SUNCAT Ctr Interface Sci & Catalysis, Shriram Ctr, 443 Via Ortega, Stanford, CA 94305 USA.; Norskov, JK (reprint author), SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA.
EM norskov@stanford.edu
FU US DOE, Office of Science, Basic Energy Sciences, Chemical Sciences,
Geosciences and Bio Sciences Division through the SUNCAT Center for
Interface Science; Joint Center for Artificial Photosynthesis, a DOE
Energy Innovation Hub through the Office of Science of the US DOE
[DE-SC0004993]
FX The OER, ORR and HER work was supported by the US DOE, Office of
Science, Basic Energy Sciences, Chemical Sciences, Geosciences and Bio
Sciences Division through the SUNCAT Center for Interface Science. The
work on CO, reduction was supported by the Joint Center for Artificial
Photosynthesis, a DOE Energy Innovation Hub, supported through the
Office of Science of the US DOE under Award Number DE-SC0004993. Helpful
discussions and insights from Jakob Kibsgaard and Thomas Hellstern are
also gratefully acknowledged.
NR 152
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PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1476-1122
EI 1476-4660
J9 NAT MATER
JI Nat. Mater.
PD JAN
PY 2017
VL 16
IS 1
BP 70
EP 81
DI 10.1038/NMAT4778
PG 12
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Applied; Physics, Condensed Matter
SC Chemistry; Materials Science; Physics
GA EG8YL
UT WOS:000391343300015
ER
PT J
AU Wang, ZR
Joshi, S
Savel'ev, SE
Jiang, H
Midya, R
Lin, P
Hu, M
Ge, N
Strachan, JP
Li, ZY
Wu, Q
Barne, M
Li, GL
Xin, HL
Williams, RS
Xia, QF
Yang, JJ
AF Wang, Zhongrui
Joshi, Saumil
Savel'ev, Sergey E.
Jiang, Hao
Midya, Rivu
Lin, Peng
Hu, Miao
Ge, Ning
Strachan, John Paul
Li, Zhiyong
Wu, Qing
Barne, Mark
Li, Geng-Lin
Xin, Huolin L.
Williams, R. Stanley
Xia, Qiangfei
Yang, J. Joshua
TI Memristors with diffusive dynamics as synaptic emulators for
neuromorphic computing
SO NATURE MATERIALS
LA English
DT Article
ID TIMING-DEPENDENT PLASTICITY; RESISTIVE SWITCHING MEMORY; OXIDE
MEMRISTORS; ATOMIC SWITCH; SYNAPSES; DEVICE; CIRCUITS; NEURONS; SYSTEMS;
ARRAY
AB The accumulation and extrusion of Ca2+ in the pre- and postsynaptic compartments play a critical role in initiating plastic changes in biological synapses. To emulate this fundamental process in electronic devices, we developed diffusive Ag-in-oxide memristors with a temporal response during and after stimulation similar to that of the synaptic Ca2+ dynamics. In situ high-resolution transmission electron microscopy and nanoparticle dynamics simulations both demonstrate that Ag atoms disperse under electrical bias and regroup spontaneously under zero bias because of interfacial energy minimization, closely resembling synaptic influx and extrusion of Ca2+, respectively. The diffusive memristor and its dynamics enable a direct emulation of both short- and long-term plasticity of biological synapses, representing an advance in hardware implementation of neuromorphic functionalities.
C1 [Wang, Zhongrui; Joshi, Saumil; Jiang, Hao; Midya, Rivu; Lin, Peng; Xia, Qiangfei; Yang, J. Joshua] Univ Massachusetts, Dept Elect & Comp Engn, Amherst, MA 01003 USA.
[Savel'ev, Sergey E.] Univ Loughborough, Dept Phys, Loughborough LE11 3TU, Leics, England.
[Hu, Miao; Ge, Ning; Strachan, John Paul; Li, Zhiyong; Williams, R. Stanley] Hewlett Packard Corp, 3500 Deer Creek Rd, Palo Alto, CA 94304 USA.
[Wu, Qing; Barne, Mark] Air Force Res Lab, Informat Directorate, New York, NY 13441 USA.
[Li, Geng-Lin] Univ Massachusetts, Dept Biol, Amherst, MA 01003 USA.
[Xin, Huolin L.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
RP Yang, JJ (reprint author), Univ Massachusetts, Dept Elect & Comp Engn, Amherst, MA 01003 USA.
EM jjyang@umass.edu
RI Savel'ev, Sergey/A-5876-2011;
OI Savel'ev, Sergey/0000-0003-2771-230X; Li, Geng-Lin/0000-0001-7053-4284
FU US Air Force Research Laboratory (AFRL) [FA8750-15-2-0044]; Intelligence
Advanced Research Projects Activity (IARPA) [2014-14080800008]; US Air
Force Office for Scientific Research (AFOSR) [FA9550-12-1-0038];
National Science Foundation (NSF) [ECCS-1253073]; US DOE Office of
Science Facility, at Brookhaven National Laboratory [DE-SC0012704]
FX This work was supported in part by the US Air Force Research Laboratory
(AFRL) (Grant No. FA8750-15-2-0044), the Intelligence Advanced Research
Projects Activity (IARPA) (contract 2014-14080800008), US Air Force
Office for Scientific Research (AFOSR) (Grant No. FA9550-12-1-0038), and
the National Science Foundation (NSF) (ECCS-1253073). Any opinions,
findings and conclusions or recommendations expressed in this material
are those of the authors and do not necessarily reflect the views of
AFRL. Part of the device fabrication was conducted in the clean room of
the Center for Hierarchical Manufacturing (CHM), an NSF Nanoscale
Science and Engineering Center (NSEC) located at the University of
Massachusetts Amherst. The TEM work used resources of the Center for
Functional Nanomaterials, which is a US DOE Office of Science Facility,
at Brookhaven National Laboratory under Contract No. DE-SC0012704. The
authors thank M. McLean for useful discussions on computing.
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PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1476-1122
EI 1476-4660
J9 NAT MATER
JI Nat. Mater.
PD JAN
PY 2017
VL 16
IS 1
BP 101
EP 108
DI 10.1038/NMAT4756
PG 8
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Applied; Physics, Condensed Matter
SC Chemistry; Materials Science; Physics
GA EG8YL
UT WOS:000391343300019
PM 27669052
ER
PT J
AU Han, BH
Stoerzinger, KA
Tileli, V
Gamalski, AD
Stach, EA
Shao-Horn, Y
AF Han, Binghong
Stoerzinger, Kelsey A.
Tileli, Vasiliki
Gamalski, Andrew D.
Stach, Eric A.
Shao-Horn, Yang
TI Nanoscale structural oscillations in perovskite oxides induced by oxygen
evolution
SO NATURE MATERIALS
LA English
DT Article
ID RAY PHOTOELECTRON-SPECTROSCOPY; IN-SITU; ELECTRON-MICROSCOPY; WATER;
SURFACE; ELECTROCATALYSIS; REDUCTION; CATALYSTS; PRINCIPLES; REACTIVITY
AB Understanding the interaction between water and oxides is critical for many technological applications, including energy storage, surface wetting/self-cleaning, photocatalysis and sensors. Here, we report observations of strong structural oscillations of Ba0.5Sr0.5Co0.8Fe0.2O3-delta (BSCF) in the presence of both H2O vapour and electron irradiation using environmental transmission electron microscopy. These oscillations are related to the formation and collapse of gaseous bubbles. Electron energy-loss spectroscopy provides direct evidence of O-2 formation in these bubbles due to the incorporation of H2O into BSCF. SrCoO3-delta was found to exhibit small oscillations, while none were observed for La0.5Sr0.5CoO3-delta and LaCoO3. The structural oscillations of BSCF can be attributed to the fact that its oxygen 2p-band centre is close to the Fermi level, which leads to a low energy penalty for oxygen vacancy formation, high ion mobility, and high water uptake. This work provides surprising insights into the interaction between water and oxides under electron-beam irradiation.
C1 [Han, Binghong; Stoerzinger, Kelsey A.; Shao-Horn, Yang] Dept Mat Sci & Engn, Cambridge, MA 02139 USA.
[Tileli, Vasiliki] Ecole Polytech Fed Lausanne, Inst Mat, Stn 12, CH-1015 Lausanne, Switzerland.
[Gamalski, Andrew D.; Stach, Eric A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Shao-Horn, Yang] MIT, Dept Mech Engn, Cambridge, MA 02139 USA.
RP Shao-Horn, Y (reprint author), Dept Mat Sci & Engn, Cambridge, MA 02139 USA.; Stach, EA (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.; Shao-Horn, Y (reprint author), MIT, Dept Mech Engn, Cambridge, MA 02139 USA.
EM estach@bnl.gov; shaohorn@mit.edu
RI Stach, Eric/D-8545-2011;
OI Stach, Eric/0000-0002-3366-2153; Han, Binghong/0000-0002-2919-3235;
Stoerzinger, Kelsey/0000-0002-3431-8290
FU MRSEC Program of the National Science Foundation [DMR-0819762];
Skoltech-MIT Center for Electrochemical Energy Storage; US Department of
Energy, Office of Basic Energy Sciences [DE-SC0012704]
FX This work was supported in part by the MRSEC Program of the National
Science Foundation under award number DMR-0819762 and the Skoltech-MIT
Center for Electrochemical Energy Storage. The ETEM/EELS experiments
were carried out at the Center for Functional Nanomaterials, Brookhaven
National Laboratory, which is supported by the US Department of Energy,
Office of Basic Energy Sciences, under Contract No. DE-SC0012704, which
also supported A.D.G. and E.A.S.
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PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1476-1122
EI 1476-4660
J9 NAT MATER
JI Nat. Mater.
PD JAN
PY 2017
VL 16
IS 1
BP 121
EP 126
DI 10.1038/NMAT4764
PG 6
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Applied; Physics, Condensed Matter
SC Chemistry; Materials Science; Physics
GA EG8YL
UT WOS:000391343300022
PM 27698352
ER
PT J
AU Lobanov, AV
Heaphy, SM
Turanov, AA
Gerashchenko, MV
Pucciarelli, S
Devaraj, RR
Xie, F
Petyuk, VA
Smith, RD
Klobutcher, LA
Atkins, JF
Miceli, C
Hatfield, DL
Baranov, PV
Gladyshev, VN
AF Lobanov, Alexei V.
Heaphy, Stephen M.
Turanov, Anton A.
Gerashchenko, Maxim V.
Pucciarelli, Sandra
Devaraj, Raghul R.
Xie, Fang
Petyuk, Vladislav A.
Smith, Richard D.
Klobutcher, Lawrence A.
Atkins, John F.
Miceli, Cristina
Hatfield, Dolph L.
Baranov, Pavel V.
Gladyshev, Vadim N.
TI Position-dependent termination and widespread obligatory frameshifting
in Euplotes translation
SO NATURE STRUCTURAL & MOLECULAR BIOLOGY
LA English
DT Article
ID CILIATE; DNA; SLIPPAGE; SCALE; YEAST; GENE; RNAS
AB The ribosome can change its reading frame during translation in a process known as programmed ribosomal frameshifting. These rare events are supported by complex mRNA signals. However, we found that the ciliates Euplotes crassus and Euplotes focardii exhibit widespread frameshifting at stop codons. 47 different codons preceding stop signals resulted in either +1 or +2 frameshifts, and +1 frameshifting at AAA was the most frequent. The frameshifts showed unusual plasticity and rapid evolution, and had little influence on translation rates. The proximity of a stop codon to the 3' mRNA end, rather than its occurrence or sequence context, appeared to designate termination. Thus, a 'stop codon' is not a sufficient signal for translation termination, and the default function of stop codons in Euplotes is frameshifting, whereas termination is specific to certain mRNA positions and probably requires additional factors.
C1 [Lobanov, Alexei V.; Turanov, Anton A.; Gerashchenko, Maxim V.; Gladyshev, Vadim N.] Brigham & Womens Hosp, Dept Med, Div Genet, 75 Francis St, Boston, MA 02115 USA.
[Lobanov, Alexei V.; Turanov, Anton A.; Gerashchenko, Maxim V.; Gladyshev, Vadim N.] Harvard Med Sch, Boston, MA 02115 USA.
[Heaphy, Stephen M.; Atkins, John F.; Baranov, Pavel V.] Univ Coll Cork, Sch Biochem & Cell Biol, Cork, Ireland.
[Pucciarelli, Sandra; Devaraj, Raghul R.; Miceli, Cristina] Univ Camerino, Sch Biosci & Vet Med, Camerino, Italy.
[Xie, Fang; Petyuk, Vladislav A.; Smith, Richard D.] Pacific Northwest Natl Lab, Biol Sci Div, Richland, WA USA.
[Klobutcher, Lawrence A.] Univ Connecticut, Ctr Hlth, Dept Mol Biol & Biophys, Farmington, CT USA.
[Hatfield, Dolph L.] NIH, Mol Biol Selenium Sect, Mouse Canc Genet Program, Ctr Canc Res, Bldg 10, Bethesda, MD 20892 USA.
RP Gladyshev, VN (reprint author), Brigham & Womens Hosp, Dept Med, Div Genet, 75 Francis St, Boston, MA 02115 USA.; Gladyshev, VN (reprint author), Harvard Med Sch, Boston, MA 02115 USA.; Baranov, PV (reprint author), Univ Coll Cork, Sch Biochem & Cell Biol, Cork, Ireland.
EM p.baranov@ucc.ie; vgladyshev@rics.bwh.harvard.edu
RI Smith, Richard/J-3664-2012;
OI Smith, Richard/0000-0002-2381-2349; Devaraj, Raghul
Rajan/0000-0001-8319-0513; Atkins, John/0000-0001-7933-0165
FU NIH [GM061603, GM065402, GM103493]; Wellcome Trust [094423]; Science
Foundation Ireland [12/IA/1335]; W.R. Wiley Environmental Molecular
Science Laboratory - DOE at Pacific Northwest National Laboratory; DOE
[DE-AC05-76RLO-1830]; Italian PNRA; COST action [BM1102]
FX Supported by NIH GM061603 and GM065402 to V.N.G. S.M.H. and P.V.B. are
supported by the grants from Wellcome Trust (094423) and Science
Foundation Ireland (12/IA/1335). Portions of this research were also
supported by NIH GM103493 and the W.R. Wiley Environmental Molecular
Science Laboratory (sponsored by DOE and located at Pacific Northwest
National Laboratory). Pacific Northwest National Laboratory is operated
by the Battelle Memorial Institute under the DOE contract
DE-AC05-76RLO-1830. C.M. acknowledges the Italian PNRA and the COST
action BM1102 for supporting a part of this work.
NR 24
TC 2
Z9 2
U1 3
U2 3
PU NATURE PUBLISHING GROUP
PI NEW YORK
PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA
SN 1545-9993
EI 1545-9985
J9 NAT STRUCT MOL BIOL
JI Nat. Struct. Mol. Biol.
PD JAN
PY 2017
VL 24
IS 1
BP 61
EP 68
DI 10.1038/nsmb.3330
PG 8
WC Biochemistry & Molecular Biology; Biophysics; Cell Biology
SC Biochemistry & Molecular Biology; Biophysics; Cell Biology
GA EG9AN
UT WOS:000391349500013
PM 27870834
ER
PT J
AU Grossiord, C
Sevanto, S
Dawson, TE
Adams, HD
Collins, AD
Dickman, LT
Newman, BD
Stockton, EA
McDowell, NG
AF Grossiord, Charlotte
Sevanto, Sanna
Dawson, Todd E.
Adams, Henry D.
Collins, Adam D.
Dickman, Lee T.
Newman, Brent D.
Stockton, Elizabeth A.
McDowell, Nate G.
TI Warming combined with more extreme precipitation regimes modifies the
water sources used by trees
SO NEW PHYTOLOGIST
LA English
DT Article
DE delta H-2; delta O-18; climate change; gas exchange; Juniperus
monosperma; Pinus edulis; water extraction depth
ID PINYON-JUNIPER WOODLAND; NORTHERN NEW-MEXICO; EXPERIMENTAL DROUGHT;
SUMMER PRECIPITATION; SEMIARID WOODLAND; STABLE-ISOTOPES; PINUS-EDULIS;
MORTALITY; FOREST; PLANTS
AB The persistence of vegetation under climate change will depend on a plant's capacity to exploit water resources. We analyzed water source dynamics in pinon pine and juniper trees subjected to precipitation reduction, atmospheric warming, and to both simultaneously.
Pinon and juniper exhibited different and opposite shifts in water uptake depth in response to experimental stress and background climate over 3 yr. During a dry summer, juniper responded to warming with a shift to shallow water sources, whereas pinon pine responded to precipitation reduction with a shift to deeper sources in autumn. In normal and wet summers, both species responded to precipitation reduction, but juniper increased deep water uptake and pinon increased shallow water uptake.
Shifts in the utilization of water sources were associated with reduced stomatal conductance and photosynthesis, suggesting that belowground compensation in response to warming and water reduction did not alleviate stress impacts for gas exchange.
We have demonstrated that predicted climate change could modify water sources of trees. Warming impairs juniper uptake of deep sources during extended dry periods. Precipitation reduction alters the uptake of shallow sources following extended droughts for pinon. Shifts in water sources may not compensate for climate change impacts on tree physiology.
C1 [Grossiord, Charlotte; Sevanto, Sanna; Collins, Adam D.; Dickman, Lee T.; Newman, Brent D.; Stockton, Elizabeth A.; McDowell, Nate G.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA.
[Dawson, Todd E.] Univ Calif Berkeley, Ctr Stable Isotope Biogeochem, Berkeley, CA 94720 USA.
[Dawson, Todd E.] Univ Calif Berkeley, Dept Integrat Biol, Berkeley, CA 94720 USA.
[Adams, Henry D.] Oklahoma State Univ, Dept Plant Biol Ecol & Evolut, Stillwater, OK 74078 USA.
RP Grossiord, C (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA.
EM cgrossiord@lanl.gov
FU US Department of Energy, Office of Science, Biological and Environmental
Research
FX The Los Alamos Survival-Mortality Experiment (SUMO) is funded by the US
Department of Energy, Office of Science, Biological and Environmental
Research. We thank Heath Powers for technical help during the building
of the site. We would like to thank the three anonymous reviewers for
their pertinent comments.
NR 66
TC 0
Z9 0
U1 24
U2 24
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0028-646X
EI 1469-8137
J9 NEW PHYTOL
JI New Phytol.
PD JAN
PY 2017
VL 213
IS 2
BP 584
EP 596
DI 10.1111/nph.14192
PG 13
WC Plant Sciences
SC Plant Sciences
GA EH0KH
UT WOS:000391452300013
PM 27612306
ER
PT J
AU Fahrenkrog, AM
Neves, LG
Resende, MFR
Vazquez, AI
de los Campos, G
Dervinis, C
Sykes, R
Davis, M
Davenport, R
Barbazuk, WB
Kirst, M
AF Fahrenkrog, Annette M.
Neves, Leandro G.
Resende, Marcio F. R., Jr.
Vazquez, Ana I.
de los Campos, Gustavo
Dervinis, Christopher
Sykes, Robert
Davis, Mark
Davenport, Ruth
Barbazuk, William B.
Kirst, Matias
TI Genome-wide association study reveals putative regulators of bioenergy
traits in Populus deltoides
SO NEW PHYTOLOGIST
LA English
DT Article
DE eastern cottonwood; exome resequencing; genome-wide association studies
(GWAS); low-frequency single-nucleotide polymorphisms (SNPs); poplar;
Populus deltoides
ID SINGLE NUCLEOTIDE POLYMORPHISMS; DNA-SEQUENCING DATA; GENE-EXPRESSION;
MISSING HERITABILITY; POPULATION-STRUCTURE; COMMON VARIANTS; WOOD
PROPERTIES; COMPLEX TRAITS; DAIRY-CATTLE; TRICHOCARPA
AB Genome-wide association studies (GWAS) have been used extensively to dissect the genetic regulation of complex traits in plants. These studies have focused largely on the analysis of common genetic variants despite the abundance of rare polymorphisms in several species, and their potential role in trait variation. Here, we conducted the first GWAS in Populus deltoides, a genetically diverse keystone forest species in North America and an important short rotation woody crop for the bioenergy industry.
We searched for associations between eight growth and wood composition traits, and common and low-frequency single-nucleotide polymorphisms detected by targeted resequencing of 18 153 genes in a population of 391 unrelated individuals. To increase power to detect associations with low-frequency variants, multiple-marker association tests were used in combination with single-marker association tests.
Significant associations were discovered for all phenotypes and are indicative that low-frequency polymorphisms contribute to phenotypic variance of several bioenergy traits.
Our results suggest that both common and low-frequency variants need to be considered for a comprehensive understanding of the genetic regulation of complex traits, particularly in species that carry large numbers of rare polymorphisms. These polymorphisms may be critical for the development of specialized plant feedstocks for bioenergy.
C1 [Fahrenkrog, Annette M.; Neves, Leandro G.; Resende, Marcio F. R., Jr.; Dervinis, Christopher; Kirst, Matias] Univ Florida, Sch Forest Resources & Conservat, POB 110410, Gainesville, FL 32611 USA.
[Fahrenkrog, Annette M.; Neves, Leandro G.; Barbazuk, William B.; Kirst, Matias] Univ Florida, Plant Mol & Cellular Biol Grad Program, POB 110690, Gainesville, FL 32610 USA.
[Resende, Marcio F. R., Jr.] Univ Florida, Genet & Genom Grad Program, POB 103610, Gainesville, FL 32610 USA.
[Vazquez, Ana I.; de los Campos, Gustavo] Michigan State Univ, Dept Epidemiol & Biostat, 909 Fee Rd, E Lansing, MI 48824 USA.
[de los Campos, Gustavo] Michigan State Univ, Dept Stat, 619 Red Cedar Rd, E Lansing, MI 48824 USA.
[Sykes, Robert; Davis, Mark] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
[Davenport, Ruth; Barbazuk, William B.] Univ Florida, Dept Biol, POB 118525, Gainesville, FL 32611 USA.
[Barbazuk, William B.; Kirst, Matias] Univ Florida, Genet Inst, POB 103610, Gainesville, FL 32611 USA.
RP Kirst, M (reprint author), Univ Florida, Sch Forest Resources & Conservat, POB 110410, Gainesville, FL 32611 USA.; Kirst, M (reprint author), Univ Florida, Plant Mol & Cellular Biol Grad Program, POB 110690, Gainesville, FL 32610 USA.; Kirst, M (reprint author), Univ Florida, Genet Inst, POB 103610, Gainesville, FL 32611 USA.
EM mkirst@ufl.edu
OI davis, mark/0000-0003-4541-9852
FU US Department of Energy, Office of Science, Office of Biological and
Environmental Research [DE-FG02-05ER64114, DE-SC0003893]; US National
Science Foundation Plant Genome Research Program [IOS-1444543]; NIH
[R01GM09992]
FX We acknowledge financial support from the US Department of Energy,
Office of Science, Office of Biological and Environmental Research
(grant awards nos DE-FG02-05ER64114 and DE-SC0003893) and the US
National Science Foundation Plant Genome Research Program (grant
IOS-1444543). G.d.l.C and A.I.V. acknowledge support from NIH grant
R01GM09992. We acknowledge three anonymous reviewers for their helpful
suggestions, all the staff and students from the Forest Genomics
Laboratory at the University of Florida for the help with the data
collection, and S. DiFazio and G. Tuskan for contributing sequences used
in the construction of the hybrid P. trichocarpa/P. deltoides reference
sequence.
NR 67
TC 0
Z9 0
U1 11
U2 11
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0028-646X
EI 1469-8137
J9 NEW PHYTOL
JI New Phytol.
PD JAN
PY 2017
VL 213
IS 2
BP 799
EP 811
DI 10.1111/nph.14154
PG 13
WC Plant Sciences
SC Plant Sciences
GA EH0KH
UT WOS:000391452300030
PM 27596807
ER
PT J
AU Goldston, RJ
AF Goldston, R. J.
TI 2015 Nuclear Fusion Prize acceptance speech
SO NUCLEAR FUSION
LA English
DT Editorial Material
C1 [Goldston, R. J.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08540 USA.
RP Goldston, RJ (reprint author), Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08540 USA.
EM goldston@pppl.gov
FU DOE [DE-AC02-09CH11466]
FX This work was supported by DOE Contract No. DE-AC02-09CH11466.
NR 0
TC 0
Z9 0
U1 1
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0029-5515
EI 1741-4326
J9 NUCL FUSION
JI Nucl. Fusion
PD JAN
PY 2017
VL 57
IS 1
AR 010203
DI 10.1088/1741-4326/aa509c
PG 2
WC Physics, Fluids & Plasmas
SC Physics
GA EH2XJ
UT WOS:000391631700001
ER
PT J
AU Ma, JY
Sun, W
Koteyeva, NK
Voznesenskaya, E
Stutz, SS
Gandin, A
Smith-Moritz, AM
Heazlewood, JL
Cousins, AB
AF Ma, Jian-Ying
Sun, Wei
Koteyeva, Nuria K.
Voznesenskaya, Elena
Stutz, Samantha S.
Gandin, Anthony
Smith-Moritz, Andreia M.
Heazlewood, Joshua L.
Cousins, Asaph B.
TI Influence of light and nitrogen on the photosynthetic efficiency in the
C-4 plant Miscanthus x giganteus
SO PHOTOSYNTHESIS RESEARCH
LA English
DT Article
DE Carbon isotope discrimination; C-4 photosynthesis; Miscanthus; Nitrogen;
Light
ID CARBON-ISOTOPE DISCRIMINATION; BUNDLE-SHEATH LEAKINESS;
FLAVERIA-BIDENTIS; ABSORPTION-SPECTROSCOPY; AMARANTHUS-CRUENTUS; CO2
ASSIMILATION; QUANTUM YIELD; LEAF ANATOMY; ZEA-MAYS; GROWTH
AB There are numerous studies describing how growth conditions influence the efficiency of C-4 photosynthesis. However, it remains unclear how changes in the biochemical capacity versus leaf anatomy drives this acclimation. Therefore, the aim of this study was to determine how growth light and nitrogen availability influence leaf anatomy, biochemistry and the efficiency of the CO2 concentrating mechanism in Miscanthus x giganteus. There was an increase in the mesophyll cell wall surface area but not cell well thickness in the high-light (HL) compared to the low-light (LL) grown plants suggesting a higher mesophyll conductance in the HL plants, which also had greater photosynthetic capacity. Additionally, the HL plants had greater surface area and thickness of bundle-sheath cell walls compared to LL plants, suggesting limited differences in bundle-sheath CO2 conductance because the increased area was offset by thicker cell walls. The gas exchange estimates of phosphoenolpyruvate carboxylase (PEPc) activity were significantly less than the in vitro PEPc activity, suggesting limited substrate availability in the leaf due to low mesophyll CO2 conductance. Finally, leakiness was similar across all growth conditions and generally did not change under the different measurement light conditions. However, differences in the stable isotope composition of leaf material did not correlate with leakiness indicating that dry matter isotope measurements are not a good proxy for leakiness. Taken together, these data suggest that the CO2 concentrating mechanism in Miscanthus is robust under low-light and limited nitrogen growth conditions, and that the observed changes in leaf anatomy and biochemistry likely help to maintain this efficiency.
C1 [Ma, Jian-Ying] Chinese Acad Sci, Xinjiang Inst Ecol & Geog, Key Lab Biogeog & Bioresource Arid Land, Urumqi 830011, Peoples R China.
[Ma, Jian-Ying; Sun, Wei; Stutz, Samantha S.; Gandin, Anthony; Cousins, Asaph B.] Washington State Univ, Sch Biol Sci, Pullman, WA 99163 USA.
[Sun, Wei] Northeast Normal Univ, Inst Grassland Sci, Key Lab Vegetat Ecol, Minist Educ, Changchun 130024, Peoples R China.
[Koteyeva, Nuria K.; Voznesenskaya, Elena] Russian Acad Sci, VL Komarov Bot Inst, Lab Anat & Morphol, St Petersburg, Russia.
[Smith-Moritz, Andreia M.; Heazlewood, Joshua L.] Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94720 USA.
[Smith-Moritz, Andreia M.; Heazlewood, Joshua L.] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Heazlewood, Joshua L.] Univ Melbourne, Sch Biosci, ARC Ctr Excellence Plant Cell Walls, Melbourne, Vic 3010, Australia.
RP Cousins, AB (reprint author), Washington State Univ, Sch Biol Sci, Pullman, WA 99163 USA.
EM acousin@wsu.edu
RI Heazlewood, Joshua/A-2554-2008
OI Heazlewood, Joshua/0000-0002-2080-3826
FU National Natural Science Foundation of China [41071032, 31270445]; 9th
Thousand Talents Program of China; US Department of Energy, Office of
Basic Energy Science [DE-FG02_09ER16062]; Office of Science, Office of
Biological and Environmental Research [DE-AC02-05CH11231]; NSF
[0923562]; Australian Research Council [FT130101165]
FX This research was supported by the National Natural Science Foundation
of China [Grant Nos. 41071032, 31270445], the 9th Thousand Talents
Program of China, the US Department of Energy, Office of Basic Energy
Science [DE-FG02_09ER16062] and Office of Science, Office of Biological
and Environmental Research [DE-AC02-05CH11231]. Instrumentation was
obtained through an NSF Major Research Instrumentation Grant [#0923562].
JLH was supported by an Australian Research Council Future Fellowship
[FT130101165]. We thank C. Cody for plants growth management, Dr. Steve
Long for Miscanthus plant material and the Franceschi Microscopy and
Imaging Center of Washington State University for use of its facilities.
NR 48
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U1 14
U2 14
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0166-8595
EI 1573-5079
J9 PHOTOSYNTH RES
JI Photosynth. Res.
PD JAN
PY 2017
VL 131
IS 1
BP 1
EP 13
DI 10.1007/s11120-016-0281-7
PG 13
WC Plant Sciences
SC Plant Sciences
GA EH0AE
UT WOS:000391423700001
PM 27531584
ER
PT J
AU Kwon, JH
Lu, P
Hoffman, J
Yuan, RL
Yoon, A
Bhattacharya, A
Zuo, JM
AF Kwon, Ji-Hwan
Lu, Ping
Hoffman, Jason
Yuan, Renliang
Yoon, Aram
Bhattacharya, Anand
Zuo, Jian-Min
TI Elemental and lattice-parameter mapping of binary oxide superlattices of
(LaNiO3)(4)/(LaMnO3)(2) at atomic resolution
SO SEMICONDUCTOR SCIENCE AND TECHNOLOGY
LA English
DT Article
DE EDS; electron microscopy; composition; strain; superlattice; Vegard's
law
ID NEUTRON-DIFFRACTION; VEGARD LAW; TRANSITION; STRAIN; QUANTIFICATION;
SPECTROSCOPY; STEM
AB We construct the elemental distribution and lattice strain maps from the measured atomic column positions in a (LaNiO3)(4)/(LaMnO3)(2) superlattice over a large field of view. The correlation between the distribution of B-cations and the lattice parameter in the form of Vegard's law is validated using atomic resolution energy dispersive x-ray spectroscopy (EDS). The maps show negligible Mn intermixing in the LaNiO3 layer, while Ni intermixing in the LaMnO3 layer improves away from the substrate interface to 9.5 atomic% from the 8th period onwards, indicating that the superlattice interfacial sharpness is established as the distance from the substrate increases. The maps allow an observation of the compositional defects of the B-sites, which is not possible by Z-contrast alone. Thus, this study demonstrates a promising approach for atomic scale correlative study of lattice strain and composition, and a method for the calibration of atomic resolution EDS maps.
C1 [Kwon, Ji-Hwan; Yuan, Renliang; Yoon, Aram; Zuo, Jian-Min] Univ Illinois, Dept Mat Sci, Urbana, IL 61801 USA.
[Kwon, Ji-Hwan; Yuan, Renliang; Yoon, Aram; Zuo, Jian-Min] Univ Illinois, Frederick Seitz Mat Res Lab, Urbana, IL 61801 USA.
[Lu, Ping] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Hoffman, Jason; Bhattacharya, Anand] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Bhattacharya, Anand] Argonne Natl Lab, Nanosci & Technol Div, Argonne, IL 60439 USA.
RP Zuo, JM (reprint author), Univ Illinois, Dept Mat Sci, Urbana, IL 61801 USA.; Zuo, JM (reprint author), Univ Illinois, Frederick Seitz Mat Res Lab, Urbana, IL 61801 USA.
EM jianzuo@illinois.edu
FU US Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC0298CH10886]; US Department of Energy, Office of Basic
Energy Sciences [DE-AC02-06CH11357]; Department of Energy, Office of
Basic Energy Science, Materials Science and Engineering Division; US
Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX This material is based upon work supported as part of the Center for
Emergent Superconductivity, an Energy Frontier Research Center funded by
the US Department of Energy, Office of Science, Office of Basic Energy
Sciences, under award number DE-AC0298CH10886. Work at Argonne National
Laboratory, including the use of the Center for Nanoscale Materials, was
supported by the US Department of Energy, Office of Basic Energy
Sciences under contract number DE-AC02-06CH11357. JDH, and AB
acknowledge support from Department of Energy, Office of Basic Energy
Science, Materials Science and Engineering Division. Sandia National
Laboratories is a multi-program laboratory managed and operated by
Sandia Corporation, a wholly owned subsidiary of Lockheed Martin
Corporation, for the US Department of Energy's National Nuclear Security
Administration under contract DE-AC04-94AL85000.
NR 34
TC 0
Z9 0
U1 10
U2 10
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0268-1242
EI 1361-6641
J9 SEMICOND SCI TECH
JI Semicond. Sci. Technol.
PD JAN
PY 2017
VL 32
IS 1
AR 014002
DI 10.1088/1361-6641/32/1/014002
PG 8
WC Engineering, Electrical & Electronic; Materials Science,
Multidisciplinary; Physics, Condensed Matter
SC Engineering; Materials Science; Physics
GA EH0WZ
UT WOS:000391486200002
ER
PT J
AU Welna, M
Baranowski, M
Kudrawiec, R
Nabetani, Y
Walukiewicz, W
AF Welna, M.
Baranowski, M.
Kudrawiec, R.
Nabetani, Y.
Walukiewicz, W.
TI Effects of band anticrossing on the temperature dependence of the band
gap of ZnSe1-xOx alloys
SO SEMICONDUCTOR SCIENCE AND TECHNOLOGY
LA English
DT Article
DE band anticrossing; highly mismatched alloys; ZnSeO; band gap temperature
dependence
ID ZNOXSE1-X ALLOYS; QUANTUM-WELLS; GAASN ALLOYS; ENERGY; SEMICONDUCTORS;
NITROGEN; OXYGEN
AB Interband optical transitions in highly mismatched ZnSe1-xOx alloys with up to 1.35% O content have been studied with photoreflectance. Incorporation of oxygen results in a pronounced reduction of the temperature dependence of the energy gap of the alloy. A detailed analysis of the experimental data shows that the reduction in the temperature dependence of the band gap with increasing O content can be explained by the band anticrossing interaction between the temperature dependent conduction band of ZnSe host matrix and the temperature independent on the absolute scale energy highly localized O states. It has been shown that the assumption of constant energy separation between the oxygen level and the valence band cannot be applied in order to achieve good quantitative agreement of the theoretical and experiment data.
C1 [Welna, M.; Baranowski, M.; Kudrawiec, R.] Wroclaw Univ Sci & Technol, Fac Fundamental Problems Technol, Wybrzeze Wyspianskiego 27, PL-50370 Wroclaw, Poland.
[Welna, M.; Walukiewicz, W.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Nabetani, Y.] Univ Yamanashi, Dept Elect Engn, Takeda 4-3-11, Kofu, Yamanashi 4008511, Japan.
RP Welna, M (reprint author), Wroclaw Univ Sci & Technol, Fac Fundamental Problems Technol, Wybrzeze Wyspianskiego 27, PL-50370 Wroclaw, Poland.; Welna, M (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
EM monika.welna@pwr.edu.pl
FU National Science Centre HARMONIA [2013/10/M/ST3/00638]; National Science
Centre through grant ETIUDA [2013/08/T/ST3/00400]; Office of Science,
Office of Basic Energy Sciences, Materials Sciences and Engineering
Division, of the US Department of Energy [DE-AC02-05CH11231]
FX This work was performed within the grant of the National Science Centre
HARMONIA 2013/10/M/ST3/00638. In addition M W acknowledges the financial
support from the National Science Centre through grant ETIUDA no.
2013/08/T/ST3/00400. The work performed at LBNL was supported by the
Director, Office of Science, Office of Basic Energy Sciences, Materials
Sciences and Engineering Division, of the US Department of Energy under
Contract No. DE-AC02-05CH11231.
NR 27
TC 0
Z9 0
U1 7
U2 7
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0268-1242
EI 1361-6641
J9 SEMICOND SCI TECH
JI Semicond. Sci. Technol.
PD JAN
PY 2017
VL 32
IS 1
AR 015005
DI 10.1088/1361-6641/32/1/015005
PG 6
WC Engineering, Electrical & Electronic; Materials Science,
Multidisciplinary; Physics, Condensed Matter
SC Engineering; Materials Science; Physics
GA EH0XC
UT WOS:000391486500001
ER
PT J
AU Eisazadeh, H
Bunn, J
Aidun, DK
AF Eisazadeh, H.
Bunn, J.
Aidun, D. K.
TI Numerical and Experimental Investigation of Residual Stress Distribution
in a Dissimilar Ferritic-Austenitic Weld The martensitic phase has a
significant influence on the transverse and longitudinal residual stress
components
SO WELDING JOURNAL
LA English
DT Article
DE Finite Element (FE) Modeling of Residual Stress; Dissimilar Weld;
Martensite Phase; Neutron Diffraction
ID CARBON-STEEL; PREDICTION; JOINTS; DISTORTION
AB In this study, a model considering an asymmetric power heat distribution, temperature-dependent material properties, strain hardening, and phase transformation was developed to predict the temperature field and residual stress distribution in a gas tungsten arc (GTA) dissimilar weld between austenitic stainless steel (AISI 304) and low-carbon steel (AISI 1018). The effect of martensite formation on the longitudinal and transverse residual stress distributions were investigated using both finite element (FE) model and neutron diffraction measurements. The results indicated that the martensitic phase had a significant influence on the transverse and longitudinal residual stress components. The martensitic phase does not only change the distribution of residual stresses near the weld centerline but can also alter the peak value of the residual stress. The calculated temperature and weld zone (WZ) profile were in agreement with the experimental results from thermocouples and a macrograph of the weld. Favorable agreement was also found between the calculated residual stress distribution from the FE model and residual stress measurements obtained by neutron diffraction.
C1 [Eisazadeh, H.; Aidun, D. K.] Clarkson Univ, Dept Mech & Aeronaut Engn, Potsdam, NY 13699 USA.
[Bunn, J.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN USA.
RP Aidun, DK (reprint author), Clarkson Univ, Dept Mech & Aeronaut Engn, Potsdam, NY 13699 USA.
EM daidun@clarkson.edu
FU Scientific User Facilities Division, Office of Basic Energy Sciences,
U.S. Department of Energy
FX A portion of this research at ORNL's High Flux Isotope Reactor was
sponsored by the Scientific User Facilities Division, Office of Basic
Energy Sciences, U.S. Department of Energy. Also, the authors would like
to thank Professor John Goldak for his valuable suggestions.
NR 40
TC 0
Z9 0
U1 1
U2 1
PU AMER WELDING SOC
PI MIAMI
PA 550 N W LEJEUNE RD, MIAMI, FL 33126 USA
SN 0043-2296
J9 WELD J
JI Weld. J.
PD JAN
PY 2017
VL 96
IS 1
BP 21S
EP 30S
PG 10
WC Metallurgy & Metallurgical Engineering
SC Metallurgy & Metallurgical Engineering
GA EG6OD
UT WOS:000391164900024
ER
PT J
AU Magazu, S
Mezei, F
Falus, P
Farago, B
Mamontov, E
Russina, M
Migliardo, F
AF Magazu, S.
Mezei, F.
Falus, P.
Farago, B.
Mamontov, E.
Russina, M.
Migliardo, F.
TI Protein dynamics as seen by (quasi) elastic neutron scattering
SO BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS
LA English
DT Article
DE Neutron scattering; Lamb-Mossbauer factor; Mean Square Displacement;
Resolution elastic neutron scattering; Elastic incoherent scattering
ID RESOLUTION
AB Background: Elastic and quasielastic neutron scattering studies proved to be efficient probes of the atomic mean square displacement (MSD), a fundamental parameter for the characterization of the motion of individual atoms in proteins and its evolution with temperature and compositional environment.
Scope of review: We present a technical overview of the different types of experimental situations and the information quasi-elastic neutron scattering approaches can make available. In particular, MSD can crucially depend on the time scale over which the averaging (building of the "mean") takes place, being defined by the instrumental resolution. Due to their high neutron scattering cross section, hydrogen atoms can be particularly sensitively observed with little interference by the other atoms in the sample. A few examples, including new data, are presented for illustration.
Major conclusions: The incoherent character of neutron scattering on hydrogen atoms restricts the information obtained to the self-correlations in the motion of individual atoms, simplifying at the same time the data analysis. On the other hand, the (often overlooked) exploration of the averaging time dependent character of MSD is crucial for unambiguous interpretation and can provide a wealth of information on micro- and nanoscale atomic motion in proteins.
General significance: By properly exploiting the broad range capabilities of (quasi)elastic neutron scattering techniques to deliver time dependent characterization of atomic displacements, they offer a sensitive, direct and simple to interpret approach to exploration of the functional activity of hydrogen atoms in proteins. Partial deuteration can add most valuable selectivity by groups of hydrogen atoms. "This article is part of a Special Issue entitled "Science for Life" Guest Editor: Dr. Austen Angell, Dr. Salvatore Magazu and Dr. Federica Migliardo". (C) 2016 Elsevier B.V. All rights reserved.
C1 [Magazu, S.] Univ Messina, Dept Math & Informat Sci Phys Sci & Earth Sci, Viale Alcontres 31, I-98166 Messina, Italy.
[Mezei, F.] European Spallat Source ERIC, POB 176, S-22100 Lund, Sweden.
[Mezei, F.] HAS Wigner Researh Ctr, POB 49, H-1525 Budapest, Hungary.
[Falus, P.; Farago, B.] Inst Laue Langevin, BP 156, F-38042 Grenoble 9, France.
[Mamontov, E.] Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA.
[Russina, M.] Helmholtz Zentrum Berlin, Glienicker Str 100, D-14109 Berlin, Germany.
[Migliardo, F.] Univ Messina, Dept Chem Biol Pharmaceut & Environm Sci, Viale Alcontres 31, I-98166 Messina, Italy.
[Migliardo, F.] Univ Paris 11, CEA CNRS, Inst Integrat Biol Cell I2BC, F-91400 Orsay, France.
RP Mezei, F (reprint author), ESS ERIC, BOX 176, S-22100 Lund, Sweden.
EM ferenc.mezei@esss.se
RI Mamontov, Eugene/Q-1003-2015
OI Mamontov, Eugene/0000-0002-5684-2675
FU Elettra - Sincrotrone Trieste
FX The authors gratefully acknowledge ILL for the dedicated runs at the IN5
and IN10 spectrometers and Jacques Ollivier, Claudia Mondelli and Miguel
Gonzalez for their support during measurements. Salvatore Magazii and
Federica Migliardo gratefully acknowledge financial support from Elettra
- Sincrotrone Trieste in the framework of the PIK project "Resolution
Elastic Neutron Scattering Time-of-flight Spectrometer Operating in the
Repetition Rate Multiplication Mode".
NR 12
TC 1
Z9 1
U1 6
U2 6
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0304-4165
EI 1872-8006
J9 BBA-GEN SUBJECTS
JI Biochim. Biophys. Acta-Gen. Subj.
PD JAN
PY 2017
VL 1861
IS 1
SI SI
BP 3504
EP 3512
DI 10.1016/j.bbagen.2016.07.030
PN B
PG 9
WC Biochemistry & Molecular Biology; Biophysics
SC Biochemistry & Molecular Biology; Biophysics
GA EG0TM
UT WOS:000390745100002
PM 27476795
ER
PT J
AU Mamontov, E
O'Neill, H
AF Mamontov, E.
O'Neill, H.
TI Microscopic relaxations in a protein sustained down to 160 K in a
non-glass forming organic solvent
SO BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS
LA English
DT Article
DE Protein; Microscopic dynamics; Non-aqueous solvent
ID COVALENT CROSS-LINKING; NEUTRON-SCATTERING; DYNAMICAL TRANSITION;
CARBON-DISULFIDE; ENZYME-ACTIVITY; ERYTHROCYTE SPECTRIN;
AQUEOUS-SOLUTIONS; HYDRATION WATER; FLUCTUATIONS; TEMPERATURE
AB Background: We have studied microscopic dynamics of a protein in carbon disulfide, a non-glass forming solvent, down to its freezing temperature of ca. 160 K.
Methods: We have utilized quasielastic neutron scattering.
Results: A comparison of lysozyme hydrated with water and dissolved in carbon disulfide reveals a stark difference in the temperature dependence of the protein's microscopic relaxation dynamics induced by the solvent. In the case of hydration water, the common protein glass-forming solvent, the protein relaxation slows down in response to a large increase in the water viscosity on cooling down, exhibiting a well-known protein dynamical transition. The dynamical transition disappears in non-glass forming carbon disulfide, whose viscosity remains a weak function of temperature all the way down to freezing at just below 160 K. The microscopic relaxation dynamics of lysozyme dissolved in carbon disulfide is sustained down to the freezing temperature of its solvent at a rate similar to that measured at ambient temperature.
Conclusions: Our results demonstrate that protein dynamical transition is not merely solvent-assisted, but rather solvent-induced, or, more precisely, is a reflection of the temperature dependence of the solvent's glass-forming dynamics.
General significance: We hypothesize that, if the long debated idea regarding the direct link between the microscopic relaxations and the biological activity in proteins is correct, then not only the microscopic relaxations, but also the activity, could be sustained in proteins all the way down to the freezing temperature of a non-glass forming solvent with a weak temperature dependence of its viscosity. This article is part of a Special Issue entitled "Science for Life" Guest Editor: Dr. Austen Angell, Dr. Salvatore Magazh and Dr. Federica Migliardo. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Mamontov, E.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Neutron Sci Directorate, Oak Ridge, TN 37831 USA.
[O'Neill, H.] Oak Ridge Natl Lab, Biol & Soft Matter Div, Neutron Sci Directorate, Oak Ridge, TN 37831 USA.
RP Mamontov, E (reprint author), Oak Ridge Natl Lab, Chem & Engn Mat Div, Neutron Sci Directorate, Oak Ridge, TN 37831 USA.
EM mamontove@ornl.gov
RI Mamontov, Eugene/Q-1003-2015
OI Mamontov, Eugene/0000-0002-5684-2675
FU Scientific User Facilities Division, Office of Basic Energy Sciences,
U.S. Department of Energy (DOE); Office of Biological and Environmental
Research, U.S. DOE [ERKP291]; U.S. DOE [DE-AC05-00OR22725]
FX The authors are grateful to Q. Zhang for her generous help with sample
preparation and handling. The neutron scattering experiments at Oak
Ridge National Laboratory's (ORNL) Spallation Neutron Source were
supported by the Scientific User Facilities Division, Office of Basic
Energy Sciences, U.S. Department of Energy (DOE). The authors
acknowledge ORNL's Center for Structural Molecular Biology (Project
ERKP291) supported by the Office of Biological and Environmental
Research, U.S. DOE. ORNL is managed by UTBattelle, LLC, for the U.S. DOE
under contract no. DE-AC05-00OR22725.
NR 54
TC 1
Z9 1
U1 7
U2 7
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0304-4165
EI 1872-8006
J9 BBA-GEN SUBJECTS
JI Biochim. Biophys. Acta-Gen. Subj.
PD JAN
PY 2017
VL 1861
IS 1
SI SI
BP 3513
EP 3519
DI 10.1016/j.bbagen.2016.04.024
PN B
PG 7
WC Biochemistry & Molecular Biology; Biophysics
SC Biochemistry & Molecular Biology; Biophysics
GA EG0TM
UT WOS:000390745100003
PM 27154287
ER
PT J
AU Eckert, J
AF Eckert, Juergen
TI Computational study of inelastic neutron scattering vibrational spectra
of water clusters and their relevance to hydration water in proteins
SO BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS
LA English
DT Article
DE Water clusters; Vibrational spectra; Inelastic neutron scattering;
Protein hydration water
ID (H2O)(N); HYDROGEN; MOLECULES; LIQUID; ICE
AB Background: Inelastic neutron scattering (INS) vibrational spectra for hydration water in proteins can be obtained from spectral differences, but their interpretation has mainly been limited to comparisons with various forms of ice at high hydration levels without making use of available structural information from neutron protein crystallography.
Methods: The INS vibrational spectra of free and partially constrained water clusters (up to n = 17) were calculated with DFT methods using published energy-minimized structures.
Results: Reference is made to neutron diffraction studies of hydrated proteins, which contain a wealth of structural information both on individual water molecules and small clusters in the inner "shell" in order to select representative clusters to serve as models for bound, rather than free clusters as they would occur in a protein.
Conclusions: INS spectra of the water librational region calculated for a combination of model bound clusters provide a qualitative account of the essentially featureless experimental spectra on water in proteins at very low hydration levels, but do indicate that the well-known rise in intensity near 500 cm(-1) is connected to increasing numbers of four-coordinate water molecules in larger clusters.
General significance: The combination of structural information of hydration water from neutron protein crystallography with much more sophisticated computational methods than used herein should lead to a much more detailed picture of the hydration of proteins. This article is part of a Special Issue entitled "Science for Life" Guest Editor: Dr. Austen Angell, Dr. Salvatore Magazii and Dr. Federica Migliardo. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Eckert, Juergen] Univ S Florida, Dept Chem, Tampa, FL 33620 USA.
[Eckert, Juergen] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RP Eckert, J (reprint author), Univ S Florida, Dept Chem, Tampa, FL 33620 USA.
EM juergen@usf.edu
NR 27
TC 1
Z9 1
U1 4
U2 4
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0304-4165
EI 1872-8006
J9 BBA-GEN SUBJECTS
JI Biochim. Biophys. Acta-Gen. Subj.
PD JAN
PY 2017
VL 1861
IS 1
SI SI
BP 3564
EP 3572
DI 10.1016/j.bbagen.2016.08.004
PN B
PG 9
WC Biochemistry & Molecular Biology; Biophysics
SC Biochemistry & Molecular Biology; Biophysics
GA EG0TM
UT WOS:000390745100009
PM 27531711
ER
PT J
AU Milosevic, I
Motte, L
Aoun, B
Li, T
Ren, Y
Sun, CJ
Saboungi, ML
AF Milosevic, Irena
Motte, Laurence
Aoun, Bachir
Li, Tao
Ren, Yang
Sun, Chengjun
Saboungi, Marie-Louise
TI Effects of coating spherical iron oxide nanoparticles
SO BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS
LA English
DT Article
DE Magnetic nanoparticle; Coating; Valence state; Synchrotron X-ray
ID TARGETING ALPHA(V)BETA(3) INTEGRINS; SURFACE FUNCTIONALIZATION; MAGNETIC
NANOPARTICLES; SIZE; BISPHOSPHONATE; BIOMEDICINE; MRI
AB We investigate the effect of several coatings applied in biomedical applications to iron oxide nanoparticles on the size, structure and composition of the particles. The four structural techniques employed - TEM, DLS, VSM, SAXS and EXAFS - show no significant effects of the coatings on the spherical shape of the bare nanoparticles, the average sizes or the local order around the Fe atoms. The NPs coated with hydroxylmethylene bisphosphonate or catechol have a lower proportion of magnetite than the bare and citrated ones, raising the question whether the former are responsible for increasing the valence state of the oxide on the NP surfaces and lowering the overall proportion of magnetite in the particles. VSM measurements show that these two coatings lead to a slightly higher saturation magnetization than the citrate. This article is part of a Special Issue entitled "Science for Life" Guest Editor: Dr. Austen Angell, Dr. Salvatore Magazu and Dr. Federica Migliardo. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Milosevic, Irena] Ecole Polytech Fed Lausanne, Powder Technol Lab, CH-1015 Lausanne, Switzerland.
[Motte, Laurence] Univ Paris 13, UFR SMBH, INSERM, U1148,Lab Vascular Translat Sci,UFR SMBH, F-93017 Bobigny, France.
[Aoun, Bachir; Li, Tao; Ren, Yang; Sun, Chengjun] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Saboungi, Marie-Louise] UPMC, IMPMC, UMR CNRS 7590, 4 Pl Jussieu, F-75005 Paris, France.
[Saboungi, Marie-Louise] Univ Orleans, Orleans, France.
[Saboungi, Marie-Louise] BCMat, Edificio 500,Parque Tecnol Vizcaya, Derio 48160, Spain.
RP Saboungi, ML (reprint author), UPMC, IMPMC, UMR CNRS 7590, 4 Pl Jussieu, F-75005 Paris, France.
EM ml.saboungi@gmail.com
OI motte, laurence/0000-0001-6129-539X
FU DOE [DE-AC02-06CH11357]; Spanish Ministry of Economy and Competitiveness
[MAT2013-48366-C2-1]
FX Use of the Advanced Photon Source, an Office of Science User Facility
operated for the DOE Office of Science by Argonne National Laboratory,
was supported by the DOE under Contract No. DE-AC02-06CH11357. MLS
acknowledges funding from the Spanish Ministry of Economy and
Competitiveness (grant MAT2013-48366-C2-1).
NR 29
TC 1
Z9 1
U1 13
U2 13
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0304-4165
EI 1872-8006
J9 BBA-GEN SUBJECTS
JI Biochim. Biophys. Acta-Gen. Subj.
PD JAN
PY 2017
VL 1861
IS 1
SI SI
BP 3621
EP 3626
DI 10.1016/j.bbagen.2016.05.016
PN B
PG 6
WC Biochemistry & Molecular Biology; Biophysics
SC Biochemistry & Molecular Biology; Biophysics
GA EG0TM
UT WOS:000390745100014
PM 27217073
ER
PT J
AU Magazu, S
Mamontov, E
AF Magazu, S.
Mamontov, E.
TI A neutron spectrometer concept implementing RENS for studies in life
sciences
SO BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS
LA English
DT Article
DE Neutron scattering; Elastic incoherent scattering; Resolution elastic
neutron scattering; Life sciences
ID DYNAMICAL-TRANSITION; PROTEIN DYNAMICS; SCATTERING; HYDRATION; LYSOZYME;
SYSTEMS; MOTIONS; LIGHT; NMR
AB Background: Resolution Elastic Neutron Scattering (RENS) method involves performing elastic scattering intensity scans as a function of the instrumental energy resolution and as a function of temperature.
Methods: In the framework of RENS, numerical simulation and experimental data show that in the measured elastic scattering law against the logarithm of the instrumental energy resolution an inflection point occurs when the resolution time intersects the system relaxation time; conversely, in the measured elastic scattering law against temperature an inflection point turns up when the system relaxation time intersects the resolution time.
Results: For practical implementation of the RENS technique, a dedicated neutron spectrometer would be needed. Here we propose a concept of such a spectrometer that utilizes mechanical velocity selection of both incident and scattered neutrons over a wide angular range. The instrument is able to collect intensity scans vs energy resolution where the instrumental resolution time changes crisscrossing the system relaxation time, and intensity scans vs temperature where the system relaxation time changes intersecting the instrumental resolution time.
Conclusions: We propose a RENS spectrometer concept based on velocity selection of incident neutrons and wide-angle velocity selection of scattered neutrons achieved by the same rotating collimator-type mechanical device with the optimized shape of blades.
General Significance: RENS spectrometer is strongly appealing and innovative because of the simultaneous data collection as a function of energy resolution, wide wavevector range and temperature. Such a spectrometer would be the first practical implementation of RENS concept with a broad range of applications in Life Sciences. This article is part of a Special Issue entitled "Science for Life" Guest Editor: Dr. Austen Angell, Dr. Salvatore Magazu and Dr. Federica Migliardo. (C) 2016 Published by Elsevier B.V.
C1 [Magazu, S.] Univ Messina, Dept Math & Informat Sci Phys Sci & Earth Sci, I-98166 Messina, Italy.
[Mamontov, E.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Neutron Sci Directorate, Oak Ridge, TN 37831 USA.
RP Magazu, S (reprint author), Univ Messina, Dept Math & Informat Sci Phys Sci & Earth Sci, I-98166 Messina, Italy.
EM smagazu@unime.it
RI Mamontov, Eugene/Q-1003-2015
OI Mamontov, Eugene/0000-0002-5684-2675
FU Laboratory Directed Research and Development Program [32112563]
FX Research efforts of E. M. at ORNL that contributed to this paper were
supported by the Laboratory Directed Research and Development Program
(project 32112563).
NR 38
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U1 3
U2 3
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0304-4165
EI 1872-8006
J9 BBA-GEN SUBJECTS
JI Biochim. Biophys. Acta-Gen. Subj.
PD JAN
PY 2017
VL 1861
IS 1
SI SI
BP 3632
EP 3637
DI 10.1016/j.bbagen.2016.04.017
PN B
PG 6
WC Biochemistry & Molecular Biology; Biophysics
SC Biochemistry & Molecular Biology; Biophysics
GA EG0TM
UT WOS:000390745100016
PM 27118237
ER
PT J
AU Vural, D
Hu, XH
Lindner, B
Jain, N
Miao, YL
Cheng, XL
Liu, Z
Hong, L
Smith, JC
AF Vural, Derya
Hu, Xiaohu
Lindner, Benjamin
Jain, Nitin
Miao, Yinglong
Cheng, Xiaolin
Liu, Zhuo
Hong, Liang
Smith, Jeremy C.
TI Quasielastic neutron scattering in biology: Theory and applications
SO BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS
LA English
DT Article
DE Dynamics; Biomolecules; Neutron scattering; MD simulation
ID MOLECULAR-DYNAMICS SIMULATIONS; SPIN-ECHO SPECTROSCOPY;
MAGNETIC-RESONANCE RELAXATION; PROTEIN DOMAIN MOTION; MODEL-FREE
APPROACH; PHOSPHOGLYCERATE KINASE; X-RAY; ORIENTED ANALYSIS; PURPLE
MEMBRANES; GLOBULAR PROTEIN
AB Neutrons scatter quasielastically from stochastic, diffusive processes, such as overdamped vibrations, localized diffusion and transitions between energy minima. In biological systems, such as proteins and membranes, these relaxation processes are of considerable physical interest. We review here recent methodological advances and applications of quasielastic neutron scattering (QENS) in biology, concentrating on the role of molecular dynamics simulation in generating data with which neutron profiles can be unambiguously interpreted. We examine the use of massively-parallel computers in calculating scattering functions, and the application of Markov state modeling. The decomposition of MD-derived neutron dynamic susceptibilities is described, and the use of this in combination with NMR spectroscopy. We discuss dynamics at very long times, including approximations to the infinite time mean-square displacement and nonequilibrium aspects of single-protein dynamics. Finally, we examine how neutron scattering and MD can be combined to provide information on lipid nanodomains. This article is part of a Special Issue entitled "Science for Life" Guest Editor: Dr. Austen Angell, Dr. Salvatore Magazu and Dr. Federica Migliardo. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Lindner, Benjamin; Liu, Zhuo; Hong, Liang] Shanghai Jiao Tong Univ, Inst Nat Sci, Shanghai 200240, Peoples R China.
[Lindner, Benjamin; Liu, Zhuo; Hong, Liang] Shanghai Jiao Tong Univ, Dept Phys & Astron, Shanghai 200240, Peoples R China.
[Vural, Derya; Hu, Xiaohu; Jain, Nitin; Miao, Yinglong; Cheng, Xiaolin; Smith, Jeremy C.] Oak Ridge Natl Lab, Ctr Biophys Mol, Oak Ridge, TN 37831 USA.
[Vural, Derya; Hu, Xiaohu; Jain, Nitin; Miao, Yinglong; Cheng, Xiaolin; Smith, Jeremy C.] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, IN 37996 USA.
RP Smith, JC (reprint author), Oak Ridge Natl Lab, Ctr Biophys Mol, Oak Ridge, TN 37831 USA.
EM smithjc@ornl.gov
RI hong, liang/D-5647-2012
FU U.S. Department of Energy's (DOE) Office of Science, Genomic Science
Program, Office of Biological and Environmental Research [ERKP752];
Office of Science of DOE [DE-AC05-00OR22725]
FX This research is funded by the U.S. Department of Energy's (DOE) Office
of Science, Genomic Science Program, Office of Biological and
Environmental Research, under Contract FWP ERKP752. This research used
resources of the Oak Ridge Leadership Computing Facility at the Oak
Ridge National Laboratory, which is supported by the Office of Science
of DOE under Contract No. DE-AC05-00OR22725.
NR 88
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U1 15
U2 15
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0304-4165
EI 1872-8006
J9 BBA-GEN SUBJECTS
JI Biochim. Biophys. Acta-Gen. Subj.
PD JAN
PY 2017
VL 1861
IS 1
SI SI
BP 3638
EP 3650
DI 10.1016/j.bbagen.2016.06.015
PN B
PG 13
WC Biochemistry & Molecular Biology; Biophysics
SC Biochemistry & Molecular Biology; Biophysics
GA EG0TM
UT WOS:000390745100017
PM 27316321
ER
PT J
AU Weber, JKR
Benmore, CJ
Suthar, KJ
Tamalonis, AJ
Alderman, OLG
Sendelbach, S
Kondev, V
Yarger, J
Rey, CA
Byrn, SR
AF Weber, J. K. R.
Benmore, C. J.
Suthar, K. J.
Tamalonis, A. J.
Alderman, O. L. G.
Sendelbach, S.
Kondev, V.
Yarger, J.
Rey, C. A.
Byrn, S. R.
TI Using containerless methods to develop amorphous pharmaceuticals
SO BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS
LA English
DT Article
DE Amorphous Pharmaceuticals; Acoustic Levitation; Containerless; Spray
Drying
ID CRYOGENIC TEMPERATURES; ACOUSTIC LEVITATION; SOLIDS; DRUGS;
STABILIZATION; DEHYDRATION; EXCIPIENTS; DROPLETS; SYSTEMS; PHASES
AB Background: Many pipeline drugs have low solubility in their crystalline state and require compounding in special dosage forms to increase bioavailability for oral administration. The use of amorphous formulations increases solubility and uptake of active pharmaceutical ingredients. These forms are rapidly gaining commercial importance for both pre-clinical and clinical use.
Methods: Synthesis of amorphous drugs was performed using an acoustic levitation containerless processing method and spray drying. The structure of the products was investigated using in-situ high energy X-ray diffraction. Selected solvents for processing drugs were investigated using acoustic levitation. The stability of amorphous samples was measured using X-ray diffraction. Samples processed using both spray drying and containerless synthesis were compared.
Results: We review methods for making amorphous pharmaceuticals and present data on materials made by containerless processing and spray drying. It was shown that containerless processing using acoustic levitation can be used to make phase-pure forms of drugs that are known to be difficult to amorphize. The stability and structure of the materials was investigated in the context of developing and making clinically useful formulations.
Conclusions: Amorphous compounds are emerging as an important component of drug development and for the oral delivery of drugs with low solubility. Containerless techniques can be used to efficiently synthesize small quantities of pure amorphous forms that are potentially useful in pre-clinical trials and for use in the optimization of clinical products.
General significance: Developing new pharmaceutical products is an essential enterprise to improve patient outcomes. The development and application of amorphous pharmaceuticals to increase absorption is rapidly gaining importance and it provides opportunities for breakthrough research on new drugs. There is an urgent need to solve problems associated with making formulations that are both stable and that provide high bioavailability. This article is part of a Special Issue entitled "Science for Life" Guest Editor: Dr. Austen Angell, Dr. Salvatore Magazii and Dr. Federica Migliardo. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Weber, J. K. R.; Tamalonis, A. J.; Alderman, O. L. G.; Sendelbach, S.] MDI, Arlington, IL 04660 USA.
[Weber, J. K. R.; Benmore, C. J.; Suthar, K. J.; Alderman, O. L. G.; Kondev, V.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Benmore, C. J.; Yarger, J.] Arizona State Univ, Tempe, AZ USA.
[Rey, C. A.] C Rey Inc, Evanston, IL USA.
[Byrn, S. R.] Purdue Univ, Lafayette, IN USA.
RP Weber, JKR (reprint author), MDI, Arlington, IL 04660 USA.
EM rweber@anl.gov
OI Benmore, Chris/0000-0001-7007-7749
FU internal RD; National Institutes of Health [1R43GM117701]; Office of
Basic Energy Sciences, U.S. Department of Energy [DE-AC02-06CH11357]
FX Work at MDI was supported by internal R&D (JKRW, OA, OLGA, SS) and grant
number 1R43GM117701 from the National Institutes of Health. Work at the
Advanced Photon Source, Argonne National Laboratory was supported by the
Office of Basic Energy Sciences, U.S. Department of Energy, under
contract number DE-AC02-06CH11357 (CJB, KS). We thank Douglas Robinson
and Rick Spence at the Advanced Photon Source for help with the beamline
experiments.
NR 43
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U1 5
U2 5
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0304-4165
EI 1872-8006
J9 BBA-GEN SUBJECTS
JI Biochim. Biophys. Acta-Gen. Subj.
PD JAN
PY 2017
VL 1861
IS 1
SI SI
BP 3686
EP 3692
DI 10.1016/j.bbagen.2016.03.037
PN B
PG 7
WC Biochemistry & Molecular Biology; Biophysics
SC Biochemistry & Molecular Biology; Biophysics
GA EG0TM
UT WOS:000390745100021
PM 27062908
ER
PT J
AU Yuan, RH
Balachandran, PV
Xue, DQ
Zhou, YM
Ding, XD
Sun, J
Lookman, T
Xue, DZ
AF Yuan, Ruihao
Balachandran, Prasanna V.
Xue, Deqing
Zhou, Yumei
Ding, Xiangdong
Sun, Jun
Lookman, Turab
Xue, Dezhen
TI Role of cadmium on the phase transitions and electrical properties of
BaTiO3 ceramics
SO CERAMICS INTERNATIONAL
LA English
DT Article
DE Ceramics; Cd2+; MPB; Piezoelectric; Ferroelectric; Lead-free
ID LEAD-FREE PIEZOCERAMICS; BOUNDARIES; PIEZOELECTRICS; SYSTEM
AB The search for high piezoelectric and electromechanical properties near morphotropic phase boundaries (MPB) in lead-free ceramics has attracted considerable interest. The MPB can be obtained in the composition temperature phase diagram by combining stabilized rhombohedral (R) and tetragonal (T) ends, which possess cubic (C) to R or C to T transitions, respectively. The R-end is usually realized by doping ions Zr4+, Hf4+ or Sn4+ at the Ti4+ site, whereas the T-end can be generated by Ca2+ doped at the Ba2+ site of BaTiO3. Our recent computational work (Phys. Rev. B. 93, 144111, 2016) showed that Cd2+ doped BaTiO3 can be considered as a potential T-end. In the present study, we synthesized (Ba1-xCdx)TiO3 ceramics to investigate the effects of Cd2+ on the phase transition, dielectric, ferroelectric and piezoelectric properties of the ceramics. Although our results show that Cd2+ fails to stabilize the T phase, i.e., the transition temperatures vary little with Cd2+ concentration, the electrical properties are found to be optimized for Cd2+% of 5%. The optimization of the properties is related to the microstructural features including grain size and sample density.
C1 [Yuan, Ruihao; Xue, Deqing; Zhou, Yumei; Ding, Xiangdong; Sun, Jun; Xue, Dezhen] Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China.
[Balachandran, Prasanna V.; Lookman, Turab] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Xue, DZ (reprint author), Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China.
EM xuedezhen@mail.xjtu.edu.cn
RI XUE, Dezhen/A-6062-2010
OI XUE, Dezhen/0000-0001-6132-1236
FU National Basic Research Program of China [2012CB619401]; National
Natural Science Foundation of China [51302209, 51671157, 51571156,
51321003, 51431007, 51320105014]; 111 Project of China [B06025]; LDRD
program at Los Alamos National Laboratory
FX The authors gratefully acknowledge the support of National Basic
Research Program of China (Grant no. 2012CB619401), the National Natural
Science Foundation of China (Grant nos. 51302209, 51671157, 51571156,
51321003, 51431007, and 51320105014), and 111 Project of China (B06025).
They are also grateful to the LDRD program at Los Alamos National
Laboratory for support.
NR 37
TC 0
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U1 14
U2 14
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0272-8842
EI 1873-3956
J9 CERAM INT
JI Ceram. Int.
PD JAN
PY 2017
VL 43
IS 1
BP 1114
EP 1120
DI 10.1016/j.ceramint.2016.10.049
PN B
PG 7
WC Materials Science, Ceramics
SC Materials Science
GA EG0QK
UT WOS:000390737100028
ER
PT J
AU Kebukawa, Y
Zolensky, ME
Chan, QHS
Nagao, K
Kilcoyne, ALD
Bodnar, RJ
Farley, C
Rahman, Z
Le, L
Cody, GD
AF Kebukawa, Yoko
Zolensky, Michael E.
Chan, Queenie H. S.
Nagao, Keisuke
Kilcoyne, A. L. David
Bodnar, Robert J.
Farley, Charles
Rahman, Zia
Le, Loan
Cody, George D.
TI Characterization of carbonaceous matter in xenolithic clasts from the
Sharps (H3.4) meteorite: Constraints on the origin and thermal
processing
SO GEOCHIMICA ET COSMOCHIMICA ACTA
LA English
DT Article
DE Ordinary chondrites; FTIR spectroscopy; Raman spectroscopy; TEM; Noble
gases; XANES; Organic matter
ID EARLY SOLAR-SYSTEM; ORGANIC-MATTER; RAMAN-SPECTROSCOPY; ORDINARY
CHONDRITES; NOBLE-GASES; PARENT-BODY; MATERIAL GEOTHERMOMETER;
AROMATIC-HYDROCARBONS; PRIMITIVE METEORITES; ISOTOPIC COMPOSITION
AB Primitive xenolithic clasts, often referred to as `` dark clasts", are well known in many regolith breccias. The Sharps H3.4 ordinary chondrite contains unusually large dark clasts up to similar to 1 cm across. Poorly-graphitized carbon (PGC), with Fe, Ni metal and described as `` carbon-rich aggregates", has been reported in these clasts (Brearley, 1990). We report detailed analyses of carbonaceous matter in several identical Sharps clasts using FTIR, Raman, C-XANES, and TEM that provide insight on the extent of thermal processing and possible origin of such clasts. We also prepared acid residues of the clasts using the HCl/HF method and conducted mass spectrometric analysis of the entrained noble gases.
Carbonaceous matter is often used to infer thermal history due to its sensitivity to thermal processes. The FTIR spectra of the acid residue from the Sharps clast suggest that carbonaceous matter in the clast contains less hydrogen and oxygen compared to acid residues from typical type 3.4 ordinary chondrites. The metamorphic temperatures obtained by Raman spectroscopy ranges between similar to 380 degrees C and similar to 490 degrees C. TEM observations indicate that the clasts experienced a peak temperature of 300 degrees C to 400 degrees C, based on the carbon d(002) layer lattice spacing of C-rich aggregates. These estimates are consistent with an earlier estimate of 330 +/- 50 degrees C, that is also estimated by the d(002) layer lattice spacing (Brearley, 1990). It should be noted that the lattice spacing thermometer is based on terrestrial metamorphose rocks, and thus temperature was probably underestimated. Meanwhile, the C-XANES spectra of the C-rich aggregates show high exciton intensities, indicative of graphene structures that developed at around 700-800 degrees C following an extensive period of time (millions of years), however, the surrounding matrix areas experienced lower temperatures of less than 300-500 degrees C. Noble gas analysis of the acid residue from the Sharps clasts shows that the residue is almost identical with some material reported in carbonaceous chondrites, i.e., heavily enriched in the Q-gas component as well as HL-gas from presolar diamonds and Ne-E(H) from presolar SiC.
These results indicate that the C-rich aggregates in the Sharps clasts formed under relatively high temperature conditions, up to 800 degrees C, and were subsequently mixed with lower temperature matrix, probably in a different parent body, before they were incorporated into the final Sharps lithology by collision. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Kebukawa, Yoko] Yokohama Natl Univ, Fac Engn, Hodogaya Ku, 79-5 Tokiwadai, Yokohama, Kanagawa 2408501, Japan.
[Zolensky, Michael E.; Chan, Queenie H. S.] NASA Johnson Space Ctr, ARES, 2101 NASA Pkwy, Houston, TX 77058 USA.
[Nagao, Keisuke] Univ Tokyo, Grad Sch Sci, Geochem Res Ctr, Bunkyo Ku, Tokyo 1130033, Japan.
[Kilcoyne, A. L. David] Lawrence Berkeley Natl Lab, Adv Light Source, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Bodnar, Robert J.; Farley, Charles] Virginia Tech, Dept Geosci, Blacksburg, VA 24061 USA.
[Rahman, Zia; Le, Loan] Jacobs NASA Johnson Space Ctr, Houston, TX 77058 USA.
[Cody, George D.] Carnegie Inst Sci, Geophys Lab, 5251 Broad Branch Rd NW, Washington, DC 20015 USA.
[Nagao, Keisuke] Korea Polar Res Inst, 26 Songdomirae Ro, Inchon 21990, South Korea.
RP Kebukawa, Y (reprint author), Yokohama Natl Univ, Fac Engn, Hodogaya Ku, 79-5 Tokiwadai, Yokohama, Kanagawa 2408501, Japan.
EM kebukawa@ynu.ac.jp
RI Kilcoyne, David/I-1465-2013
FU NASA Astrobiology Institute; Japan Society for the Promotion of Science
(JSPS); KAKENHI [15K17794]; Astrobiology Program of National Institutes
of Natural Sciences (NINS); W. M. Keck Foundation; Office of Science,
Department of Energy [DE-AC02-05CH11231]; NASA Cosmochemistry Program;
LARS Program; NASA Postdoctoral Program at the Johnson Space Center;
Ministry of Science, ICT and Planning (MSIP) of Korea
FX We are very grateful to three anonymous reviewers and Associate Editor,
Dr. Eric Quirico for their fruitful comments for this manuscript. We
thank Marc Fries for valuable comments and discussion. We thank Dr.
Bjorn O. Mysen for providing access to the FTIR. This research was
supported by the NASA Astrobiology Institute. YK acknowledges supports
through the Japan Society for the Promotion of Science (JSPS)
Postdoctoral Fellowships and KAKENHI grant (No. 15K17794), and the
Astrobiology Program of National Institutes of Natural Sciences (NINS).
The FTIR facility at the Geophysical Laboratory was supported by the W.
M. Keck Foundation. STXM-XANES data were acquired at beamline 5.3.2.2 at
the ALS, which is supported by the Director of the Office of Science,
Department of Energy, under Contract No. DE-AC02-05CH11231. MEZ was
supported by the NASA Cosmochemistry and LARS Programs. QHSC
acknowledges support from the NASA Postdoctoral Program at the Johnson
Space Center, administered by Oak Ridge Associated Universities. KN
acknowledges the Ministry of Science, ICT and Planning (MSIP) of Korea,
for support to prepare the paper.
NR 115
TC 0
Z9 0
U1 6
U2 6
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0016-7037
EI 1872-9533
J9 GEOCHIM COSMOCHIM AC
JI Geochim. Cosmochim. Acta
PD JAN 1
PY 2017
VL 196
BP 74
EP 101
DI 10.1016/j.gca.2016.09.024
PG 28
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA EG3QG
UT WOS:000390959200005
ER
PT J
AU Blue, CR
Giuffre, A
Mergelsberg, S
Han, N
De Yoreo, JJ
Dove, PM
AF Blue, C. R.
Giuffre, A.
Mergelsberg, S.
Han, N.
De Yoreo, J. J.
Dove, P. M.
TI Chemical and physical controls on the transformation of amorphous
calcium carbonate into crystalline CaCO3 polymorphs
SO GEOCHIMICA ET COSMOCHIMICA ACTA
LA English
DT Article
DE Biomineral; Biomineralization; CaCO3; Carbonate; Calcium carbonate; ACC;
Amorphous calcium carbonate; Calcification; Paleoenvironment; Mineral
Alkalinity
ID URCHIN LARVAL SPICULE; MAGNESIUM CONTENT; PRECURSOR PHASE;
PLANKTONIC-FORAMINIFERA; SOUTH-AUSTRALIA; MG CONTENT; MONOHYDROCALCITE;
ARAGONITE; GROWTH; LAKE
AB Calcite and other crystalline polymorphs of CaCO3 can form by pathways involving amorphous calcium carbonate (ACC). Apparent inconsistencies in the literature indicate the relationships between ACC composition, local conditions, and the subsequent crystalline polymorphs are not yet established. This experimental study quantifies the control of solution composition on the transformation of ACC into crystalline polymorphs in the presence of magnesium. Using a mixed flow reactor to control solution chemistry, ACC was synthesized with variable Mg contents by tuning input pH, Mg/Ca, and total carbonate concentration. ACC products were allowed to transform within the output suspension under stirred or quiescent conditions while characterizing the evolving solutions and solids. As the ACC transforms into a crystalline phase, the solutions record a polymorph-specific evolution of pH and Mg/Ca.
The data provide a quantitative framework for predicting the initial polymorph that forms fromACC based upon the solution aMg(2+)/aCa (2+) and aCO(3) (2)/aCa(2+) and stirring versus quiescent conditions. This model reconciles discrepancies among previous studies that report on the nature of the polymorphs produced from ACC and supports the previous claim that monohydrocalcite may be an important, but overlooked, transient phase on the way to forming some aragonite and calcite deposits. By this construct, organic additives and extreme pH are not required to tune the composition and nature of the polymorph that forms.
Our measurements show that the Mg content of ACC is recorded in the resulting calcite with a approximate to 1:1 dependence. By correlating composition of these calcite products with the Mg-tot/Ca-tot of the initial solutions, we find a approximate to 3:1 dependence that is approximately linear and general to whether calcite is formed via an ACC pathway or by the classical step-propagation process. Comparisons to calcite grown in synthetic seawater show a approximate to 1:1 dependence. The relationships suggest that the local Mg2+/Ca2+ at the time of precipitation determines the calcite composition, independent of whether growth occurs via an amorphous intermediate or classical pathway for a range of supersaturations and pH conditions.
The findings reiterate the need to revisit the traditional picture of chemical and physical controls on CaCO3 polymorph selection. Mineralization by pathways involving ACC can lead to the formation of crystalline phases whose polymorphs and compositions are out of equilibrium with local growth media. As such, classical thermodynamic equilibria may not provide a reliable predictor of observed compositions. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Blue, C. R.; Giuffre, A.; Mergelsberg, S.; Han, N.; Dove, P. M.] Virginia Tech, Dept Geosci, Blacksburg, VA 24061 USA.
[De Yoreo, J. J.] Pacific Northwest Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
[De Yoreo, J. J.] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA.
[Blue, C. R.] eSci Labs, Sheridan, CO 80110 USA.
[Giuffre, A.] Univ Wisconsin, Dept Chem & Phys, Madison, WI 53706 USA.
RP Dove, PM (reprint author), Virginia Tech, Dept Geosci, Blacksburg, VA 24061 USA.
EM dove@vt.edu
FU National Science Foundation NSF [OCE-1061763]; U.S. Department of Energy
Office of Science, Office of Basic Energy Sciences [BES-FG02-00ER15112];
U.S. Department of Energy, Office of Basic Energy Sciences at the
Pacific Northwest National Laboratory (PNNL); U.S. Department of Energy
[DE-AC05-76RL01830]; Office of Science, Office of Basic Energy Sciences,
Division of Chemical Sciences, Geosciences, and Biosciences of the USDOE
[DE-AC02-05CH11231]
FX This material is based upon work supported by the National Science
Foundation NSF OCE-1061763 (PMD) and the U.S. Department of Energy
Office of Science, Office of Basic Energy Sciences under Award Number
BES-FG02-00ER15112 (PMD), and by the U.S. Department of Energy, Office
of Basic Energy Sciences at the Pacific Northwest National Laboratory
(PNNL). PNNL is operated by Battelle for the U.S. Department of Energy
under Contract DE-AC05-76RL01830. This work was also supported by the
Office of Science, Office of Basic Energy Sciences, Division of Chemical
Sciences, Geosciences, and Biosciences of the USDOE under Contract
DE-AC02-05CH11231. The opinions, findings, conclusions or
recommendations expressed in this material are those of the authors and
do not necessarily reflect the views of the DOE or the NSF. We thank
Alfonso Mucci, Bruce Watson, and two anonymous reviewers for insightful
comments that improved the manuscript during review.
NR 103
TC 0
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U1 41
U2 41
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0016-7037
EI 1872-9533
J9 GEOCHIM COSMOCHIM AC
JI Geochim. Cosmochim. Acta
PD JAN 1
PY 2017
VL 196
BP 179
EP 196
DI 10.1016/j.gca.2016.09.004
PG 18
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA EG3QG
UT WOS:000390959200010
ER
PT J
AU Bradman, A
Gaspar, F
Castorina, R
Williams, J
Hoang, T
Jenkins, PL
McKone, TE
Maddalena, R
AF Bradman, A.
Gaspar, F.
Castorina, R.
Williams, J.
Hoang, T.
Jenkins, P. L.
McKone, T. E.
Maddalena, R.
TI Formaldehyde and acetaldehyde exposure and risk characterization in
California early childhood education environments
SO INDOOR AIR
LA English
DT Article
DE Child care; Children; Air; Exposure; Formaldehyde; Acetaldehyde
ID VOLATILE ORGANIC-COMPOUNDS; INDOOR SECONDARY POLLUTANTS;
CHEMICAL-EMISSIONS; AIR-QUALITY; WORKERS; CARCINOGENICITY; MORTALITY;
PRODUCT; OUTDOOR; HEALTH
AB Little information is available about air quality in early childhood education (ECE) facilities. We collected single-day air samples in 2010-2011 from 40 ECE facilities serving children 6years old in California and applied new methods to evaluate cancer risk in young children. Formaldehyde and acetaldehyde were detected in 100% of samples. The median (max) indoor formaldehyde and acetaldehyde levels (g/m(3)) were 17.8 (48.8) and 7.5 (23.3), respectively, and were comparable to other California schools and homes. Formaldehyde and acetaldehyde concentrations were inversely associated with air exchange rates (Pearson r=-0.54 and -0.63, respectively; P<0.001). The buildings and furnishings were generally >5years old, suggesting other indoor sources. Formaldehyde levels exceeded California 8-h and chronic Reference Exposure Levels (both 9g/m(3)) for non-cancer effects in 87.5% of facilities. Acetaldehyde levels exceeded the U.S. EPA Reference Concentration in 30% of facilities. If reflective of long-term averages, estimated exposures would exceed age-adjusted safe harbor levels' based on California's Proposition 65 guidelines (10(-5) lifetime cancer risk). Additional research is needed to identify sources of formaldehyde and acetaldehyde and strategies to reduce indoor air levels. The impact of recent California and proposed U.S. EPA regulations to reduce formaldehyde levels in future construction should be assessed.
C1 [Bradman, A.; Gaspar, F.; Castorina, R.; Hoang, T.; McKone, T. E.] Univ Calif Berkeley, Sch Publ Hlth, CERCH, 1995 Univ Ave,Suite 265, Berkeley, CA 94704 USA.
[Williams, J.; Jenkins, P. L.] Calif Air Resources Board, Div Res, Sacramento, CA USA.
[McKone, T. E.; Maddalena, R.] Lawrence Berkeley Natl Lab, Berkeley, CA USA.
RP Bradman, A (reprint author), Univ Calif Berkeley, Sch Publ Hlth, CERCH, 1995 Univ Ave,Suite 265, Berkeley, CA 94704 USA.
EM abradman@berkeley.edu
FU California Air Resource Board (CARB) [08-305]
FX This research was supported by the California Air Resource Board (CARB),
Agreement Number 08-305. This manuscript is derived in part from a full
project report available from CARB (CARB, 2012). This work does not
necessarily reflect the opinion or official policy of the ARB. We thank
the ECE programs that participated in this study. We also thank Dr.
Martha Sandy of the Office of Environmental Health Hazard Assessment
(OEHHA) for reviewing risk evaluation methods and approaches to
incorporate age-specific sensitivity factors when evaluating OEHHA
NSRLs. Finally, we thank Dr. Qunfang Zhang for her comments on this
manuscript.
NR 58
TC 1
Z9 1
U1 12
U2 12
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0905-6947
EI 1600-0668
J9 INDOOR AIR
JI Indoor Air
PD JAN
PY 2017
VL 27
IS 1
BP 104
EP 113
DI 10.1111/ina.12283
PG 10
WC Construction & Building Technology; Engineering, Environmental; Public,
Environmental & Occupational Health
SC Construction & Building Technology; Engineering; Public, Environmental &
Occupational Health
GA EG4RY
UT WOS:000391032600010
PM 26804044
ER
PT J
AU Fisk, WJ
Chan, WR
AF Fisk, W. J.
Chan, W. R.
TI Health benefits and costs of filtration interventions that reduce indoor
exposure to PM2.5 during wildfires
SO INDOOR AIR
LA English
DT Article
DE Benefits; Costs; Health; Filtration; Wildfires; Homes
ID SOUTHERN CALIFORNIA WILDFIRES; PARTICULATE MATTER; SMOKE EXPOSURE;
AIR-POLLUTION; MITIGATION MEASURES; FOREST-FIRE; WOOD SMOKE; IMPACTS;
CLIMATE
AB Increases in hospital admissions and deaths are associated with increases in outdoor air particles during wildfires. This analysis estimates the health benefits expected if interventions had improved particle filtration in homes in Southern California during a 10-day period of wildfire smoke exposure. Economic benefits and intervention costs are also estimated. The six interventions implemented in all affected houses are projected to prevent 11% to 63% of the hospital admissions and 7% to 39% of the deaths attributable to wildfire particles. The fraction of the population with an admission attributable to wildfire smoke is small, thus, the costs of interventions in all homes far exceeds the economic benefits of reduced hospital admissions. However, the estimated economic value of the prevented deaths exceed or far exceed intervention costs for interventions that do not use portable air cleaners. For the interventions with portable air cleaner use, mortality-related economic benefits exceed intervention costs as long as the cost of the air cleaners, which have a multi-year life, are not attributed to the short wildfire period. Cost effectiveness is improved by intervening only in the homes of the elderly who experience most of the health effects of particles from wildfires.
C1 [Fisk, W. J.; Chan, W. R.] Lawrence Berkeley Natl Lab, Indoor Environm Grp, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
RP Fisk, WJ (reprint author), Lawrence Berkeley Natl Lab, Indoor Environm Grp, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM wjfisk@lbl.gov
FU Indoor Environments Division, Office of Radiation [DW-89-92337001];
Indoor Air of the US Environmental Protection Agency (EPA); US
Department of Energy [DE-AC02-05CH11231]
FX This study was funded through interagency agreement DW-89-92337001
between the Indoor Environments Division, Office of Radiation and Indoor
Air of the US Environmental Protection Agency (EPA) and the US
Department of Energy under contract DE-AC02-05CH11231. The author thanks
Greg Brunner for program management and review of a draft and Jenny
Logue and Laura Kolb for reviewing a draft of a document on which this
paper was based.
NR 34
TC 0
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U1 14
U2 14
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0905-6947
EI 1600-0668
J9 INDOOR AIR
JI Indoor Air
PD JAN
PY 2017
VL 27
IS 1
BP 191
EP 204
DI 10.1111/ina.12285
PG 14
WC Construction & Building Technology; Engineering, Environmental; Public,
Environmental & Occupational Health
SC Construction & Building Technology; Engineering; Public, Environmental &
Occupational Health
GA EG4RY
UT WOS:000391032600018
PM 26843218
ER
PT J
AU Bissell, MJ
AF Bissell, Mina J.
TI Goodbye flat biology - time for the 3rd and the 4th dimensions FOREWORD
SO JOURNAL OF CELL SCIENCE
LA English
DT Editorial Material
ID VIRUS-TRANSFORMED CELLS; BREAST EPITHELIAL-CELLS; GLUCOSE-METABOLISM;
BASEMENT-MEMBRANE; TISSUE-CULTURE; CHICK-CELLS; DISEASE;
DIFFERENTIATION; MORPHOGENESIS; ORGANOIDS
C1 [Bissell, Mina J.] Lawrence Berkeley Natl Lab, Div Biol Syst & Engn, One Cyclotron Rd,MS 977-225A, Berkeley, CA 94720 USA.
[Bissell, Mina J.] Univ Calif Berkeley, Grad Grp Comparat Biochem, Berkeley, CA 94708 USA.
[Bissell, Mina J.] Univ Calif Berkeley, Grad Grp Endocrinol, Berkeley, CA 94708 USA.
[Bissell, Mina J.] Univ Calif Berkeley, Grad Grp Mol Toxicol, Berkeley, CA 94708 USA.
[Bissell, Mina J.] Univ Calif Berkeley, Grad Grp Bioengn, Berkeley, CA 94708 USA.
RP Bissell, MJ (reprint author), Lawrence Berkeley Natl Lab, Div Biol Syst & Engn, One Cyclotron Rd,MS 977-225A, Berkeley, CA 94720 USA.; Bissell, MJ (reprint author), Univ Calif Berkeley, Grad Grp Comparat Biochem, Berkeley, CA 94708 USA.; Bissell, MJ (reprint author), Univ Calif Berkeley, Grad Grp Endocrinol, Berkeley, CA 94708 USA.; Bissell, MJ (reprint author), Univ Calif Berkeley, Grad Grp Mol Toxicol, Berkeley, CA 94708 USA.; Bissell, MJ (reprint author), Univ Calif Berkeley, Grad Grp Bioengn, Berkeley, CA 94708 USA.
EM mjbissell@lbl.gov
NR 20
TC 0
Z9 0
U1 3
U2 3
PU COMPANY OF BIOLOGISTS LTD
PI CAMBRIDGE
PA BIDDER BUILDING CAMBRIDGE COMMERCIAL PARK COWLEY RD, CAMBRIDGE CB4 4DL,
CAMBS, ENGLAND
SN 0021-9533
EI 1477-9137
J9 J CELL SCI
JI J. Cell Sci.
PD JAN 1
PY 2017
VL 130
IS 1
SI SI
BP 3
EP 5
DI 10.1242/jcs.200550
PG 3
WC Cell Biology
SC Cell Biology
GA EG5ST
UT WOS:000391105300002
PM 28043963
ER
PT J
AU Jorgens, DM
Inman, JL
Wojcik, M
Robertson, C
Palsdottir, H
Tsai, WT
Huang, H
Bruni-Cardoso, A
Lopez, CS
Bissell, MJ
Xu, K
Auer, M
AF Jorgens, Danielle M.
Inman, Jamie L.
Wojcik, Michal
Robertson, Claire
Palsdottir, Hildur
Tsai, Wen-Ting
Huang, Haina
Bruni-Cardoso, Alexandre
Lopez, Claudia S.
Bissell, Mina J.
Xu, Ke
Auer, Manfred
TI Deep nuclear invaginations are linked to cytoskeletal filaments -
integrated bioimaging of epithelial cells in 3D culture
SO JOURNAL OF CELL SCIENCE
LA English
DT Article
DE Integrated bioimaging; Cytoskeleton; Mechanotransduction; Human mammary
epithelial cells; Nucleoplasmic reticulum; Extracellular matrix
ID OPTICAL RECONSTRUCTION MICROSCOPY; EXTRACELLULAR-MATRIX; 3-DIMENSIONAL
CULTURE; FREEZE-SUBSTITUTION; GENE-EXPRESSION; ACTIN CYTOSKELETON;
CANCER PROGRESSION; BASEMENT-MEMBRANE; MAMMARY-GLAND; BREAST
AB The importance of context in regulation of gene expression is now an accepted principle; yet the mechanism by which the microenvironment communicates with the nucleus and chromatin in healthy tissues is poorly understood. A functional role for nuclear and cytoskeletal architecture is suggested by the phenotypic differences observed between epithelial and mesenchymal cells. Capitalizing on recent advances in cryogenic techniques, volume electron microscopy and super-resolution light microscopy, we studied human mammary epithelial cells in three-dimensional (3D) cultures forming growth-arrested acini. Intriguingly, we found deep nuclear invaginations and tunnels traversing the nucleus, encasing cytoskeletal actin and/or intermediate filaments, which connect to the outer nuclear envelope. The cytoskeleton is also connected both to other cells through desmosome adhesion complexes and to the extracellular matrix through hemidesmosomes. This finding supports a physical and/or mechanical link from the desmosomes and hemidesmosomes to the nucleus, which had previously been hypothesized but now is visualized for the first time. These unique structures, including the nuclear invaginations and the cytoskeletal connectivity to the cell nucleus, are consistent with a dynamic reciprocity between the nucleus and the outside of epithelial cells and tissues.
C1 [Jorgens, Danielle M.; Palsdottir, Hildur; Tsai, Wen-Ting; Xu, Ke; Auer, Manfred] Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, MS Donner, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Jorgens, Danielle M.; Lopez, Claudia S.] Oregon Hlth & Sci Univ, Dept Biomed Engn, 3181 Sam Jackson Pk Rd, Portland, OR 97239 USA.
[Inman, Jamie L.; Robertson, Claire; Bruni-Cardoso, Alexandre; Bissell, Mina J.] Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA.
[Wojcik, Michal; Huang, Haina; Xu, Ke] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Bruni-Cardoso, Alexandre] Univ Sao Paulo, Inst Quim, Dept Biochem, BR-05508000 Sao Paulo, Brazil.
RP Auer, M (reprint author), Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, MS Donner, 1 Cyclotron Rd, Berkeley, CA 94720 USA.; Bissell, MJ (reprint author), Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Berkeley, CA 94720 USA.
EM MJBissell@lbl.gov; MAuer@lbl.gov
OI Jorgens, Danielle/0000-0002-7143-0118; Xu, Ke/0000-0002-2788-194X
FU National Institutes of Health [P01GM051487, R01CA064786, U54CA143836l];
U.S. Department of Energy, Office of Biological and Environmental
Research [DE-AC02-05CH11231]; U.S. Department of Defense, Breast Cancer
Research Program; Breast Cancer Research Foundation; U.S. Department of
Defense [BC133875]; L'Oreal USA for Women in Science Program; National
Science Foundation [DGE 1106400]; School of Life Sciences, Peking
University; Pew Charitable Trusts Biomedical Scholars program
FX This research was supported by the National Institutes of Health
(P01GM051487 to M.A., R01CA064786 to M.J.B., U54CA143836l to M.J.B.);
the U.S. Department of Energy, Office of Biological and Environmental
Research (DE-AC02-05CH11231 to M.J.B.); the U.S. Department of Defense,
Breast Cancer Research Program (to M.J.B.); the Breast Cancer Research
Foundation (to M.J.B.); the U.S. Department of Defense (BC133875 to
C.R.); the L'Oreal USA for Women in Science Program (to C.R.); the
National Science Foundation Graduate Research Fellowship (DGE 1106400 to
M.W.); the School of Life Sciences, Peking University (to H.H.); and the
Pew Charitable Trusts Biomedical Scholars program (to K.X.). Deposited
in PMC for release after 12 months.
NR 65
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PU COMPANY OF BIOLOGISTS LTD
PI CAMBRIDGE
PA BIDDER BUILDING CAMBRIDGE COMMERCIAL PARK COWLEY RD, CAMBRIDGE CB4 4DL,
CAMBS, ENGLAND
SN 0021-9533
EI 1477-9137
J9 J CELL SCI
JI J. Cell Sci.
PD JAN 1
PY 2017
VL 130
IS 1
SI SI
BP 177
EP 189
DI 10.1242/jcs.190967
PG 13
WC Cell Biology
SC Cell Biology
GA EG5ST
UT WOS:000391105300021
PM 27505896
ER
PT J
AU Weber, TJ
Smith, JN
Carver, ZA
Timchalk, C
AF Weber, Thomas J.
Smith, Jordan N.
Carver, Zana A.
Timchalk, Charles
TI Non-invasive saliva human biomonitoring: development of an in vitro
platform
SO JOURNAL OF EXPOSURE SCIENCE AND ENVIRONMENTAL EPIDEMIOLOGY
LA English
DT Article
DE biomonitoring; pesticides; salivary gland; tight junction
ID OF-THE-ART; RAT SALIVA; EXPOSURE ASSESSMENT; CHLORPYRIFOS; CELLS;
3,5,6-TRICHLORO-2-PYRIDINOL; ACTIVATION; BARRIER; MODEL; TIGHT
AB Direct measurements of exposure represent the most accurate assessment of a subject's true exposure. The clearance of many drugs and chemicals, including pesticides such as chlorpyrifos (CPF), can be detected non-invasively in saliva. Here we have developed a serous-acinar transwell model system as an in vitro screening platform to prioritize chemicals for non-invasive biomonitoring through salivary clearance mechanisms. Rat primary serous-acinar cells express both alpha-amylase and aquaporin-5 proteins and develop significant tight junctions at postconfluence a feature necessary for chemical transport studies in vitro. CPF exhibited bidirectional passage across the serous-acinar barrier that was disproportional to the passage of a cell impermeable chemical (lucifer yellow), consistent with a hypothesized passive diffusion process. CPF was metabolized to trichlorpyridinol (TCPy) by serous-acinar cells, and TCPy also displayed bidirectional diffusion in the transwell assay. This model system should prove useful as an in vitro screening platform to support the non-invasive monitoring of toxicons and pharmacons in human saliva and provide guidance for development of advanced in vitro screening platforms utilizing primary human salivary gland epithelial cells.
C1 [Weber, Thomas J.; Smith, Jordan N.; Carver, Zana A.; Timchalk, Charles] Pacific Northwest Natl Lab, Hlth Impacts & Exposure Sci Grp, 902 Battelle Blvd,790 6th St,J4-02, Richland, WA 99354 USA.
RP Weber, TJ (reprint author), Pacific Northwest Natl Lab, Hlth Impacts & Exposure Sci Grp, 902 Battelle Blvd,790 6th St,J4-02, Richland, WA 99354 USA.
EM Thomas.Weber@pnnl.gov
FU CDC/NIOSH [RO1 OH008173-06]
FX This work was supported by a grant from the CDC/NIOSH (RO1 OH008173-06).
Chlorpyrifos and its major metabolite trichlorpyridinol (TCPy) were
kindly provided by the Dow Chemical Company (Midland, MI, USA).
NR 43
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U1 4
U2 4
PU NATURE PUBLISHING GROUP
PI NEW YORK
PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA
SN 1559-0631
EI 1559-064X
J9 J EXPO SCI ENV EPID
JI J. Expo. Sci. Environ. Epidemiol.
PD JAN-FEB
PY 2017
VL 27
IS 1
BP 72
EP 77
DI 10.1038/jes.2015.74
PG 6
WC Environmental Sciences; Public, Environmental & Occupational Health;
Toxicology
SC Environmental Sciences & Ecology; Public, Environmental & Occupational
Health; Toxicology
GA EG5KH
UT WOS:000391082200010
PM 26555474
ER
PT J
AU Luscher, DJ
Addessio, FL
Cawkwell, MJ
Ramos, KJ
AF Luscher, D. J.
Addessio, F. L.
Cawkwell, M. J.
Ramos, K. J.
TI A dislocation density-based continuum model of the anisotropic shock
response of single crystal alpha-cyclotrimethylene trinitramine
SO JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
LA English
DT Article
DE Crystal plasticity; Dislocations; RDX; Shock loading
ID RDX EXPLOSIVE CRYSTALS; CONSTITUTIVE MODEL; PENTAERYTHRITOL
TETRANITRATE; CRYSTALLOGRAPHIC TEXTURE; FCC METALS; ENERGETIC MATERIALS;
LOADING CONDITIONS; PLASTICITY; DEFORMATION; DEFECT
AB We have developed a model for the finite deformation thermomechanical response of alpha-cyclotrimethylene trinitramine (RDX). Our model accounts for nonlinear thermoelastic lattice deformation through a free energy-based equation of state developed by Cawlcwell et al. (2016) in combination with temperature and pressure dependent elastic constants, as well as dislocation-mediated plastic slip on a set of slip systems motivated by experimental observation. The kinetics of crystal plasticity are modeled using the rowan equation relating slip rate to dislocation density and the dislocation velocity developed by Austin and McDowell (2011), which naturally accounts for transition from thermally activated to dislocation drag limited regimes. Evolution of dislocation density is specified in terms of local ordinary differential equations reflecting dislocation-dislocation interactions.
This paper presents details of the theory and parameterization of the model, followed by discussion of simulations of flyer plate impact experiments. Impact conditions explored within this combined simulation and experimental effort span shock pressures ranging from 1 to 3 GPa for four crystallographic orientations and multiple specimen thicknesses. Simulation results generated using this model are shown to be in strong agreement with velocimetry measurements from the corresponding plate impact experiments. Finally, simulation results are used to motivate conclusions about the nature of dislocation-mediated plasticity in RDX. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Luscher, D. J.; Addessio, F. L.; Cawkwell, M. J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Ramos, K. J.] Los Alamos Natl Lab, Explos Sci & Shock Phys Div, Los Alamos, NM 87545 USA.
RP Luscher, DJ (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
FU U.S. Department of Energy [DE-AC52-06NA25396]; Laboratory Directed
Research and Development (LDRD) program's Exploratory Research project
targeting Materials in Extreme Environments [ER20140643]
FX This work was performed under the auspices of the U.S. Department of
Energy under contract DE-AC52-06NA25396. In particular, the authors are
grateful for the support of the Laboratory Directed Research and
Development (LDRD) program's Exploratory Research project (ER20140643)
targeting Materials in Extreme Environments. The authors are grateful
for discussions of dislocation kinetics and interactions with J. Mayeur.
NR 67
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PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0022-5096
EI 1873-4782
J9 J MECH PHYS SOLIDS
JI J. Mech. Phys. Solids
PD JAN
PY 2017
VL 98
BP 63
EP 86
DI 10.1016/j.jmps.2016.09.005
PG 24
WC Materials Science, Multidisciplinary; Mechanics; Physics, Condensed
Matter
SC Materials Science; Mechanics; Physics
GA EG3VN
UT WOS:000390972900004
ER
PT J
AU Finnell, J
AF Finnell, Joshua
TI 4321
SO LIBRARY JOURNAL
LA English
DT Book Review
C1 [Finnell, Joshua] Los Alamos Natl Lab, Los Alamos, NM 87544 USA.
RP Finnell, J (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87544 USA.
NR 1
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U1 0
U2 0
PU REED BUSINESS INFORMATION
PI NEW YORK
PA 360 PARK AVENUE SOUTH, NEW YORK, NY 10010 USA
SN 0363-0277
J9 LIBR J
JI Libr. J.
PD JAN
PY 2017
VL 142
IS 1
BP 84
EP 84
PG 1
WC Information Science & Library Science
SC Information Science & Library Science
GA EG4AM
UT WOS:000390985800075
ER
PT J
AU Uphoff, H
AF Uphoff, Heidi
TI The Book Thieves: The Nazi Looting of Europe's Libraries and the Race To
Return a Literary Inheritance
SO LIBRARY JOURNAL
LA English
DT Book Review
C1 [Uphoff, Heidi] Sandia Natl Labs, Livermore, CA 94550 USA.
RP Uphoff, H (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA.
NR 1
TC 0
Z9 0
U1 0
U2 0
PU REED BUSINESS INFORMATION
PI NEW YORK
PA 360 PARK AVENUE SOUTH, NEW YORK, NY 10010 USA
SN 0363-0277
J9 LIBR J
JI Libr. J.
PD JAN
PY 2017
VL 142
IS 1
BP 113
EP 113
PG 1
WC Information Science & Library Science
SC Information Science & Library Science
GA EG4AM
UT WOS:000390985800237
ER
PT J
AU Adamova, D
Agakichiev, G
Andronic, A
Antonczyk, D
Appelshauser, H
Belaga, V
Bielcikova, J
Braun-Munzinger, P
Busch, O
Cherlin, A
Damjanovic, S
Dietel, T
Dietrich, L
Drees, A
Dubitzky, W
Esumi, SI
Filimonov, K
Fomenko, K
Fraenkel, Z
Garabatos, C
Glassel, P
Hering, G
Holeczek, J
Kalisky, M
Karpenko, I
Krobath, G
Kushpil, V
Maas, A
Marin, A
Milosevic, J
Miskowiec, D
Panebrattsev, Y
Petchenova, O
Petracek, V
Radomski, S
Rak, J
Ravinovich, I
Rehak, P
Sako, H
Schmitz, W
Schuchmann, S
Sedykh, S
Shimansky, S
Stachel, J
Sumbera, M
Tilsner, H
Tserruya, I
Tsiledakis, G
Wessels, JP
Wienold, T
Wurm, JP
Yurevich, S
Yurevich, V
AF Adamova, D.
Agakichiev, G.
Andronic, A.
Antonczyk, D.
Appelshaeuser, H.
Belaga, V.
Bielcikova, J.
Braun-Munzinger, P.
Busch, O.
Cherlin, A.
Damjanovic, S.
Dietel, T.
Dietrich, L.
Drees, A.
Dubitzky, W.
Esumi, S. I.
Filimonov, K.
Fomenko, K.
Fraenkel, Z.
Garabatos, C.
Glaessel, P.
Hering, G.
Holeczek, J.
Kalisky, M.
Karpenko, Iu.
Krobath, G.
Kushpil, V.
Maas, A.
Marin, A.
Milosevic, J.
Miskowiec, D.
Panebrattsev, Y.
Petchenova, O.
Petracek, V.
Radomski, S.
Rak, J.
Ravinovich, I.
Rehak, P.
Sako, H.
Schmitz, W.
Schuchmann, S.
Sedykh, S.
Shimansky, S.
Stachel, J.
Sumbera, M.
Tilsner, H.
Tserruya, I.
Tsiledakis, G.
Wessels, J. P.
Wienold, T.
Wurm, J. P.
Yurevich, S.
Yurevich, V.
TI Triangular flow of negative pions emitted in PbAu collisions at root
s(NN)=17.3 GeV
SO NUCLEAR PHYSICS A
LA English
DT Article
DE Triangular flow; SPS; Heavy-ion
ID HEAVY-ION COLLISIONS; PLUS AU COLLISIONS; ELLIPTIC FLOW; COLLECTIVE
FLOW; BEAM ENERGY; DEPENDENCE; CENTRALITY; ANISOTROPY; MODELS
AB Differential triangular flow, v(3)(p(T)), of negative pions is measured at root s(NN) = 17.3 GeV around midrapidity by the CERES/NA45 experiment at CERN in central PbAu collisions in the range 0-30% with a mean centrality of 5.5%. This is the first measurement as a function of transverse momentum of the triangular flow at SPS energies. The p(T) range extends from about 0.05 GeV/c to more than 2 GeV/c. The triangular flow magnitude, corrected for the HBT effects, is smaller by a factor of about 2 than the one measured by the PHENIX experiment at RHIC and the ALICE experiment at the LHC. Within the analyzed range of central collisions no significant centrality dependence is observed. The data are found to be well described by a viscous hydrodynamic calculation combined with an UrQMD cascade model for the late stages. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Adamova, D.; Bielcikova, J.; Kushpil, V.; Sumbera, M.] Acad Sci Czech Republic, Inst Nucl Phys, Rez 25068, Czech Republic.
[Agakichiev, G.; Belaga, V.; Fomenko, K.; Panebrattsev, Y.; Petchenova, O.; Shimansky, S.; Yurevich, V.] Joint Inst Nucl Res, Dubna 141980, Moscow Region, Russia.
[Andronic, A.; Braun-Munzinger, P.; Garabatos, C.; Hering, G.; Holeczek, J.; Kalisky, M.; Maas, A.; Marin, A.; Miskowiec, D.; Radomski, S.; Rak, J.; Sako, H.; Sedykh, S.; Tsiledakis, G.; Yurevich, S.] GSI Darmstadt, Inst Kernphys, D-64291 Darmstadt, Germany.
[Antonczyk, D.; Appelshaeuser, H.; Schuchmann, S.] Goethe Univ Frankfurt, Inst Kernphys, D-60438 Frankfurt, Germany.
[Bielcikova, J.; Wurm, J. P.] Max Planck Inst Kernphys, D-69117 Heidelberg, Germany.
[Bielcikova, J.; Busch, O.; Damjanovic, S.; Dietrich, L.; Dubitzky, W.; Esumi, S. I.; Filimonov, K.; Glaessel, P.; Krobath, G.; Milosevic, J.; Petracek, V.; Schmitz, W.; Stachel, J.; Tilsner, H.; Wienold, T.; Yurevich, S.] Heidelberg Univ, Inst Phys, D-69120 Heidelberg, Germany.
[Cherlin, A.; Fraenkel, Z.; Ravinovich, I.; Tserruya, I.] Weizmann Inst Sci, Dept Particle Phys, IL-76100 Rehovot, Israel.
[Dietel, T.; Wessels, J. P.] Univ Munster, Inst Kernphys, D-48149 Munster, Germany.
[Drees, A.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11974 USA.
[Rehak, P.] Brookhaven Natl Lab, Instrumentat Div, Upton, NY 11973 USA.
[Karpenko, Iu.] Frankfurt Inst Adv Studies, Ruth Moufang Str 1, D-60438 Frankfurt, Germany.
[Agakichiev, G.] Justus Liebig Univ, Inst Phys 2, D-35392 Giessen, Germany.
[Andronic, A.; Braun-Munzinger, P.; Marin, A.; Miskowiec, D.] GSI Helmholtzzentrum Schwerionenforsch, Div Res, D-64291 Darmstadt, Germany.
[Andronic, A.; Braun-Munzinger, P.; Marin, A.; Miskowiec, D.] GSI Helmholtzzentrum Schwerionenforsch, Extreme Matter Inst EMMI, D-64291 Darmstadt, Germany.
[Esumi, S. I.] Univ Tsukuba, Inst Phys, Tsukuba, Ibaraki, Japan.
[Filimonov, K.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Milosevic, J.] Univ Belgrade, Fac Phys, Belgrade 11001, Serbia.
[Milosevic, J.] Univ Belgrade, Vinca Inst Nucl Sci, Belgrade 11001, Serbia.
[Petracek, V.] Czech Tech Univ, Fac Nucl Sci & Engn, Prague 16636, Czech Republic.
[Rak, J.] Univ Jyvaskyla, Dept Phys, Jyvaskyla, Finland.
[Dietel, T.] Univ Cape Town, Dept Phys, ZA-7701 Rondebosch, South Africa.
[Karpenko, Iu.] Ist Nazl Fis Nucl, Sez Firenze, Via G Sansone 1, I-50019 Florence, Italy.
RP Milosevic, J (reprint author), Heidelberg Univ, Inst Phys, D-69120 Heidelberg, Germany.; Milosevic, J (reprint author), Univ Belgrade, Fac Phys, Belgrade 11001, Serbia.; Milosevic, J (reprint author), Univ Belgrade, Vinca Inst Nucl Sci, Belgrade 11001, Serbia.
EM Jovan.Milosevic@cern.ch
FU Ministry of Education, Science and Technological Development of the
Republic of Serbia [171019]
FX We are grateful to Pasi Huovinen for his guidance concerning the
hydrodynamical calculations to be compared to SPS data and appreciate
his critical reading of the manuscript concerning the applied
hydrosolver+UrQMD model. We acknowledge the support by the Ministry of
Education, Science and Technological Development of the Republic of
Serbia throughout the project 171019.
NR 44
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U1 9
U2 9
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0375-9474
EI 1873-1554
J9 NUCL PHYS A
JI Nucl. Phys. A
PD JAN
PY 2017
VL 957
BP 99
EP 108
DI 10.1016/j.nuclphysa.2016.08.002
PG 10
WC Physics, Nuclear
SC Physics
GA EG1YP
UT WOS:000390830600008
ER
PT J
AU McLerran, L
Skokov, VV
AF McLerran, Larry
Skokov, Vladimir V.
TI The MV model of the color glass condensate for a finite number of
sources including Coulomb interactions
SO NUCLEAR PHYSICS A
LA English
DT Article
DE CGC; High energy heavy-ion collisions
ID GLUON DISTRIBUTION-FUNCTIONS; LARGE NUCLEI; P PLUS; COLLISIONS;
ASYMMETRIES; EVOLUTION
AB We modify the McLerran-Venugopalan model to include only a finite number of sources of color charge. In the effective action for such a system of a finite number of sources, there is a point-like interaction and a Coulombic interaction. The point interaction generates the standard fluctuation term in the McLerran-Venugopalan model. The Coulomb interaction generates the charge screening originating from well known evolution in x. Such a model may be useful for computing angular harmonics of flow measured in high energy hadron collisions for small systems. In this paper we provide a basic formulation of the problem on a lattice. (C) 2016 Elsevier B.V. All rights reserved.
C1 [McLerran, Larry] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
[Skokov, Vladimir V.] Brookhaven Natl Lab, RIKEN BNL, Upton, NY 11973 USA.
[McLerran, Larry] Cent China Normal Univ, Dept Phys, Wuhan, Peoples R China.
[McLerran, Larry] Univ Washington, Inst Nucl Theory, Seattle, WA 98195 USA.
RP Skokov, VV (reprint author), Brookhaven Natl Lab, RIKEN BNL, Upton, NY 11973 USA.
EM vvskokov@bnl.gov
FU Department of Energy [DE-SC0012704]
FX The authors are supported under Department of Energy contract number
Contract No. DE-SC0012704.
NR 17
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U1 1
U2 1
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0375-9474
EI 1873-1554
J9 NUCL PHYS A
JI Nucl. Phys. A
PD JAN
PY 2017
VL 957
BP 230
EP 239
DI 10.1016/j.nuclphysa.2016.09.004
PG 10
WC Physics, Nuclear
SC Physics
GA EG1YP
UT WOS:000390830600018
ER
PT J
AU Madland, DG
Kahler, AC
AF Madland, D. G.
Kahler, A. C.
TI Refinements in the Los Alamos model of the prompt fission neutron
spectrum
SO NUCLEAR PHYSICS A
LA English
DT Article
DE Prompt fission neutron spectrum in spontaneous and neutron-induced
fission calculated with refined Los Alamos model and compared with
experiment
ID NUCLEAR-REACTIONS; FRAGMENTS; ENERGY
AB This paper presents a number of refinements to the original Los Alamos model of the prompt fission neutron spectrum and average prompt neutron multiplicity as derived in 1982. The four refinements are due to new measurements of the spectrum and related fission observables many of which were not available in 1982. They are also due to a number of detailed studies and comparisons of the model with previous and present experimental results including not only the differential spectrum, but also integral cross sections measured in the field of the differential spectrum. The four refinements are (a) separate neutron contributions in binary fission, (b) departure from statistical equilibrium at scission, (c) fission-fragment nuclear level-density models, and (d) center-of-mass anisotropy. With these refinements, for the first time, good agreement has been obtained for both differential and integral measurements using the same Los Alamos model spectrum. (C) 2016 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
C1 [Madland, D. G.; Kahler, A. C.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RP Madland, DG (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM dgm@lanl.gov
FU U.S. Department of Energy [DE-AC5206NA25396]
FX We are grateful to E. Blain, F.-J. Hambsch, N. Kornilov, and A. Vorobyev
for providing us with their experimental results and pertinent
communications regarding these results; to W. Mannhart for several
communications regarding the evaluation of measured integral cross
sections and the model-dependent calculation of integral cross sections;
to P. Talou for extracting nuclear level-density parameters from the
RIPL parameter library; and to R. Haight, A.J. Sierk, P. Moller, and J.
Randrup for stimulating discussions. This work was supported by the U.S.
Department of Energy (grant no. DE-AC5206NA25396).
NR 37
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PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0375-9474
EI 1873-1554
J9 NUCL PHYS A
JI Nucl. Phys. A
PD JAN
PY 2017
VL 957
BP 289
EP 311
DI 10.1016/j.nuclphysa.2016.09.005
PG 23
WC Physics, Nuclear
SC Physics
GA EG1YP
UT WOS:000390830600022
ER
PT J
AU Anderson-Cook, CM
AF Anderson-Cook, Christine M.
TI Optimizing in a complex world: A statistician's role in decision making
SO QUALITY ENGINEERING
LA English
DT Article
DE desirability functions; DMRCS; multiple objectives; Pareto front
ID PARETO FRONT OPTIMIZATION; RESPONSE-SURFACE DESIGN; MULTIPLE CRITERIA;
VARIABILITY; RELIABILITY; MODEL
AB As applied statisticians increasingly participate as active members of problem-solving and decision-making teams, our role continues to evolve. Historically, we may have been seen as those who can help with data collection strategies or answer a specific question from a set of data. Nowadays, we are, or strive to be, more deeply involved throughout the entire problem-solving process. An emerging role is to provide a set of leading choices from which subject matter experts and managers can choose to make informed decisions. A key to success is to provide vehicles for understanding the trade-offs between candidates and interpreting the merits of each choice in the context of the decision makers' priorities. To achieve this objective, it is helpful to be able (a) to help subject matter experts identify quantitative criteria that match their priorities, (b) eliminate non-competitive choices through the use of a Pareto front, and (c) provide summary tools from which the trade-offs between alternatives can be quantitatively evaluated and discussed. A structured but flexible process for contributing to team decisions is described for situations when all choices can easily be enumerated as well as when a search algorithm to explore a vast number of potential candidates is required. A collection of diverse examples ranging from model selection, through multiple response optimization, and designing an experiment illustrate the approach.
C1 [Anderson-Cook, Christine M.] Los Alamos Natl Lab, Stat Sci Grp, POB 1663,MS F660, Los Alamos, NM 87545 USA.
RP Anderson-Cook, CM (reprint author), Los Alamos Natl Lab, Stat Sci Grp, POB 1663,MS F660, Los Alamos, NM 87545 USA.
EM candcook@lanl.gov
NR 36
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PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0898-2112
EI 1532-4222
J9 QUAL ENG
JI Qual. Eng.
PY 2017
VL 29
IS 1
BP 27
EP 41
DI 10.1080/08982112.2016.1217120
PG 15
WC Engineering, Industrial; Statistics & Probability
SC Engineering; Mathematics
GA EG2SR
UT WOS:000390894900006
ER
PT J
AU Anderson-Cook, CM
AF Anderson-Cook, Christine M.
TI Rejoinder
SO QUALITY ENGINEERING
LA English
DT Editorial Material
C1 [Anderson-Cook, Christine M.] Los Alamos Natl Lab, Stat Sci Grp, POB 1663,MS F600, Los Alamos, NM 87545 USA.
RP Anderson-Cook, CM (reprint author), Los Alamos Natl Lab, Stat Sci Grp, POB 1663,MS F600, Los Alamos, NM 87545 USA.
EM candcook@lanl.gov
NR 3
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U1 2
U2 2
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0898-2112
EI 1532-4222
J9 QUAL ENG
JI Qual. Eng.
PY 2017
VL 29
IS 1
BP 54
EP 56
DI 10.1080/08982112.2016.1219545
PG 3
WC Engineering, Industrial; Statistics & Probability
SC Engineering; Mathematics
GA EG2SR
UT WOS:000390894900011
ER
PT J
AU Mills-Davies, N
Butler, D
Norton, E
Thompson, D
Sarwar, M
Guo, J
Gill, R
Azim, N
Coker, A
Wood, SP
Erskine, PT
Coates, L
Cooper, JB
Rashid, N
Akhtar, M
Shoolingin-Jordan, PM
AF Mills-Davies, N.
Butler, D.
Norton, E.
Thompson, D.
Sarwar, M.
Guo, J.
Gill, R.
Azim, N.
Coker, A.
Wood, S. P.
Erskine, P. T.
Coates, L.
Cooper, J. B.
Rashid, N.
Akhtar, M.
Shoolingin-Jordan, P. M.
TI Structural studies of substrate and product complexes of
5-aminolaevulinic acid dehydratase from humans, Escherichia coli and the
hyperthermophile Pyrobaculum calidifontis
SO ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY
LA English
DT Article
DE tetrapyrrole biosynthesis; chlorophyll; haem; 5-aminolaevulinic acid
dehydratase; porphobilinogen synthase; protein crystallization; X-ray
structure; TIM-barrel fold; thermostability; product complex
ID X-RAY-STRUCTURE; DELTA-AMINOLEVULINIC-ACID; HUMAN PORPHOBILINOGEN
SYNTHASE; METAL-BINDING DOMAIN; 280000-DALTON PROTEIN; TETRAPYRROLE
BIOSYNTHESIS; STRUCTURE VALIDATION; ANGSTROM RESOLUTION; CATALYZED
REACTION; HUMAN-ERYTHROCYTES
AB A number of X-ray analyses of an enzyme involved in a key early stage of tetrapyrrole biosynthesis are reported. Two structures of human 5-aminolaevulinate dehydratase (ALAD), native and recombinant, have been determined at 2.8 angstrom resolution, showing that the enzyme adopts an octameric quaternary structure in accord with previously published analyses of the enzyme from a range of other species. However, this is in contrast to the finding that a diseaserelated F12L mutant of the human enzyme uniquely forms hexamers [Breinig et al. (2003), Nature Struct. Biol. 10, 757-763]. Monomers of all ALADs adopt the TIM-barrel fold; the subunit conformation that assembles into the octamer includes the N-terminal tail of one monomer curled around the (alpha/beta)(8) barrel of a neighbouring monomer. Both crystal forms of the human enzyme possess two monomers per asymmetric unit, termed A and B. In the native enzyme there are a number of distinct structural differences between the A and B monomers, with the latter exhibiting greater disorder in a number of loop regions and in the active site. In contrast, the second monomer of the recombinant enzyme appears to be better defined and the active site of both monomers clearly possesses a zinc ion which is bound by three conserved cysteine residues. In native human ALAD, the A monomer also has a ligand resembling the substrate ALAwhich is covalently bound by a Schiff base to one of the active-site lysines (Lys252) and is held in place by an ordered active-site loop. In contrast, these features of the active-site structure are disordered or absent in the B subunit of the native human enzyme. The octameric structure of the zinc-dependent ALAD from the hyperthermophile Pyrobaculum calidifontis is also reported at a somewhat lower resolution of 3.5 angstrom. Finally, the details are presented of a high-resolution structure of the Escherichia coli ALAD enzyme co-crystallized with a noncovalently bound moiety of the product, porphobilinogen (PBG). This structure reveals that the pyrrole side-chain amino group is datively bound to the active-site zinc ion and that the PBG carboxylates interact with the enzyme via hydrogen bonds and salt bridges with invariant residues. A number of hydrogen-bond interactions that were previously observed in the structure of yeast ALAD with a cyclic intermediate resembling the product PBG appear to be weaker in the new structure, suggesting that these interactions are only optimal in the transition state.
C1 [Mills-Davies, N.; Butler, D.; Norton, E.; Thompson, D.; Sarwar, M.; Shoolingin-Jordan, P. M.] Univ Southampton, Sch Biol Sci, Southampton SO16 1BJ, England.
[Guo, J.; Gill, R.; Coker, A.; Wood, S. P.; Erskine, P. T.; Cooper, J. B.] UCL, Div Med, Wolfson Inst Biomed Res, Lab Prot Crystallog,Drug Discovery Grp, London WC1E 6BT, England.
[Azim, N.; Rashid, N.; Akhtar, M.] Univ Punjab, Sch Biol Sci, Lahore 54590, Pakistan.
[Erskine, P. T.; Cooper, J. B.] Univ London, Dept Biol Sci, Malet St, London WC1E 7HX, England.
[Coates, L.] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA.
RP Cooper, JB (reprint author), UCL, Div Med, Wolfson Inst Biomed Res, Lab Prot Crystallog,Drug Discovery Grp, London WC1E 6BT, England.; Cooper, JB (reprint author), Univ London, Dept Biol Sci, Malet St, London WC1E 7HX, England.
EM jon.cooper@ucl.ac.uk
OI Coker, Alun/0000-0001-7385-0143; Guo, Jingxu/0000-0002-1568-4842
FU UK Biotechnology and Biological Sciences Research Council (BBSRC)
FX Parts of this work have been funded in the past by the UK Biotechnology
and Biological Sciences Research Council (BBSRC). We gratefully
acknowledge the UK Science and Technology Facilities Council (STFC), the
European Molecular Biology Laboratory at the Deutsches
Elektronen-Synchrotron (DESY), Hamburg and the European Synchrotron
Radiation Facility (ESRF), Grenoble for synchrotron beam time and
associated user support. We are very grateful to the anonymous referee
who contributed some rewritten paragraphs to the revised manuscript.
NR 82
TC 0
Z9 0
U1 1
U2 1
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 2059-7983
J9 ACTA CRYSTALLOGR D
JI Acta Crystallogr. Sect. D-Struct. Biol.
PD JAN
PY 2017
VL 73
BP 9
EP 21
DI 10.1107/S2059798316019525
PN 1
PG 13
WC Biochemical Research Methods; Biochemistry & Molecular Biology;
Biophysics; Crystallography
SC Biochemistry & Molecular Biology; Biophysics; Crystallography
GA EF8GG
UT WOS:000390566600002
PM 28045381
ER
PT J
AU Zheng, M
Reimers, JR
Waller, MP
Afonine, PV
AF Zheng, Min
Reimers, Jeffrey R.
Waller, Mark P.
Afonine, Pavel V.
TI Q vertical bar R: quantum-based refinement
SO ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY
LA English
DT Article
DE quantum refinement; structural biology; X-ray diffraction; neutron
diffraction; cryo-EM; cctbx; Q|R
ID CRYSTALLOGRAPHIC STRUCTURE REFINEMENT; MOLECULAR-MECHANICS CALCULATIONS;
PROTEIN CRYSTAL-STRUCTURES; MACROMOLECULAR REFINEMENT; ENERGY
RESTRAINTS; LONDON-DISPERSION; DATA-BANK; CRYO-EM; OPTIMIZATION;
RESOLUTION
AB Quantum-based refinement utilizes chemical restraints derived from quantum-chemical methods instead of the standard parameterized library-based restraints used in refinement packages. The motivation is twofold: firstly, the restraints have the potential to be more accurate, and secondly, the restraints can be more easily applied to new molecules such as drugs or novel cofactors. Here, a new project called Q| R aimed at developing quantum-based refinement of biomacromolecules is under active development by researchers at Shanghai University together with PHENIX developers. The central focus of this longterm project is to develop software that is built on top of open-source components. A development version of Q|R was used to compare quantumbased refinements with standard refinement using a small model system.
C1 [Zheng, Min; Reimers, Jeffrey R.; Waller, Mark P.; Afonine, Pavel V.] Shanghai Univ, Dept Phys, Shanghai 200444, Peoples R China.
[Zheng, Min; Reimers, Jeffrey R.; Waller, Mark P.; Afonine, Pavel V.] Shanghai Univ, Int Ctr Quantum & Mol Struct, Shanghai 200444, Peoples R China.
[Zheng, Min; Waller, Mark P.] Westfal Wilhelms Univ Munster, Theoret Organ Chem, Organisch Chem Inst, Corrensstr 40, D-48149 Munster, Germany.
[Zheng, Min; Waller, Mark P.] Westfal Wilhelms Univ Munster, Ctr Multiscale Theory & Computat, Corrensstr 40, D-48149 Munster, Germany.
[Reimers, Jeffrey R.] Univ Technol Sydney, Sch Math & Phys Sci, Sydney, NSW 2007, Australia.
[Afonine, Pavel V.] Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, Berkeley, CA 94720 USA.
RP Waller, MP; Afonine, PV (reprint author), Shanghai Univ, Dept Phys, Shanghai 200444, Peoples R China.; Waller, MP; Afonine, PV (reprint author), Shanghai Univ, Int Ctr Quantum & Mol Struct, Shanghai 200444, Peoples R China.; Waller, MP (reprint author), Westfal Wilhelms Univ Munster, Theoret Organ Chem, Organisch Chem Inst, Corrensstr 40, D-48149 Munster, Germany.; Waller, MP (reprint author), Westfal Wilhelms Univ Munster, Ctr Multiscale Theory & Computat, Corrensstr 40, D-48149 Munster, Germany.; Afonine, PV (reprint author), Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, Berkeley, CA 94720 USA.
EM waller@shu.edu.cn; pafonine@lbl.gov
FU Deutsche Forschungsgemeinschaft (DFG) [SFB858]; Shanghai Eastern Scholar
Program; NIH [GM063210]; ICQMS
FX MZ and MPW would like to acknowledge financial support from the Deutsche
Forschungsgemeinschaft (DFG) for funding from the SFB858 project. MPW
would like to acknowledge support from the Shanghai Eastern Scholar
Program. PVA thanks the NIH (grant GM063210) and the PHENIX Industrial
Consortium. PyMOL (http://www.pymol.org) was used for molecular
graphics. ICQMS is gratefully acknowledged for support.
NR 58
TC 0
Z9 0
U1 1
U2 1
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 2059-7983
J9 ACTA CRYSTALLOGR D
JI Acta Crystallogr. Sect. D-Struct. Biol.
PD JAN
PY 2017
VL 73
BP 45
EP 52
DI 10.1107/S2059798316019847
PN 1
PG 8
WC Biochemical Research Methods; Biochemistry & Molecular Biology;
Biophysics; Crystallography
SC Biochemistry & Molecular Biology; Biophysics; Crystallography
GA EF8GG
UT WOS:000390566600005
PM 28045384
ER
PT S
AU Raybourn, EM
AF Raybourn, Elaine M.
BE Schatz, S
Hoffman, M
TI Toward Culturally-Aware, Next Generation Learning Ecosystems
SO ADVANCES IN CROSS-CULTURAL DECISION MAKING
SE Advances in Intelligent Systems and Computing
LA English
DT Proceedings Paper
CT International Conference on Cross-Cultural Decision Making (CCDM)
CY JUL 27-31, 2016
CL FL
DE Transmedia learning; Ecosystems; Intercultural communication
AB Next generation learning ecosystems will be comprised of intelligent, adaptive environments that utilize one's cultural footprints to co-create shared narratives and facilitate intercultural understanding. The present paper discusses why digital footprints, cultural signposts, intercultural agents, and transmedia learning are needed to realize relevant learning in virtual environments. The paper introduces notions that may impact the design of culturally-aware information technology for distributed learning are presented.
C1 [Raybourn, Elaine M.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
RP Raybourn, EM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM emraybo@sandia.gov
NR 12
TC 0
Z9 0
U1 2
U2 2
PU SPRINGER INT PUBLISHING AG
PI CHAM
PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND
SN 2194-5357
BN 978-3-319-41636-6; 978-3-319-41635-9
J9 ADV INTELL SYST
PY 2017
VL 480
BP 173
EP 181
DI 10.1007/978-3-319-41636-6_14
PG 9
WC Computer Science, Artificial Intelligence
SC Computer Science
GA BG6RM
UT WOS:000390837000014
ER
PT S
AU Hahn, HA
AF Hahn, Heidi Ann
BE Schatz, S
Hoffman, M
TI The Conundrum of Verification and Validation of Social Science-Based
Models Redux
SO ADVANCES IN CROSS-CULTURAL DECISION MAKING
SE Advances in Intelligent Systems and Computing
LA English
DT Proceedings Paper
CT International Conference on Cross-Cultural Decision Making (CCDM)
CY JUL 27-31, 2016
CL FL
DE Verification and validation; Social Science-Based models; Extensible
logic models
AB In systems engineering, the definitions of "verification" and "validation" are settled; consistent with the US Department of Defense's (Department of Defense, [1]) definitions; and distinct from one another. This distinction blurs in the V&V of social science-based models. Unlike physics-based models, the theoretical underpinnings of social science models are not readily verified through observation of real-world events or empirical testing. Hence, they are often contested. When experts do not agree on what the right thing to do is, determining that the model is built right (verification) and that the right thing has been built (validation) cannot be separated (Verification as a form of validation: deepening theory to broaden application of dod protocols to the social sciences, [2]). This paper updates an earlier one (The conundrum of verification and validation of social science-based models, [3]), that reviewed the literature on V&V of models and outlined future directions, and describes the experiences LANL researchers have had with the V&V of extensible logic models (https://www.orau.gov/dhssummit/2009/presentations/march18/plenary/shevitz_mar18.pdf, [4]) used to evaluate the efficacy of various technologies in countering national security threats.
C1 [Hahn, Heidi Ann] LANL, POB 1663,MS F696, Los Alamos, NM 87545 USA.
RP Hahn, HA (reprint author), LANL, POB 1663,MS F696, Los Alamos, NM 87545 USA.
EM hahn@lanl.gov
NR 12
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER INT PUBLISHING AG
PI CHAM
PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND
SN 2194-5357
BN 978-3-319-41636-6; 978-3-319-41635-9
J9 ADV INTELL SYST
PY 2017
VL 480
BP 279
EP 292
DI 10.1007/978-3-319-41636-6_23
PG 14
WC Computer Science, Artificial Intelligence
SC Computer Science
GA BG6RM
UT WOS:000390837000023
ER
PT S
AU Williams, GR
Bernard, ML
Jeffers, RF
AF Williams, Grace-Rose
Bernard, Michael L.
Jeffers, Robert F.
BE Schatz, S
Hoffman, M
TI Examining the, Ideological, Sociopolitical, and Contextual Factors
Underlying the Appeal of Extremism
SO ADVANCES IN CROSS-CULTURAL DECISION MAKING
SE Advances in Intelligent Systems and Computing
LA English
DT Proceedings Paper
CT International Conference on Cross-Cultural Decision Making (CCDM)
CY JUL 27-31, 2016
CL FL
DE Extremism; Religious ideology; Terrorist behavior; Violent extremist
organizations
ID GROUP POLARIZATION; RELATIVE DEPRIVATION; IDENTITY; SELF; PERCEPTION;
ATTITUDES; POLITICS
AB This paper discusses and seeks to synthesize theories regarding the role of ideology and psychosocial contextual factors in shaping motivations and behaviors of individuals within violent extremist movements. To better understand how these factors give birth to and nurture extremist social movements, theory from a multitude of disciplines was incorporated into a conceptual model of the drivers associated with terrorist behaviors. This model draws upon empirically supported theoretical notions, such as the violation of socioeconomic and geopolitical expectations, the concept of perceived threat, one's mental construction of the world and group polarization. It also draws upon the importance of one's social identity, sense of belonging, and the perceived "glamour" associated with extremist group behaviors.
C1 [Williams, Grace-Rose] Def Sci Technol Lab, Porton Down, Wilts, England.
[Bernard, Michael L.; Jeffers, Robert F.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
RP Williams, GR (reprint author), Def Sci Technol Lab, Porton Down, Wilts, England.; Bernard, ML; Jeffers, RF (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM grwilliams1@dstl.gov.uk; mlberna@sandia.gov; rfjeffe@sandia.gov
NR 45
TC 0
Z9 0
U1 4
U2 4
PU SPRINGER INT PUBLISHING AG
PI CHAM
PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND
SN 2194-5357
BN 978-3-319-41636-6; 978-3-319-41635-9
J9 ADV INTELL SYST
PY 2017
VL 480
BP 307
EP 319
DI 10.1007/978-3-319-41636-6_25
PG 13
WC Computer Science, Artificial Intelligence
SC Computer Science
GA BG6RM
UT WOS:000390837000025
ER
PT S
AU Naugle, AB
Bernard, ML
AF Naugle, Asmeret Bier
Bernard, Michael L.
BE Schatz, S
Hoffman, M
TI Using Computational Modeling to Examine Shifts Towards Extremist
Behaviors in European Diaspora Communities
SO ADVANCES IN CROSS-CULTURAL DECISION MAKING
SE Advances in Intelligent Systems and Computing
LA English
DT Proceedings Paper
CT International Conference on Cross-Cultural Decision Making (CCDM)
CY JUL 27-31, 2016
CL FL
DE Diaspora; European diaspora; Extremism; Violent extremist organizations
AB We created a simulation model to investigate potential links between the actions of violent extremist organizations (VEOs), people in the VEO's home country, and diaspora communities from that country living in the West. We created this model using the DYMATICA framework, which uses a hybrid cognitive-system dynamics modeling strategy to simulate behaviors based on psycho-social theory. Initial results of the model are given, focusing on increases to VEO funding and recruiting resulting from an invasion of the VEO's home country. Western intervention, prejudice, and economic drivers are also considered.
C1 [Naugle, Asmeret Bier; Bernard, Michael L.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Naugle, AB (reprint author), Sandia Natl Labs, Albuquerque, NM 87185 USA.
EM abier@sandia.gov; mlberna@sandia.gov
NR 15
TC 0
Z9 0
U1 1
U2 1
PU SPRINGER INT PUBLISHING AG
PI CHAM
PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND
SN 2194-5357
BN 978-3-319-41636-6; 978-3-319-41635-9
J9 ADV INTELL SYST
PY 2017
VL 480
BP 321
EP 332
DI 10.1007/978-3-319-41636-6_26
PG 12
WC Computer Science, Artificial Intelligence
SC Computer Science
GA BG6RM
UT WOS:000390837000026
ER
PT S
AU Spielman, Z
Hill, R
LeBlanc, K
Rice, B
Bower, G
Joe, J
Powers, D
AF Spielman, Zachary
Hill, Rachael
LeBlanc, Katya
Rice, Brandon
Bower, Gordon
Joe, Jeffrey
Powers, David
BE Cetiner, SM
Fechtelkotter, P
Legatt, M
TI Full Scale Evaluation of How Task-Based Overview Displays Impact
Operator Workload and Situation Awareness When in Emergency Procedure
Space
SO ADVANCES IN HUMAN FACTORS IN ENERGY: OIL, GAS, NUCLEAR AND ELECTRIC
POWER INDUSTRIES
SE Advances in Intelligent Systems and Computing
LA English
DT Proceedings Paper
CT 7th International Conference on Applied Human Factors and Ergonomics /
International Conference on Human Factors in Energy - Oil, Gas, Nuclear
and Electric Power Industries
CY JUL 27-31, 2016
CL Bay Lake, FL
DE Nuclear power plant; Control room; HIS; Automation; Human-automation
collaboration; Human performance; Situation awareness; Overview
displays; Workload
AB Control room modernization is critical to extending the life of the 99 operating commercial nuclear power plants (NPP) within the United States. However, due to the lack of evidence demonstrating the efficiency and effectiveness of recent candidate technologies, current NPP control rooms operate without the benefit of various newer technologies now available. As nuclear power plants begin to extend their licenses to continue operating for another 20 years, there is increased interest in modernizing the control room and supplementing the existing control boards with advanced technologies. As part of a series of studies investigating the benefits of advanced control room technologies, the researchers conducted an experimental study to observe the effect of Task-Based Overview Displays (TODs) on operator workload and situation awareness (SA) while completing typical operating scenarios. Researchers employed the Situation Awareness Rating Technique (SART) and the NASA Task Load Index (TLX) as construct measures.
C1 [Spielman, Zachary; Hill, Rachael; LeBlanc, Katya; Rice, Brandon; Bower, Gordon; Joe, Jeffrey; Powers, David] Idaho Natl Lab, 2525 Fremont Ave,POB 1625, Idaho Falls, ID 83415 USA.
RP Spielman, Z (reprint author), Idaho Natl Lab, 2525 Fremont Ave,POB 1625, Idaho Falls, ID 83415 USA.
EM zachary.spielman@inl.gov; rachael.hill@inl.gov; katya.leblanc@inl.gov;
brandon.rice@inl.gov; gordon.bower@inl.gov; jeffrey.joe@inl.gov
NR 7
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER INT PUBLISHING AG
PI CHAM
PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND
SN 2194-5357
BN 978-3-319-41950-3; 978-3-319-41949-7
J9 ADV INTELL SYST
PY 2017
VL 495
BP 15
EP 27
DI 10.1007/978-3-319-41950-3_2
PG 13
WC Computer Science, Artificial Intelligence; Engineering, Ocean;
Mineralogy
SC Computer Science; Engineering; Mineralogy
GA BG6SD
UT WOS:000390838600002
ER
PT S
AU Adams, SS
Hannigan, FP
AF Adams, Susan Stevens
Hannigan, Francis P.
BE Cetiner, SM
Fechtelkotter, P
Legatt, M
TI Defining Expertise in the Electric Grid Control Room
SO ADVANCES IN HUMAN FACTORS IN ENERGY: OIL, GAS, NUCLEAR AND ELECTRIC
POWER INDUSTRIES
SE Advances in Intelligent Systems and Computing
LA English
DT Proceedings Paper
CT 7th International Conference on Applied Human Factors and Ergonomics /
International Conference on Human Factors in Energy - Oil, Gas, Nuclear
and Electric Power Industries
CY JUL 27-31, 2016
CL Bay Lake, FL
DE Human factors; Expertise; Power grid; Control room
ID DECISION-MAKING; PERFORMANCE
AB Electric distribution utilities are on the brink of a paradigm shift to smart grids, which will incorporate new technologies and fundamentally change control room operations. Expertise in the control room, which has never been well defined, must be characterized in order to understand how this shift will impact control room operations and operator performance. In this study, the authors collaborated with a utility company in Vermont to define and understand expertise in distribution control room operations. The authors interviewed distribution control room operators, HR personnel, and managers and concluded that a control room expert is someone who has 7-9 years' experience in the control room and possesses certain traits, such as the ability to remain calm under pressure, effectively multi-task and quickly synthesize large amounts of data. This work has implications for control room operator training and how expertise is defined in the control room domain.
C1 [Adams, Susan Stevens] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
[Hannigan, Francis P.] Quantum Improvements Consulting, 3259 Progress Dr, Orlando, FL USA.
RP Adams, SS (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM smsteve@sandia.gov; fhannigan@quantumimprovements.net
NR 26
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER INT PUBLISHING AG
PI CHAM
PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND
SN 2194-5357
BN 978-3-319-41950-3; 978-3-319-41949-7
J9 ADV INTELL SYST
PY 2017
VL 495
BP 69
EP 77
DI 10.1007/978-3-319-41950-3_6
PG 9
WC Computer Science, Artificial Intelligence; Engineering, Ocean;
Mineralogy
SC Computer Science; Engineering; Mineralogy
GA BG6SD
UT WOS:000390838600006
ER
PT S
AU Boring, R
Lau, N
AF Boring, Ronald
Lau, Nathan
BE Cetiner, SM
Fechtelkotter, P
Legatt, M
TI Measurement Sufficiency Versus Completeness: Integrating Safety Cases
into Verification and Validation in Nuclear Control Room Modernization
SO ADVANCES IN HUMAN FACTORS IN ENERGY: OIL, GAS, NUCLEAR AND ELECTRIC
POWER INDUSTRIES
SE Advances in Intelligent Systems and Computing
LA English
DT Proceedings Paper
CT 7th International Conference on Applied Human Factors and Ergonomics /
International Conference on Human Factors in Energy - Oil, Gas, Nuclear
and Electric Power Industries
CY JUL 27-31, 2016
CL Bay Lake, FL
DE Verification; Validation; Integrated system validation; Safety case;
Control room; Nuclear power plant; Human factors
AB This paper reviews verification and validation (V&V) as applied in the context of nuclear power plant control room modernization. A common approach for V&V is summative or late-stage evaluation of the finalized design through a process called integrated system validation. Yet, common practice in user-centered design is to conduct evaluations early on in-progress system prototypes. Iterative, early-stage evaluation can form the basis of a safety case argument to ensure the regulatory acceptability of the new human-machine interface in the control room. It is argued that a series of formative evaluations provide more complete evidence of the safety of the new system than does a single summative evaluation.
C1 [Boring, Ronald] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
[Lau, Nathan] Virginia Polytech Inst & State Univ, Blacksburg, VA USA.
RP Boring, R (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA.
EM ronald.boring@inl.gov; nathan.lau@vt.edu
NR 20
TC 0
Z9 0
U1 1
U2 1
PU SPRINGER INT PUBLISHING AG
PI CHAM
PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND
SN 2194-5357
BN 978-3-319-41950-3; 978-3-319-41949-7
J9 ADV INTELL SYST
PY 2017
VL 495
BP 79
EP 90
DI 10.1007/978-3-319-41950-3_7
PG 12
WC Computer Science, Artificial Intelligence; Engineering, Ocean;
Mineralogy
SC Computer Science; Engineering; Mineralogy
GA BG6SD
UT WOS:000390838600007
ER
PT S
AU Coles, GA
Dalton, AC
Branch, KM
Prasad, R
Kohn, NP
Bittner, AC
AF Coles, Garill A.
Dalton, Angela C.
Branch, Kristi M.
Prasad, Rajiv
Kohn, Nancy P.
Bittner, Alvah C.
BE Cetiner, SM
Fechtelkotter, P
Legatt, M
TI Framework for Evaluating the Impact of Environmental Conditions on
Manual Actions
SO ADVANCES IN HUMAN FACTORS IN ENERGY: OIL, GAS, NUCLEAR AND ELECTRIC
POWER INDUSTRIES
SE Advances in Intelligent Systems and Computing
LA English
DT Proceedings Paper
CT 7th International Conference on Applied Human Factors and Ergonomics /
International Conference on Human Factors in Energy - Oil, Gas, Nuclear
and Electric Power Industries
CY JUL 27-31, 2016
CL Bay Lake, FL
DE Human performance; Manual actions; Environmental conditions; Flood
protection and mitigation; Nuclear power plants
AB Ensuring successful protection from and mitigation of external floods at nuclear power plants (NPPs) has received increasing attention in the wake of the Fukushima nuclear accident. Following the incident, the U.S. Nuclear Regulatory Commission (NRC) required all operating U.S. NPPs to identify nonconforming conditions and to verify the adequacy of monitoring and response procedures. Additional NRC initiatives aim to ensure that manual actions, i.e. actions taken outside of the main control room for flood protection and mitigation, are both feasible and reliable. We developed a framework to identify the key components and relationships required for an analytical approach or model to assess the impacts of environmental conditions (ECs) on the ability of individuals to perform flood protection and mitigation manual actions.
C1 [Coles, Garill A.; Dalton, Angela C.; Prasad, Rajiv] Pacific Northwest Natl Lab, POB 999, Richland, WA 99352 USA.
[Branch, Kristi M.] PNNL, 100 Dexter Ave N 400, Seattle, WA 98109 USA.
[Kohn, Nancy P.] PNNL, 1529 W Sequim Bay Rd, Sequim, WA 98382 USA.
[Bittner, Alvah C.] Bittner & Associates, 13839 SE 260th St, Kent, WA 98042 USA.
RP Prasad, R (reprint author), Pacific Northwest Natl Lab, POB 999, Richland, WA 99352 USA.
EM Garill.Coles@PNNL.gov; Angela.Dalton@PNNL.gov; Kristi.Branch@PNNL.gov;
Rajiv.Prasad@PNNL.gov; Nancy.Kohn@PNNL.gov; DrBittner@comcast.net
NR 13
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER INT PUBLISHING AG
PI CHAM
PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND
SN 2194-5357
BN 978-3-319-41950-3; 978-3-319-41949-7
J9 ADV INTELL SYST
PY 2017
VL 495
BP 157
EP 169
DI 10.1007/978-3-319-41950-3_14
PG 13
WC Computer Science, Artificial Intelligence; Engineering, Ocean;
Mineralogy
SC Computer Science; Engineering; Mineralogy
GA BG6SD
UT WOS:000390838600014
ER
PT S
AU Joe, JC
Boring, RL
AF Joe, Jeffrey C.
Boring, Ronald L.
BE Cetiner, SM
Fechtelkotter, P
Legatt, M
TI Using the Human Systems Simulation Laboratory at Idaho National
Laboratory for Safety Focused Research
SO ADVANCES IN HUMAN FACTORS IN ENERGY: OIL, GAS, NUCLEAR AND ELECTRIC
POWER INDUSTRIES
SE Advances in Intelligent Systems and Computing
LA English
DT Proceedings Paper
CT 7th International Conference on Applied Human Factors and Ergonomics /
International Conference on Human Factors in Energy - Oil, Gas, Nuclear
and Electric Power Industries
CY JUL 27-31, 2016
CL Bay Lake, FL
DE Human factors; Nuclear power plant; Control room modernization;
Instrumentation and control systems upgrades
AB Under the United States (U.S.) Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) program, researchers at Idaho National Laboratory (INL) have been using the Human Systems Simulation Laboratory (HSSL) to conduct critical safety focused Human Factors research and development (R&D) for the nuclear industry. The LWRS program has the overall objective to develop the scientific basis to extend existing nuclear power plant (NPP) operating life beyond the current 60-year licensing period and to ensure their long-term reliability, productivity, safety, and security. One focus area for LWRS is the NPP main control room (MCR), because many of the instrumentation and control (I&C) system technologies installed in the MCR, while highly reliable and safe, are now difficult to replace and are therefore limiting the operating life of the NPP. This paper describes how INL researchers use the HSSL to conduct Human Factors R&D on modernizing or upgrading these I&C systems in a step-wise manner, and how the HSSL has addressed a significant gap in the process for upgrading systems and technologies that are built to last, and therefore require careful integration of analog and new advanced digital technologies.
C1 [Joe, Jeffrey C.; Boring, Ronald L.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Joe, JC (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA.
EM Jeffrey.Joe@inl.gov; Ronald.Boring@inl.gov
NR 19
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER INT PUBLISHING AG
PI CHAM
PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND
SN 2194-5357
BN 978-3-319-41950-3; 978-3-319-41949-7
J9 ADV INTELL SYST
PY 2017
VL 495
BP 193
EP 201
DI 10.1007/978-3-319-41950-3_17
PG 9
WC Computer Science, Artificial Intelligence; Engineering, Ocean;
Mineralogy
SC Computer Science; Engineering; Mineralogy
GA BG6SD
UT WOS:000390838600017
ER
PT S
AU Abbott, RG
Moyer, E
Forsythe, C
AF Abbott, Robert G.
Moyer, Eric
Forsythe, Chris
BE Hale, KS
Stanney, KM
TI Measuring the After-Effects of Disruption on Task Performance
SO ADVANCES IN NEUROERGONOMICS AND COGNITIVE ENGINEERING
SE Advances in Intelligent Systems and Computing
LA English
DT Proceedings Paper
CT 7th International Conference on Applied Human Factors and Ergonomics
(AHFE) / International Conference on Neuroergonomics and Cognitive
Engineering
CY JUL 27-31, 2016
CL Bay Lake, FL
DE Human factors; Multitasking; Interruption; Disruption
AB In many settings, multi-tasking and interruption are commonplace. Multi-tasking has been a popular subject of recent research, but a multitasking paradigm normally allows the subject some control over the timing of the task switch. In this paper we focus on interruptions-situations in which the subject has no control over the timing of task switches. We consider three types of task: verbal (reading comprehension), visual search, and monitoring/situation awareness. Using interruptions from 30 s to 2 min in duration, we found a significant effect in each case, but with different effect sizes. For the situation awareness task, we experimented with interruptions of varying duration and found a non-linear relation between the duration of the interruption and its after-effect on performance, which may correspond to a task-dependent interruption threshold, which is lower for more dynamic tasks.
C1 [Abbott, Robert G.; Moyer, Eric; Forsythe, Chris] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Abbott, RG (reprint author), Sandia Natl Labs, Albuquerque, NM 87185 USA.
EM rgabbot@sandia.gov
NR 3
TC 0
Z9 0
U1 1
U2 1
PU SPRINGER INT PUBLISHING AG
PI CHAM
PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND
SN 2194-5357
BN 978-3-319-41691-5; 978-3-319-41690-8
J9 ADV INTELL SYST
PY 2017
VL 488
BP 351
EP 360
DI 10.1007/978-3-319-41691-5_30
PG 10
WC Computer Science, Artificial Intelligence; Neurosciences
SC Computer Science; Neurosciences & Neurology
GA BG6SA
UT WOS:000390838300030
ER
PT S
AU Tolston, MT
Finomore, V
Funke, GJ
Mancuso, V
Brown, R
Menke, L
Riley, MA
AF Tolston, Michael T.
Finomore, Victor
Funke, Gregory J.
Mancuso, Vincent
Brown, Rebecca
Menke, Lauren
Riley, Michael A.
BE Hale, KS
Stanney, KM
TI Effects of Biasing Information on the Conceptual Structure of Team
Communications
SO ADVANCES IN NEUROERGONOMICS AND COGNITIVE ENGINEERING
SE Advances in Intelligent Systems and Computing
LA English
DT Proceedings Paper
CT 7th International Conference on Applied Human Factors and Ergonomics
(AHFE) / International Conference on Neuroergonomics and Cognitive
Engineering
CY JUL 27-31, 2016
CL Bay Lake, FL
DE Teams; Team cognition; Team performance; Conceptual recurrence analysis
ID INTUITION; COGNITION; JUDGMENT; SYSTEMS; BIASES
AB This study evaluated the effect of biasing information on team communication and cognition in a distributed team decision-making task. Teams received misleading or irrelevant information (control) either early or late in their information queue, and Conceptual Recurrence Analysis (CRA) was used to quantify conceptual structure in team communications. Teams in the Late condition produced a significantly greater proportion of conceptually similar utterances than teams in the Early or Control conditions. There was also a trend in the Early condition for utterances to be more conceptually similar than those in the Late condition. Additionally, the persistence of misleading information was affected by condition: teams in the Late condition were still discussing misleading information in the second half of the experiment, but teams in the Early condition were not. We take this as evidence that receiving misleading information later in the queue decreased the focus of team conversation.
C1 [Tolston, Michael T.] Oak Ridge Inst Sci & Educ, Wright Patterson AFB, OH 45433 USA.
[Finomore, Victor; Funke, Gregory J.] US Air Force, Res Lab, Wright Patterson AFB, OH 45433 USA.
[Mancuso, Vincent] MIT, Lincoln Lab, 244 Wood St, Lexington, MA 02173 USA.
[Brown, Rebecca; Menke, Lauren] Ball Aerosp & Technol Corp, Fairborn, OH USA.
[Riley, Michael A.] Univ Cincinnati, Cincinnati, OH USA.
RP Tolston, MT (reprint author), Oak Ridge Inst Sci & Educ, Wright Patterson AFB, OH 45433 USA.
EM michale.tolston.ctr@us.af.mil
NR 19
TC 0
Z9 0
U1 2
U2 2
PU SPRINGER INT PUBLISHING AG
PI CHAM
PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND
SN 2194-5357
BN 978-3-319-41691-5; 978-3-319-41690-8
J9 ADV INTELL SYST
PY 2017
VL 488
BP 433
EP 445
DI 10.1007/978-3-319-41691-5_37
PG 13
WC Computer Science, Artificial Intelligence; Neurosciences
SC Computer Science; Neurosciences & Neurology
GA BG6SA
UT WOS:000390838300037
ER
PT J
AU Mei, DH
Lercher, JA
AF Mei, Donghai
Lercher, Johannes A.
TI Mechanistic insights into aqueous phase propanol dehydration in H-ZSM-5
zeolite
SO AICHE JOURNAL
LA English
DT Article; Proceedings Paper
CT 24th International Symposium on Chemical Reaction Engineering (ISCRE)
CY JUN 12-15, 2016
CL Minneapolis, MN
DE aqueous phase; alcohol; dehydration; zeolite; density functional theory
ID SPACE GAUSSIAN PSEUDOPOTENTIALS; ALCOHOL DEHYDRATION; AB-INITIO;
ADSORPTION THERMODYNAMICS; AMORPHOUS ALUMINOSILICATE; CATALYTIC
CONSEQUENCES; METHANOL DEHYDRATION; ETHANOL DEHYDRATION; PORE
CONFINEMENT; NMR-SPECTROSCOPY
AB Aqueous phase dehydration of 1-propanol over H-ZSM-5 zeolite was investigated using density functional theory (DFT) calculations. The water molecules in the zeolite pores prefer to aggregate via the hydrogen bonding network and be protonated at the BrOnsted acidic sites (BAS). Two typical configurations, i.e., dispersed and clustered, of water molecules were identified by ab initio molecular dynamics simulations of the mimicking aqueous phase H-ZSM-5 unit cell with 20 water molecules per unit cell. DFT calculated Gibbs free energies suggest that the dimeric propanol-propanol, the propanol-water, and the trimeric propanol-propanol-water complexes are formed at high propanol concentrations in aqueous phase, which provide a kinetically feasible dehydration reaction channel of 1-propanol to propene. The calculation results indicate that the propanol dehydration via the unimolecular mechanism becomes kinetically discouraged due to the enhanced stability of the protonated dimeric propanol and the protonated water cluster acting as the BAS site for alcohol dehydration. (c) 2016 American Institute of Chemical Engineers AIChE J, 63: 172-184, 2017
C1 [Mei, Donghai; Lercher, Johannes A.] Pacific Northwest Natl Lab, Phys & Computat Sci Directorate, Richland, WA 99352 USA.
[Mei, Donghai; Lercher, Johannes A.] Inst Integrated Catalysis, Richland, WA 99352 USA.
[Lercher, Johannes A.] Tech Univ Munich, Dept Chem, Lichtenbergstr 4, D-85748 Garching, Germany.
[Lercher, Johannes A.] Tech Univ Munich, Catalysis Res Inst, Lichtenbergstr 4, D-85748 Garching, Germany.
RP Mei, DH (reprint author), Pacific Northwest Natl Lab, Phys & Computat Sci Directorate, Richland, WA 99352 USA.; Mei, DH (reprint author), Inst Integrated Catalysis, Richland, WA 99352 USA.
EM donghai.mei@pnnl.gov
RI Mei, Donghai/A-2115-2012
OI Mei, Donghai/0000-0002-0286-4182
NR 65
TC 0
Z9 0
U1 22
U2 22
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0001-1541
EI 1547-5905
J9 AICHE J
JI AICHE J.
PD JAN
PY 2017
VL 63
IS 1
BP 172
EP 184
DI 10.1002/aic.15517
PG 13
WC Engineering, Chemical
SC Engineering
GA EF4CP
UT WOS:000390272500021
ER
PT J
AU Lin, HZ
Xiong, QG
Zhao, Y
Chen, JP
Wang, SR
AF Lin, Haizhou
Xiong, Qingang
Zhao, Yuan
Chen, Jingping
Wang, Shurong
TI Conversion of carbohydrates into 5-hydroxymethylfurfural in a green
reaction system of CO2-water-isopropanol
SO AICHE JOURNAL
LA English
DT Article; Proceedings Paper
CT 24th International Symposium on Chemical Reaction Engineering (ISCRE)
CY JUN 12-15, 2016
CL Minneapolis, MN
DE fructose; carbohydrate; 5-hydroxymethylfurfural; CO2; isopropanol
ID ACID-CATALYZED CONVERSION; D-FRUCTOSE; HYDROCHLORIC-ACID;
HIGH-TEMPERATURE; CARBON-DIOXIDE; C-13 NMR; GLUCOSE; BIOMASS; WATER;
DEHYDRATION
AB In this work, a green reaction system of CO2-water-isopropanol was developed for 5-hydroxymethylfurfural (HMF) production. The conversion of fructose in a CO2-water system was first investigated, and the results showed this system could promote the formation of HMF compared to a pure water system. Then, isopropanol was introduced into the CO2-water system and the HMF formation became better because the solvent effect of isopropanol increased the tautomeric composition of fructofuranose, which was easy to form HMF. The existence of isopropanol was found to greatly suppress secondary reactions where HMF was converted to levulinic acid and insoluble humin. Meanwhile, the effects of reaction parameters on the conversion of fructose to HMF in the CO2-water-isopropanol system were analyzed, and a high HMF yield of 67.14% was obtained. Finally, to further illustrate the merits of CO2-water-isopropanol system, productions of HMF from other carbohydrates were tested and satisfactory yields were achieved. (c) 2016 American Institute of Chemical Engineers AIChE J, 63: 257-265, 2017
C1 [Lin, Haizhou; Zhao, Yuan; Chen, Jingping; Wang, Shurong] Zhejiang Univ, State Key Lab Clean Energy Utilizat, Hangzhou 310027, Zhejiang, Peoples R China.
[Xiong, Qingang] Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA.
RP Wang, SR (reprint author), Zhejiang Univ, State Key Lab Clean Energy Utilizat, Hangzhou 310027, Zhejiang, Peoples R China.
EM srwang@zju.edu.cn
NR 44
TC 1
Z9 1
U1 18
U2 18
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0001-1541
EI 1547-5905
J9 AICHE J
JI AICHE J.
PD JAN
PY 2017
VL 63
IS 1
BP 257
EP 265
DI 10.1002/aic.15550
PG 9
WC Engineering, Chemical
SC Engineering
GA EF4CP
UT WOS:000390272500030
ER
PT J
AU Xiong, L
Shen, B
Qi, SZ
Price, L
Ye, B
AF Xiong, Ling
Shen, Bo
Qi, Shaozhou
Price, Lynn
Ye, Bin
TI The allowance mechanism of China's carbon trading pilots: A comparative
analysis with schemes in EU and California
SO APPLIED ENERGY
LA English
DT Article; Proceedings Paper
CT 7th International Conference on Applied Energy (ICAE)
CY MAR 28-31, 2015
CL Abu Dhabi, U ARAB EMIRATES
SP Malardalen Univ, Abu Dhabi Educ Council, Appl Energy Innovat Inst, Abu Dhabi Convent Bur, Collaborat Innovat Ctr Elect Vehicle
DE China carbon trading pilot; Cap-and-trade; ETS; Allowance allocation;
Climate change
ID ALLOCATION; COST
AB The allowance mechanism is one of the core and sensitive aspects in the design of a carbon emissions trading scheme and affects the compliance cost for each entity covered under the scheme. By examining China's allowance mechanism from two aspects-allowance allocation and allowance distribution, this paper compares China's carbon trading pilots with the EU Emissions Trading Scheme and California Cap-and-Trade Program. The comparison identifies the unique features in allowance mechanism and particular issues that affect the efficiency of the pilots. The paper also recommends courses of action to strengthen China's existing pilots and to build valuable experiences for the establishment of the national cap-and-trade system in China. Published by Elsevier Ltd.
C1 [Xiong, Ling] Wuhan Univ, Inst Int Studies, CICTSMR, Wuhan 430072, Hubei, Peoples R China.
[Shen, Bo; Price, Lynn] Lawrence Berkeley Natl Lab, China Energy Grp, Berkeley, CA 94720 USA.
[Xiong, Ling; Qi, Shaozhou] Wuhan Univ, Climate Change & Energy Econ Study Ctr, Wuhan 430072, Hubei, Peoples R China.
[Ye, Bin] Tsinghua Univ, Grad Sch Shenzhen, Res Ctr Modern Logist, Shenzhen 518055, Peoples R China.
RP Shen, B (reprint author), Lawrence Berkeley Natl Lab, China Energy Grp, Berkeley, CA 94720 USA.
EM xiong12004@126.com; BoShen@lbl.gov; cneuus@126.com; LKPrice@lbl.gov;
ye.bin@sz.tsinghua.edu.cn
NR 48
TC 4
Z9 4
U1 8
U2 8
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0306-2619
EI 1872-9118
J9 APPL ENERG
JI Appl. Energy
PD JAN 1
PY 2017
VL 185
SI SI
BP 1849
EP 1859
DI 10.1016/j.apenergy.2016.01.064
PN 2
PG 11
WC Energy & Fuels; Engineering, Chemical
SC Energy & Fuels; Engineering
GA EF7FF
UT WOS:000390494800086
ER
PT J
AU Linder, EV
AF Linder, Eric V.
TI Cosmic growth and expansion conjoined
SO ASTROPARTICLE PHYSICS
LA English
DT Article
DE Cosmic acceleration; Growth of large scale structure; Modified gravity;
Dark energy
ID POWER SPECTRUM; GALAXIES
AB Cosmological measurements of both the expansion history and growth history have matured, and the two together provide an important test of general relativity. We consider their joint evolutionary track, showing that this has advantages in distinguishing cosmologies relative to considering them individually or at isolated redshifts. In particular, the joint comparison relaxes the shape degeneracy that makes f sigma(8)(z) curves difficult to separate from the overall growth amplitude. The conjoined method further helps visualization of which combinations of redshift ranges provide the clearest discrimination. We examine standard dark energy cosmologies, modified gravity, and "stuttering" growth, each showing distinct signatures. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Linder, Eric V.] Univ Calif Berkeley, Berkeley Ctr Cosmol Phys, Berkeley, CA 94720 USA.
[Linder, Eric V.] Univ Calif Berkeley, Berkeley Lab, Berkeley, CA 94720 USA.
[Linder, Eric V.] Nazarbayev Univ, Energet Cosmos Lab, Astana 010000, Kazakhstan.
RP Linder, EV (reprint author), Univ Calif Berkeley, Berkeley Ctr Cosmol Phys, Berkeley, CA 94720 USA.; Linder, EV (reprint author), Univ Calif Berkeley, Berkeley Lab, Berkeley, CA 94720 USA.
EM evlinder@lbl.gov
FU NSF [PHY-1066293]; Energetic Cosmos Laboratory [041254, 041565]; U.S.
Department of Energy, Office of Science, Office of High Energy Physics
[DE-SC-0007867, DE-AC02-05CH11231]
FX I thank the Aspen Center for Physics, which is supported by NSF Grant
PHY-1066293, for a motivating environment. This work is supported in
part by the Energetic Cosmos Laboratory awards 041254 and 041565 and by
the U.S. Department of Energy, Office of Science, Office of High Energy
Physics, under Award DE-SC-0007867 and Contract no. DE-AC02-05CH11231.
NR 28
TC 0
Z9 0
U1 1
U2 1
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0927-6505
EI 1873-2852
J9 ASTROPART PHYS
JI Astropart Phys.
PD JAN
PY 2017
VL 86
BP 41
EP 45
DI 10.1016/j.astropartphys.2016.11.002
PG 5
WC Astronomy & Astrophysics; Physics, Particles & Fields
SC Astronomy & Astrophysics; Physics
GA EF7LV
UT WOS:000390512000007
ER
PT J
AU Metz, TO
Baker, ES
Schymanski, EL
Renslow, RS
Thomas, DG
Causon, TJ
Webb, IK
Hann, S
Smith, RD
Teeguarden, JG
AF Metz, Thomas O.
Baker, Erin S.
Schymanski, Emma L.
Renslow, Ryan S.
Thomas, Dennis G.
Causon, Tim J.
Webb, Ian K.
Hann, Stephan
Smith, Richard D.
Teeguarden, Justin G.
TI Integrating ion mobility spectrometry into mass spectrometry-based
exposome measurements: what can it add and how far can it go?
SO BIOANALYSIS
LA English
DT Article
DE collision cross section; exposome; ion mobility spectrometry; mass
spectrometry; metabolome
ID COLLISION CROSS-SECTIONS; IN-SILICO FRAGMENTATION; LC-IMS-MS;
WASTE-WATER; LIQUID-CHROMATOGRAPHY; METABOLITE IDENTIFICATION;
STRUCTURAL-CHARACTERIZATION; METABOLOMICS APPLICATIONS; XENOBIOTIC
EXPOSOME; GAS-CHROMATOGRAPHY
AB Measuring the exposome remains a challenge due to the range and number of anthropogenic molecules that are encountered in our daily lives, as well as the complex systemic responses to these exposures. One option for improving the coverage, dynamic range and throughput of measurements is to incorporate ion mobility spectrometry (IMS) into current MS-based analytical methods. The implementation of IMS in exposomics studies will lead to more frequent observations of previously undetected chemicals and metabolites. LC-IMS-MS will provide increased overall measurement dynamic range, resulting in detections of lower abundance molecules. Alternatively, the throughput of IMS-MS alone will provide the opportunity to analyze many thousands of longitudinal samples over lifetimes of exposure, capturing evidence of transitory accumulations of chemicals or metabolites. The volume of data corresponding to these new chemical observations will almost certainly outpace the generation of reference data to enable their confident identification. In this perspective, we briefly review the state-of-the-art in measuring the exposome, and discuss the potential use for IMS-MS and the physico-chemical property of collisional cross section in both exposure assessment and molecular identification.
C1 [Metz, Thomas O.; Baker, Erin S.; Renslow, Ryan S.; Thomas, Dennis G.; Webb, Ian K.; Smith, Richard D.; Teeguarden, Justin G.] Pacific Northwest Natl Lab, Div Biol Sci, Richland, WA 99354 USA.
[Schymanski, Emma L.] Eawag, Swiss Fed Inst Aquat Sci & Technol, Dubendorf, Switzerland.
[Causon, Tim J.; Hann, Stephan] Univ Nat Resources & Life Sci BOKU Vienna, Dept Chem, Div Analyt Chem, Vienna, Austria.
[Teeguarden, Justin G.] Oregon State Univ, Dept Environm & Mol Toxicol, Corvallis, OR 97331 USA.
RP Metz, TO (reprint author), Pacific Northwest Natl Lab, Div Biol Sci, Richland, WA 99354 USA.
EM thomas.metz@pnnl.gov
RI Smith, Richard/J-3664-2012; Causon, Tim/N-2492-2014;
OI Smith, Richard/0000-0002-2381-2349; Causon, Tim/0000-0003-1373-7493;
Schymanski, Emma/0000-0001-6868-8145
FU Pacific Northwest National Laboratory (PNNL) Laboratory Directed
Research and Development program; National Institutes of Health National
Institute of Environmental Health Sciences [R01ES022190]; SOLUTIONS
project - European Union [603437]; Vienna Business Agency; National
Institutes of Health, National Institute of General Medical Sciences
[P41 GM103493]; US Department of Energy Office of Biological and
Environmental Research via the Genome Science Program; DOE
[DE-AC05-76RLO 1830]
FX This work was supported by the Pacific Northwest National Laboratory
(PNNL) Laboratory Directed Research and Development program and is a
contribution of the Global Forensic Chemical Exposure Assessment for the
Environmental Exposome project (JG Teeguarden and TO Metz) and the
Microbiomes in Transition Initiative (RS Renslow and TO Metz), as well
as the National Institutes of Health National Institute of Environmental
Health Sciences grant R01ES022190) (ES Baker). EL Schymanski was
supported in part by the SOLUTIONS project, funded by the European
Union's Seventh Framework Programme for research, technological
development and demonstration under Grant Agreement No. 603437. TJ
Causon and S Hann would like to thank the Vienna Business Agency for
funding, as well as EQ BOKU VIBT GmbH for providing mass spectrometry
instrumentation. Research to develop Structures for Lossless Ion
Manipulations (SLIM) was supported by the National Institutes of Health,
National Institute of General Medical Sciences grant P41 GM103493 (RD
Smith), and the US Department of Energy Office of Biological and
Environmental Research via the Genome Science Program and is a
contribution of the PNNL Pan-omics Program (RD Smith). The authors would
like to thank Nathan Johnson for assistance in preparing figures. PNNL
is a multiprogram national laboratory operated by Battelle for the DOE
under Contract DE-AC05-76RLO 1830. Co-author RD Smith is a co-inventor
on one of the patents licensed by Agilent for the 6560 IMS-QTOF MS
instrument utilized for some of the work presented in this paper. The
authors have no other relevant affiliations or financial involvement
with any organization or entity with a financial interest in or
financial conflict with the subject matter or materials discussed in the
manuscript apart from those disclosed.
NR 122
TC 0
Z9 0
U1 12
U2 12
PU FUTURE SCI LTD
PI LONDON
PA UNITED HOUSE, 2 ALBERT PL, LONDON, N3 1QB, ENGLAND
SN 1757-6180
EI 1757-6199
J9 BIOANALYSIS
JI Bioanalysis
PD JAN
PY 2017
VL 9
IS 1
BP 81
EP 98
DI 10.4155/bio-2016-0244
PG 18
WC Biochemical Research Methods; Chemistry, Analytical
SC Biochemistry & Molecular Biology; Chemistry
GA EG1CB
UT WOS:000390768100008
PM 27921453
ER
PT J
AU Datye, A
Lin, HT
AF Datye, Amit
Lin, Hua-Tay
TI Energy analysis of spherical and Berkovich indentation contact damage in
commercial polycrystalline silicon carbide
SO CERAMICS INTERNATIONAL
LA English
DT Article
DE Ceramics; Silicon carbide; Nanoindentation; Energy analysis
ID POWER-LAW CREEP; FRACTURE-TOUGHNESS; NANOINDENTATION CHARACTERIZATION;
SINGLE-CRYSTALS; ELASTIC-MODULUS; COATED SYSTEMS; THIN-FILMS; HARDNESS;
STRENGTH; DEFORMATION
AB This research aims at enhancing the understanding of the role of processing and microstructure on the deformation of and fracture of polycrystalline silicon carbide based ceramics when subjected to blunt (spherical) and sharp (pyramidal) indenters. The role of microstructure and material properties on the energy absorption capability of SiC is studied. By examining the behavior of several SiC materials during nanoindentation experiments using spherical and pyramidal indenters, it is possible to make predictions about methods to improve the ductility and fracture toughness of SiC to optimize its energy absorption. The applicability of the area under the irreversible part of the indentation load displacement curve (energy dissipated during loading) to predict the performance of SiC under contact loading is examined. Results from experimental data show that the polycrystalline SiC material properties like hardness and modulus are relatively insensitive to the amount of indentation damage when the indent size is more than the average grain size. It can also be concluded that during pyramidal indentation for the polycrystalline samples analyzed, grain-size plays a much more important role in energy dissipation than the grain boundary phases or any other indentation damage relate effects.
C1 [Datye, Amit] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[Lin, Hua-Tay] Oak Ridge Natl Lab, Ceram Sci & Technol, Oak Ridge, TN 37831 USA.
[Lin, Hua-Tay] Guangdong Univ Technol, Guangzhou, Guangdong, Peoples R China.
RP Datye, A (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
EM adatye@vols.utk.edu
FU US National Science Foundation [CMMI 0926798]
FX This research was supported by the US National Science Foundation CMMI
0926798. The authors also acknowledge the support of Dr. Y.F. Gao and
Dr. G.M. Pharr during this research with helpful insights and
discussions.
NR 40
TC 0
Z9 0
U1 6
U2 6
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0272-8842
EI 1873-3956
J9 CERAM INT
JI Ceram. Int.
PD JAN
PY 2017
VL 43
IS 1
BP 800
EP 809
DI 10.1016/j.ceramint.2016.10.011
PN A
PG 10
WC Materials Science, Ceramics
SC Materials Science
GA EF9BB
UT WOS:000390624600112
ER
PT J
AU Huang, SF
Li, QG
Wang, Z
Cheng, X
Wen, HM
AF Huang, Shifeng
Li, Qinggang
Wang, Zhi
Cheng, Xin
Wen, Haiming
TI Effect of sintering aids on the microstructure and oxidation behavior of
hot pressed zirconium silicate ceramic
SO CERAMICS INTERNATIONAL
LA English
DT Article
DE Structural composites; Mechanical properties; Scanning electron
microscopy (SEM); Oxidation behavior
ID MECHANICAL-PROPERTIES; TI/AL2O3 COMPOSITES; SPARK PLASMA; PIGMENT;
PHASE; OXIDE; Y2O3
AB Zirconium silicate (ZrSiO4) ceramic was sintered via hot pressing at 1350 degrees C under an applied pressure of 30 MPa for 60 min using Y2O3 or nano-ZrO2 as sintering aids. The microstructure, phase composition, and mechanical properties of ZrSiO4 were characterized by scanning electron microscopy, X-ray diffraction and three-point bending tests, respectively. The ZrSiO4 ceramic with added nano-ZrO2 exhibited the highest flexural strength, hardness, fracture toughness, and relative density (132 MPa, 8.15 GPa, 3.34 MPam(1/2), and 99.3%, respectively). The effects of oxidation temperature and exposure time on the oxidation behavior of the sintered ZrSiO4 were investigated. The oxidation test results showed that the nano-ZrO2 sintering aid could effectively improve the oxidation resistance of ZrSiO4. The excellent oxidation resistance of ZrSiO4 with added nano-ZrO2 is attributed to the fact that nano-ZrO2 can restrain the decomposition of ZrSiO4 and improve the stability of ZrSiO4.
C1 [Huang, Shifeng; Li, Qinggang; Wang, Zhi; Cheng, Xin] Univ Jinan, Sch Mat Sci & Engn, Jinan 250022, Peoples R China.
[Huang, Shifeng; Cheng, Xin] Shandong Prov Key Lab Preparat & Measurement Bldg, Jinan 250022, Peoples R China.
[Li, Qinggang] Shandong Ind Ceram Res & Design Inst Co Ltd, Zibo, Shandong, Peoples R China.
[Wen, Haiming] Idaho State Univ, Dept Phys Nucl & Elect Engn, Idaho Falls, ID 83402 USA.
[Wen, Haiming] Idaho Natl Lab, Characterizat & Adv PIE Div, Idaho Falls, ID 83415 USA.
RP Li, QG; Cheng, X (reprint author), Univ Jinan, Sch Mat Sci & Engn, Jinan 250022, Peoples R China.
EM mse_liqg@ujn.edu.cn; chengxin@ujn.edu.cn
RI Wen, Haiming/B-3250-2013
OI Wen, Haiming/0000-0003-2918-3966
FU National Natural Science Foundation of China [51172256, 51142010,
51372099]; Doctoral Fund of University of Jinan [XBS1310]; Program for
Scientific research innovation team in Colleges and universities of
Shandong Province
FX Authors appreciate the financial support of the National Natural Science
Foundation of China under the Grant no. of 51172256, the Grant no. of
51142010, the Grant no. of 51372099 and the Doctoral Fund of University
of Jinan (XBS1310). Authors also appreciate the financial supported by
Program for Scientific research innovation team in Colleges and
universities of Shandong Province.
NR 22
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PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0272-8842
EI 1873-3956
J9 CERAM INT
JI Ceram. Int.
PD JAN
PY 2017
VL 43
IS 1
BP 875
EP 879
DI 10.1016/j.ceramint.2016.09.152
PN A
PG 5
WC Materials Science, Ceramics
SC Materials Science
GA EF9BB
UT WOS:000390624600124
ER
PT J
AU McMurray, JW
Zhou, Y
Luo, HM
Qu, J
AF McMurray, J. W.
Zhou, Y.
Luo, H. M.
Qu, J.
TI Vaporization behavior of tetraoctylphosphonium bis(2-ethylhexyl)
phosphate ionic liquid
SO CHEMICAL PHYSICS LETTERS
LA English
DT Article
ID VAPOR-PRESSURE MEASUREMENTS; LUBRICANT ADDITIVES; CATION; EXTRACTION;
STABILITY
AB The equilibrium vapor pressures, p(e), of the ionic liquid tetraoctylphosphonium bis(2-ethylhexyl) phosphate ([P-8888][DEHP]) over the temperature range 409-495 K were determined for the first time using mass loss Knudsen effusion. The p(e) versus temperature relationship compares well to 1-methyl-3-octylimidazolium bis(trifluoromethylsulfonyl) imide ([C(8)mim][NTf2]) but is lower than that of 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide ([C(2)mim][NTf2]) when measured using the same technique. The discrepancies between the p(e) determined in this work for [C(8)mim][NTf2] and [C(2)mim][NTf2] with previous studies is discussed. The enthalpy and entropy of vaporization for all three fluids are estimated from the Clasius-Clapeyron relation. (C) 2016 Elsevier B.V. All rights reserved.
C1 [McMurray, J. W.; Zhou, Y.; Luo, H. M.; Qu, J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37830 USA.
RP McMurray, JW (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37830 USA.
EM mcmurrayjw1@ornl.gov
OI McMurray, Jacob/0000-0001-5111-3054
FU US Department of Energy, Office of Nuclear Energy Fuel Cycle Research
and Development Program
FX The author would like to thank Dr. Nathan S. Jacobson of NASA Glenn
Research Center and Dr. Barbara J. Frame of Oak Ridge National
Laboratory for invaluable guidance as well as the helpful comments and
reviews by Dr. Christian Contescu and Mr. Brian Jolly of Oak Ridge
National Laboratory. The work was supported by the US Department of
Energy, Office of Nuclear Energy Fuel Cycle Research and Development
Program.
NR 26
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U1 2
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PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0009-2614
EI 1873-4448
J9 CHEM PHYS LETT
JI Chem. Phys. Lett.
PD JAN
PY 2017
VL 667
BP 55
EP 61
DI 10.1016/j.cplett.2016.11.024
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA EF9OI
UT WOS:000390659100011
ER
PT J
AU Westbrook, CK
Mehl, M
Pitz, WJ
Sjoberg, M
AF Westbrook, Charles K.
Mehl, Marco
Pitz, William J.
Sjoberg, Magnus
TI Chemical kinetics of octane sensitivity in a spark-ignition engine
SO COMBUSTION AND FLAME
LA English
DT Article
DE Chemical Kinetics; Ignition; Spark Ignition Engines
ID JET-STIRRED REACTOR; RAPID COMPRESSION MACHINE; LOW-TEMPERATURE
OXIDATION; N-BUTYLBENZENE; HIGH-PRESSURE; REACTION-MECHANISMS; PENTANE
ISOMERS; BIODIESEL FUELS; AUTO-IGNITION; DOUBLE-BOND
AB This paper uses a chemical kinetic modeling approach to study the influences of fuel molecular structure on Octane Sensitivity (OS) in Spark Ignition (SI) engines. Octane Sensitivity has the potential to identify fuels that can be used in next-generation high compression, turbocharged SI engines to avoid unwanted knocking conditions and extend the range of operating conditions that can be used in such engines. While the concept of octane numbers of different fuels has been familiar for many years, the variations of their values and their role in determining Octane Sensitivity have not been addressed previously in terms of the basic structures of the fuel molecules. In particular, the importance of electron delocalization on low temperature hydrocarbon reactivity and its role in determining OS in engine fuel is described here for the first time. The role of electron delocalization on fuel reactivity and Octane Sensitivity is illustrated for a very wide range of engine fuel types, including n-alkane, 1-olefin, n-alcohol, and n-alkyl benzenes, and the unifying features of these fuels and their common trends, using existing detailed chemical kinetic reaction mechanisms that have been collected and unified to produce an overall model with unprecedented capabilities. (C) 2016 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
C1 [Westbrook, Charles K.; Mehl, Marco; Pitz, William J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Sjoberg, Magnus] Sandia Natl Labs, Livermore, CA 94550 USA.
RP Westbrook, CK (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
EM westbrookck@earthlink.net
OI Westbrook, Charles/0000-0001-6552-2342
FU U.S. Department of Energy, Office of Basic Energy Sciences, Vehicle
Technologies Office; U.S. Department of Energy by Lawrence Livermore
National Laboratories [DE-AC52-07NA27344]; U. S. Department of Energy,
Office of Vehicle Technologies; U.S Department of Energy's National
Nuclear Security Administration [DE-AC04-94AL85000]
FX The work at LLNL was supported by the U.S. Department of Energy, Office
of Basic Energy Sciences, Vehicle Technologies Office, program managers
Wade Sisk, Kevin Stork, Leo Breton and Gurpreet Singh, and was performed
under the auspices of the U.S. Department of Energy by Lawrence
Livermore National Laboratories under contract DE-AC52-07NA27344. The SI
engine experiments were performed at the Combustion Research Facility,
Sandia National Laboratories, Livermore, CA. Financial support was
provided by the U. S. Department of Energy, Office of Vehicle
Technologies. Sandia National Laboratories is a multi-program laboratory
managed and operated by Sandia Corporation, a wholly owned subsidiary of
Lockheed Martin Corporation, for the U.S Department of Energy's National
Nuclear Security Administration under contract DE-AC04-94AL85000.
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PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 0010-2180
EI 1556-2921
J9 COMBUST FLAME
JI Combust. Flame
PD JAN
PY 2017
VL 175
SI SI
BP 2
EP 15
DI 10.1016/j.combustflame.2016.05.022
PG 14
WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary;
Engineering, Chemical; Engineering, Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EG1ZY
UT WOS:000390834100002
ER
PT J
AU Ruwe, L
Moshammer, K
Hansen, N
Kohse-Hoinghaus, K
AF Ruwe, Lena
Moshammer, Kai
Hansen, Nils
Kohse-Hoeinghaus, Katharina
TI Consumption and hydrocarbon growth processes in a 2-methyl-2-butene
flame
SO COMBUSTION AND FLAME
LA English
DT Article
DE 2-Methyl-2-butene; Alkene combustion; Allylic bond; Premixed laminar
flame; Molecular-beam mass spectrometry; Photoionization
ID BOND-DISSOCIATION ENERGIES; COMBUSTION CHEMISTRY; LOW-PRESSURE; REACTION
PATHWAYS; AROMATIC-HYDROCARBONS; FORMATION MECHANISMS; PYRENE
DIMERIZATION; CYCLOPENTENE FLAMES; NONPREMIXED FLAMES; BENZENE FORMATION
AB This paper is concerned with the investigation of the chemical structure of a low-pressure, fuel-rich (phi = 1.8) premixed laminar flame fueled with 2-methyl-2-butene employing flame-sampling molecular-beam mass spectrometry with vacuum-ultraviolet single-photon ionization. Partially isomer-resolved mole fraction profiles can be explained by a decomposition scheme based on hydrogen abstraction and addition reactions. The presence of 9 allylic C-H bonds compared to only one vinylic C-H bond is the key feature that governs the fuel consumption and subsequent hydrocarbon growth reactions. Compared to other alkenes, including e.g., 1-butene, 2-butene, and iso-butene (Schenk et al., 2013), 2-methyl-2-butene shows a remarkable tendency to form soot precursor molecules such as toluene. In particular, experimental evidence is provided here that toluene, o-xylerie, and styrene can be a starting point for PAH formation, thus serving as first aromatic rings besides benzene. The formation of toluene, o-xylene, and styrene can be traced back to the reactions of the resonantly stabilized C4H5 [center dot CH2-C equivalent to C-CH3 and CH2=CH-center dot C=CH2] radicals and the C5H7 [CH2=C(CH3)-center dot C=CH2] radicals that are readily formed through fuel-specific decomposition channels. Our experimental data in form of mole fraction profiles as a function of height above the burner for a mass range from 2 to 210 u can serve as reliable validation targets for model development. A preliminary comparison to the model of Westbrook et al. [1] that was optimized to capture ignition delay times and the low-temperature oxidation regime, shows promising elements already for the initial fuel consumption. (C) 2016 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
C1 [Ruwe, Lena; Kohse-Hoeinghaus, Katharina] Univ Bielefeld, Dept Chem, Univ Str 25, D-33615 Bielefeld, Germany.
[Moshammer, Kai; Hansen, Nils] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
RP Kohse-Hoinghaus, K (reprint author), Univ Bielefeld, Dept Chem, Univ Str 25, D-33615 Bielefeld, Germany.; Moshammer, K (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
EM kmosham@sandia.gov; kkh@uni-bielefeld.de
RI Hansen, Nils/G-3572-2012; Kohse-Hoinghaus, Katharina/A-3867-2012
FU U.S. Department of Energy (DOE), Office of Science, Office of Basic
Energy Sciences; National Nuclear Security Administration
[DE-AC04-94-AL85000]; Office of Basic Energy Sciences, of the U.S.
Department of Energy [DE-AC02-05CH11231]; Bielefeld University
FX The authors are grateful to Paul Fugazzi for expert technical
assistance. The measurements were performed within the "Flame Team"
collaboration at the Advanced Light Source (ALS), Lawrence Berkeley
National Laboratory, Berkeley, USA, and the authors thank the students
and postdocs for the help with the data acquisition. NH and KM are
supported by the U.S. Department of Energy (DOE), Office of Science,
Office of Basic Energy Sciences. Sandia is a multi-program laboratory
operated by Sandia Corporation, a Lockheed Martin Company, for the
National Nuclear Security Administration under Contract
DE-AC04-94-AL85000. The Advanced Light Source is supported by the
Director, Office of Basic Energy Sciences, of the U.S. Department of
Energy under Contract no. DE-AC02-05CH11231. We thank Dr. C.K. Westbrook
for providing the mechanism and transport data. LR thanks Bielefeld
University for a scholarship.
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PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 0010-2180
EI 1556-2921
J9 COMBUST FLAME
JI Combust. Flame
PD JAN
PY 2017
VL 175
SI SI
BP 34
EP 46
DI 10.1016/j.combustflame.2016.06.032
PG 13
WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary;
Engineering, Chemical; Engineering, Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA EG1ZY
UT WOS:000390834100005
ER
PT J
AU Childers, JT
Uram, TD
LeCompte, TJ
Papka, ME
Benjamin, DP
AF Childers, J. T.
Uram, T. D.
LeCompte, T. J.
Papka, M. E.
Benjamin, D. P.
TI Adapting the serial Alpgen parton-interaction generator to simulate LHC
collisions on millions of parallel threads
SO COMPUTER PHYSICS COMMUNICATIONS
LA English
DT Article
DE Supercomputer; HEP; Simulation; Parallel
AB As the LHC moves to higher energies and luminosity, the demand for computing resources increases accordingly and will soon outpace the growth of the Worldwide LHC Computing Grid. To meet this greater demand, event generation Monte Carlo was targeted for adaptation to run on Mira, the supercomputer at the Argonne Leadership Computing Facility. Alpgen is a Monte Carlo event generation application that is used by LHC experiments in the simulation of collisions that take place in the Large Hadron Collider. This paper details the process by which Alpgen was adapted from a single-processor serial-application to a large-scale parallel-application and the performance that was achieved. (C) 2016 Published by Elsevier B.V.
C1 [Childers, J. T.; Uram, T. D.; LeCompte, T. J.; Papka, M. E.] Argonne Natl Lab, Lemont, IL 60439 USA.
[Benjamin, D. P.] Duke Univ, Durham, NC USA.
RP Childers, JT (reprint author), Argonne Natl Lab, Lemont, IL 60439 USA.
EM jchilders@anl.gov
FU U.S. Department of Energy, Office of Science, Basic Energy Sciences
[DE-AC02-06CH11357]; DOE Office of Science User Facility
[DE-AC02-06CH11357]
FX This work is supported by the U.S. Department of Energy, Office of
Science, Basic Energy Sciences, under contract DE-AC02-06CH11357. This
research used resources of the Argonne Leadership Computing Facility,
which is a DOE Office of Science User Facility supported under Contract
DE-AC02-06CH11357. An award of computer time was provided by the DOE
Office of Advanced Scientific Computing Research (ASCR) Leadership
Computing Challenge (ALCC) program.
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PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0010-4655
EI 1879-2944
J9 COMPUT PHYS COMMUN
JI Comput. Phys. Commun.
PD JAN
PY 2017
VL 210
BP 54
EP 59
DI 10.1016/j.cpc.2016.09.013
PG 6
WC Computer Science, Interdisciplinary Applications; Physics, Mathematical
SC Computer Science; Physics
GA EF7KC
UT WOS:000390507500005
ER
PT J
AU Stork, CL
Ummel, CC
Stuart, DS
Bodily, S
Goldblum, BL
AF Stork, C. L.
Ummel, C. C.
Stuart, D. S.
Bodily, S.
Goldblum, B. L.
TI Dynamic analysis environment for nuclear forensic analyses
SO COMPUTER PHYSICS COMMUNICATIONS
LA English
DT Article
DE Nuclear forensics; Principal component analysis; k nearest neighbors
algorithm
AB A Dynamic Analysis Environment (DAE) software package is introduced to facilitate group inclusion/exclusion method testing, evaluation and comparison for pre-detonation nuclear forensics applications. Employing DAE, the multivariate signatures of a questioned material can be compared to the signatures for different, known groups, enabling the linking of the questioned material to its potential process, location, or fabrication facility. Advantages of using DAE for group inclusion/exclusion include built-in query tools for retrieving data of interest from a database, the recording and documentation of all analysis steps, a clear visualization of the analysis steps intelligible to a non-expert, and the ability to integrate analysis tools developed in different programming languages. Two group inclusion/exclusion methods are implemented in DAE: principal component analysis, a parametric feature extraction method, and k nearest neighbors, a nonparametric pattern recognition method. Spent Fuel Isotopic Composition (SFCOMPO), an open source international database of isotopic compositions for spent nuclear fuels (SNF) from 14 reactors, is used to construct PCA and KNN models for known reactor groups, and 20 simulated SNF samples are utilized in evaluating the performance of these group inclusion/exclusion models. For all 20 simulated samples, PCA in conjunction with the Q statistic correctly excludes a large percentage of reactor groups and correctly includes the true reactor of origination. Employing KNN, 14 of the 20 simulated samples are classified to their true reactor of origination. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Stork, C. L.; Stuart, D. S.; Bodily, S.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
[Ummel, C. C.; Goldblum, B. L.] Univ Calif Berkeley, Berkeley, CA 94720 USA.
RP Ummel, CC (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA.
EM chadummel@berkeley.edu
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; Department of Energy National Nuclear Security
Administration through the Nuclear Science and Security Consortium
[DE-NA0000979]; U.S. Department of Homeland Security
[2012-DN-130-NF0001-02]; U.S. Department of Homeland Security/National
Technical Nuclear Forensics Center
FX The authors thank the U.S. Department of Homeland Security/National
Technical Nuclear Forensics Center for funding and supporting this
work.; This material is based upon work supported by the U.S. Department
of Homeland Security under Grant Award Number 2012-DN-130-NF0001-02. The
views and conclusions contained in this document are those of the
authors and should not be interpreted as representing the official
policies, either expressed or implied, of the U.S. Department of
Homeland Security.; This material is based upon work supported in part
by the Department of Energy National Nuclear Security Administration
through the Nuclear Science and Security Consortium under Award Number
DE-NA0000979.; Sandia National Laboratories is a multi-program
laboratory managed and operated by Sandia Corporation, a wholly owned
subsidiary of Lockheed Martin Corporation, for the U.S. Department of
Energy's National Nuclear Security Administration under contract
DE-AC04-94AL85000.
NR 23
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PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0010-4655
EI 1879-2944
J9 COMPUT PHYS COMMUN
JI Comput. Phys. Commun.
PD JAN
PY 2017
VL 210
BP 60
EP 71
DI 10.1016/j.cpc.2016.09.019
PG 12
WC Computer Science, Interdisciplinary Applications; Physics, Mathematical
SC Computer Science; Physics
GA EF7KC
UT WOS:000390507500006
ER
PT J
AU Vincenti, H
Lobet, M
Lehe, R
Sasanka, R
Vay, JL
AF Vincenti, H.
Lobet, M.
Lehe, R.
Sasanka, R.
Vay, J. -L.
TI An efficient and portable SIMD algorithm for charge/current deposition
in Particle-In-Cell codes
SO COMPUTER PHYSICS COMMUNICATIONS
LA English
DT Article
DE Particle-In-Cell method; OpenMP; SIMD Vectorization; AVX2; AVX512;
Tiling; Cache reuse; Many-core architectures
ID SIMULATION
AB In current computer architectures, data movement (from die to network) is by far the most energy consuming part of an algorithm (R,'20 pi/word on-die to 10,000 pi/word on the network). To increase memory locality at the hardware level and reduce energy consumption related to data movement, future exascale. computers tend to use many-core processors on each compute nodes that will have a reduced clock speed to allow for efficient cooling. To compensate for frequency decrease, machine vendors are making use of long SIMD instruction registers that are able to process multiple data with one arithmetic operator in one clock cycle. SIMD register length is expected to double every four years. As a consequence, Particle-In-Cell (PIC) codes will have to achieve good vectorization to fully take advantage of these upcoming architectures. In this paper, we present a new algorithm that allows for efficient and portable SIMD vectorization of current/charge deposition routines that are, along with the field gathering routines, among the most time consuming parts of the PIC algorithm. Our new algorithm uses a particular data structure that takes into account memory alignment constraints and avoids gather/scatter instructions that can significantly affect vectorization performances on current CPUs. The new algorithm was successfully implemented in the 3D skeleton PIC code PICSAR and tested on Haswell Xeon processors (AVX2-256 bits wide data registers). Results show a factor of x 2 to x2.5 speed-up in double precision for particle shape factor of orders 1-3. The new algorithm can be applied as is on future KNL (Knights Landing) architectures that will include AVX-512 instruction sets with 512 bits register lengths (8 doubles/16 singles).
Program summary
Program Title: vec_deposition
Program Files doi: http://dx.doi.org/10.17632/nh77fv9k8c.1
Licensing provisions: BSD 3-Clause
Programming language: Fortran 90
External routines/libraries: OpenMP > 4.0
Nature of problem: Exascale architectures will have many-core processors per node with long vector data registers capable of performing one single instruction on multiple data during one clock cycle. Data register lengths are expected to double every four years and this pushes for new portable solutions for efficiently vectorizing Particle-In-Cell codes on these future many-core architectures. One of the main hotspot routines of the PIC algorithm is the current/charge deposition for which there is no efficient and portable vector algorithm.
Solution method: Here we provide an efficient and portable vector algorithm of current/charge deposition routines that uses a new data structure, which significantly reduces gather/scatter operations. Vectorization is controlled using OpenMP 4.0 compiler directives for vectorization which ensures portability across different architectures.
Restrictions: Here we do not provide the full PIC algorithm with an executable but only vector routines for current/charge deposition. These scalar/vector routines can be used as library routines in your 3D Particle In -Cell code. However, to get the best performances out of vector routines you have to satisfy the two following requirements: (1) Your code should implement particle tiling (as explained in the manuscript) to allow for maximized cache reuse and reduce memory accesses that can hinder vector performances. The routines can be used directly on each particle tile. (2) You should compile your code with a Fortran 90 compiler (e.g Intel, gnu or cray) and provide proper alignment flags and compiler alignment directives (more details in README file). (C) 2016 Published by Elsevier B.V.
C1 [Vincenti, H.; Lobet, M.; Lehe, R.; Vay, J. -L.] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Vincenti, H.] CEA, Lasers Interact & Dynam Lab LIDyL, Gif Sur Yvette, France.
[Sasanka, R.] Intel Corp, Hillsboro, OR 97124 USA.
RP Vincenti, H (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM hvincenti@lbl.gov; mlobet@lbl.gov; rlehe@lbl.gov;
ruchira.sasanka@intel.com; jlvay@lbl.gov
FU European Commission through Marie Sklowdoska-Curie actions (Marie Curie
IOF fellowship PICSSAR) [624543]; Office of Science, Office of High
Energy Physics, U.S. Dept. of Energy [DE-AC02-05CH11231]; US-DOE SciDAC
program ComPASS; US DOE program CAMPA; Office of Science of the U.S.
Department of Energy [DE-AC02-05CH11231]; United States Government
FX We thank Karthik Raman from Intel inc for useful discussions on the
optimization of the vector routines. This work was supported by the
European Commission through the Marie Sklowdoska-Curie actions (Marie
Curie IOF fellowship PICSSAR Grant Number 624543) as well as by the
Director, Office of Science, Office of High Energy Physics, U.S. Dept.
of Energy under Contract No. DE-AC02-05CH11231, the US-DOE SciDAC
program ComPASS, and the US DOE program CAMPA. This research used
resources of the National Energy Research Scientific Computing Center, a
DOE Office of Science User Facility supported by the Office of Science
of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.;
This document was prepared as an account of work sponsored in part by
the United States Government. While this document is believed to contain
correct information, neither the United States Government nor any agency
thereof, nor The Regents of the University of California, nor any of
their employees, nor the authors make any warranty, expressed or
implied, or assume any legal responsibility for the accuracy,
completeness, or usefulness of any information, apparatus, product, or
process disclosed, or represent that its use would not infringe
privately owned rights. Reference herein to any specific commercial
product, process, or service by its trade name, trademark, manufacturer,
or otherwise, does not necessarily constitute or imply its endorsement,
recommendation, or favoring by the United States Government or any
agency thereof, or The Regents of the University of California. The
views and opinions of authors expressed herein do not necessarily state
or reflect those of the United States Government or any agency thereof
or The Regents of the University of California.
NR 10
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PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0010-4655
EI 1879-2944
J9 COMPUT PHYS COMMUN
JI Comput. Phys. Commun.
PD JAN
PY 2017
VL 210
BP 145
EP 154
DI 10.1016/j.cpc.2016.08.023
PG 10
WC Computer Science, Interdisciplinary Applications; Physics, Mathematical
SC Computer Science; Physics
GA EF7KC
UT WOS:000390507500014
ER
PT J
AU Maccarini, A
Wetter, M
Afshari, A
Hultmark, G
Bergsoe, NC
Vorre, A
AF Maccarini, Alessandro
Wetter, Michael
Afshari, Alireza
Hultmark, Goran
Bergsoe, Niels C.
Vorre, Anders
TI Energy saving potential of a two-pipe system for simultaneous heating
and cooling of office buildings
SO ENERGY AND BUILDINGS
LA English
DT Article
DE Energy saving; HVAC systems; Low-exergy; Simulation; Modelica; Active
beams
ID MODELICA; LIBRARY
AB This paper analyzes the performance of a novel two-pipe system that operates one water loop to simultaneously provide space heating and cooling with a water supply temperature of around 22 degrees C. To analyze the energy performance of the system, a simulation-based research was conducted. The two-pipe system was modelled using the equation-based Modelica modeling language in Dymola. A typical office building model was considered as the case study. Simulations were run for two construction sets of the building envelope and two conditions related to inter-zone air flows. To calculate energy savings, a conventional four-pipe system was modelled and used for comparison. The conventional system presented two separated water loops for heating and cooling with supply temperatures of 45 degrees C and 14 degrees C, respectively. Simulation results showed that the two-pipe system was able to use less energy than the four-pipe system thanks to three effects: useful heat transfer from warm to cold zones, higher free cooling potential and higher efficiency of the heat pump. In particular, the two-pipe system used approximately between 12% and 18% less total annual primary energy than the four-pipe system, depending on the simulation case considered. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Maccarini, Alessandro; Afshari, Alireza; Bergsoe, Niels C.] Aalborg Univ, Danish Bldg Res Inst, AC Meyers Vaenge 15, DK-2450 Copenhagen, Denmark.
[Wetter, Michael] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Hultmark, Goran; Vorre, Anders] Lindab Comfort AS, Lucernemarken 17, DK-3520 Farum, Denmark.
RP Maccarini, A (reprint author), Aalborg Univ, Danish Bldg Res Inst, AC Meyers Vaenge 15, DK-2450 Copenhagen, Denmark.
EM alm@sbi.aau.dk; mwetter@lbl.gov; ala@sbi.aau.dk; gohu@Lindab.dk;
ncb@sbi.aau.dk; avo@Lindab.dk
FU ELFORSK; Assistant Secretary for Energy Efficiency and Renewable Energy,
Building Technologies Office, of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX This study was financially supported by ELFORSK, a research and
development program administrated by the Danish Energy Association. The
work was supported by the Assistant Secretary for Energy Efficiency and
Renewable Energy, Building Technologies Office, of the U.S. Department
of Energy under Contract No. DE-AC02-05CH11231.
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PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0378-7788
EI 1872-6178
J9 ENERG BUILDINGS
JI Energy Build.
PD JAN 1
PY 2017
VL 134
BP 234
EP 247
DI 10.1016/j.enbuild.2016.10.051
PG 14
WC Construction & Building Technology; Energy & Fuels; Engineering, Civil
SC Construction & Building Technology; Energy & Fuels; Engineering
GA EF9BD
UT WOS:000390624800021
ER
PT J
AU Stringfellow, WT
Camarillo, MK
Domen, JK
Sandelin, WL
Varadharajan, C
Jordan, PD
Reagan, MT
Cooley, H
Heberger, MG
Birkholzer, JT
AF Stringfellow, William T.
Camarillo, Mary Kay
Domen, Jeremy K.
Sandelin, Whitney L.
Varadharajan, Charuleka
Jordan, Preston D.
Reagan, Matthew T.
Cooley, Heather
Heberger, Matthew G.
Birkholzer, Jens T.
TI Identifying chemicals of concern in hydraulic fracturing fluids used for
oil production
SO ENVIRONMENTAL POLLUTION
LA English
DT Article
DE Hydraulic fracturing; Produced water; Well stimulation; Oil production;
Biocides; Corrosion inhibitors
ID ORGANIC-COMPOUNDS; WATER-TREATMENT; GAS-WELLS; SURFACTANTS; SHALE; FATE;
DEGRADATION; ENVIRONMENT; SUBSTANCES; CHALLENGES
AB Chemical additives used for hydraulic fracturing and matrix acidizing of oil reservoirs were reviewed and priority chemicals of concern needing further environmental risk assessment, treatment demonstration, or evaluation of occupational hazards were identified. We evaluated chemical additives used for well stimulation in California, the third largest oil producing state in the USA, by the mass and frequency of use, as well as toxicity. The most frequently used chemical additives in oil development were gelling agents, cross-linkers, breakers, clay control agents, iron and scale control agents, corrosion inhibitors, biocides, and various impurities and product stabilizers used as part of commercial mixtures. Hydrochloric and hydrofluoric acids, used for matrix acidizing and other purposes, were reported infrequently. A large number and mass of solvents and surface active agents were used, including quaternary ammonia compounds (QACs) and nonionic surfactants. Acute toxicity was evaluated and many chemicals with low hazard to mammals were identified as potentially hazardous to aquatic environments. Based on an analysis of quantities used, toxicity, and lack of adequate hazard evaluation, QACs, biocides, and corrosion inhibitors were identified as priority chemicals of concern that deserve further investigation. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Stringfellow, William T.; Varadharajan, Charuleka; Jordan, Preston D.; Reagan, Matthew T.; Birkholzer, Jens T.] Lawrence Berkeley Natl Lab, Earth & Environm Sci Area, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Stringfellow, William T.; Camarillo, Mary Kay; Domen, Jeremy K.; Sandelin, Whitney L.] Univ Pacific, Sch Engn & Comp Sci, Ecol Engn Res Program, 3601 Pacific Ave, Stockton, CA 95211 USA.
[Cooley, Heather; Heberger, Matthew G.] Pacific Inst, 654 13th St,Preservat Pk, Oakland, CA 94612 USA.
RP Stringfellow, WT (reprint author), Lawrence Berkeley Natl Lab, Earth & Environm Sci Area, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM wstringfellow@lbl.gov
RI Birkholzer, Jens/C-6783-2011; Stringfellow, William/O-4389-2015
OI Birkholzer, Jens/0000-0002-7989-1912; Stringfellow,
William/0000-0003-3189-5604
FU California Natural Resources Agency; U.S. Bureau of Land Management;
U.S. Department of Energy at LBNL [DE-AC02-05CH11231]
FX This work was supported by the California Natural Resources Agency and
the U.S. Bureau of Land Management, under Work for Others Agreements
with the U.S. Department of Energy at LBNL, under contract number
DE-AC02-05CH11231. We appreciate the cooperation and leadership of Jane
Long and Laura Feinstein of the California Council on Science and
Technology (CCST) in the execution of the SB4 Scientific Study.
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0269-7491
EI 1873-6424
J9 ENVIRON POLLUT
JI Environ. Pollut.
PD JAN
PY 2017
VL 220
BP 413
EP 420
DI 10.1016/j.envpol.2016.09.082
PN A
PG 8
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA EG0QG
UT WOS:000390736700045
PM 27743793
ER
PT J
AU Yang, M
Ye, JS
Qin, HM
Long, Y
Li, Y
AF Yang, Meng
Ye, Jinshao
Qin, Huaming
Long, Yan
Li, Yi
TI Influence of perfluorooctanoic acid on proteomic expression and cell
membrane fatty acid of Escherichia coli
SO ENVIRONMENTAL POLLUTION
LA English
DT Article
DE Resistance mechanism; PFOA; Escherichia coli; iTRAQ; Proteomic analysis
ID SULFONATE PFOS; HOMEOSTASIS; PROTEASE; FLUIDITY; SUBUNIT; BINDING;
GROWTH; LIPIDS
AB Perfluorooctanoic acid (PFOA) has received an increasing attention in the agricultural and food industries due to its risk to human health. To facilitate the development of novel biomarkers of Escherichia coli against PFOA through multi-omics technologies, and to reveal the resistance mechanism of E. coil against PFOA at protein levels, the interactions among pollutant stress, protein expression and cell metabolism was investigated by using iTRAQ-based quantitative proteomic analysis. The results revealed that the 63 up-regulated proteins mainly involved in tricarboxylic acid cycle, glyoxylate and dicarboxylate metabolism and fatty acid biosynthesis, whereas, the 69 down-regulated proteins related to oxidative phosphorylation, pyruvate metabolism and the cell cycle-caulobacter pathway, were also associated with the increase of membrane permeability, excessive expenditure of ATP, disruption of fatty acid biosynthesis under PFOA stress. The results provide novel insights into the influence mechanisms of PFOA on fatty acid and protein networks. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Yang, Meng; Qin, Huaming; Long, Yan; Li, Yi] Jinan Univ, Sch Environm, Guangzhou Key Lab Environm Exposure & Hlth, Guangzhou 510632, Guangdong, Peoples R China.
[Yang, Meng; Qin, Huaming; Long, Yan; Li, Yi] Jinan Univ, Guangdong Key Lab Environm Pollut & Hlth, Guangzhou 510632, Guangdong, Peoples R China.
[Ye, Jinshao] Lawrence Berkeley Natl Lab, Joint Genome Inst, Walnut Creek, CA 94598 USA.
RP Qin, HM (reprint author), Jinan Univ, Sch Environm, Guangzhou Key Lab Environm Exposure & Hlth, Guangzhou 510632, Guangdong, Peoples R China.; Qin, HM (reprint author), Jinan Univ, Guangdong Key Lab Environm Pollut & Hlth, Guangzhou 510632, Guangdong, Peoples R China.
EM huamingqin@163.com
FU National Natural Science Foundation of China [21377047, 21577049];
Science and Technology Project of Guangdong Province [2014A020216013]
FX The authors would like to thank the National Natural Science Foundation
of China (Nos. 21377047, 21577049), and the Science and Technology
Project of Guangdong Province (No. 2014A020216013) for their financial
support.
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0269-7491
EI 1873-6424
J9 ENVIRON POLLUT
JI Environ. Pollut.
PD JAN
PY 2017
VL 220
BP 532
EP 539
DI 10.1016/j.envpol.2016.09.097
PN A
PG 8
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA EG0QG
UT WOS:000390736700058
PM 27742440
ER
PT J
AU Xu, XY
Wang, WX
AF Xu, Xiaoyu
Wang, Wen-Xiong
TI Mercury exposure and source tracking in distinct marine-caged fish farm
in southern China
SO ENVIRONMENTAL POLLUTION
LA English
DT Article
DE Mercury; Source tracking; Farmed fish; Diets; Methylmercury
ID PEARL RIVER ESTUARY; ROOM-TEMPERATURE PRECOLLECTION; HG ISOTOPIC
COMPOSITION; COASTAL ENVIRONMENTS; TROPHIC TRANSFER; METHYLMERCURY;
CONSUMPTION; SEDIMENTS; BIOACCUMULATION; FRACTIONATION
AB Coasts of South China have experienced an unprecedented growth in its marine-caged fish industry. We analyzed mercury concentrations and stable mercury isotope ratios in fourteen fish species from two cage-cultured farms in Southern China. Total mercury concentrations of all species were lower than the human health screening values, but the human exposures through consumption of several carnivorous fish exceeded the USEPA's reference dose. Isotopic compositions in the sediment (delta Hg-202: 1.45 parts per thousand to -1.23 parts per thousand; Delta Hg-199: -0.04 parts per thousand to -0.01 parts per thousand) suggested that mercury in these farms were from coal combustion and industrial inputs. Commercial food pellets and fresh fish viscera provided the major sources of methylmercury to the farmed fish and dominated their mercury isotopic signatures. Non-carnivorous fish presented lower delta Hg-202 and Delta Hg-199 values than the carnivorous fish. Using a mixing model, we demonstrated that the majority of mercury in non-carnivorous species came from pellets and in carnivorous fish came from combined diets of pellets and viscera. Meanwhile, methylmercury concentrations and % methylmercury in the fish were positively correlated with delta Hg-202 values but not with Delta Hg-199 values, mainly because fish eating similar feeds maintained similar Delta Hg-199 values. Environmental influences of cage farming such as fish feces and uneaten viscera that continuously provide organic mercury to the environments need to be considered. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Xu, Xiaoyu; Wang, Wen-Xiong] HKUST Shenzhen Res Inst, Marine Environm Lab, Shenzhen 518000, Peoples R China.
[Xu, Xiaoyu; Wang, Wen-Xiong] Hong Kong Univ Sci & Technol, Div Life Sci, Kowloon, Hong Kong, Peoples R China.
[Xu, Xiaoyu] Univ Georgia, Savannah River Ecol Lab, PO Drawer E, Aiken, SC 29802 USA.
RP Wang, WX (reprint author), HKUST Shenzhen Res Inst, Marine Environm Lab, Shenzhen 518000, Peoples R China.
EM wwang@ust.hk
FU Basic Research Program of Shenzhen Science, Technology and Innovation
Commission (SZSTI)
FX We thank the anonymous reviewers for their comments on this work. This
study was supported by a grant from Basic Research Program of Shenzhen
Science, Technology and Innovation Commission (SZSTI). We are indebted
to Caihuan Ke, Qiaoguo Tan, Jian Wang for their help on field sampling.
We thank Haiying Lin, Fei Pu, Dongxing Yuan, and Weitao Zhou who
provided assistance on the use of MC-ICP-MS.
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0269-7491
EI 1873-6424
J9 ENVIRON POLLUT
JI Environ. Pollut.
PD JAN
PY 2017
VL 220
BP 1138
EP 1146
DI 10.1016/j.envpol.2016.11.021
PN B
PG 9
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA EG0OO
UT WOS:000390732300042
PM 27908487
ER
PT J
AU Luo, HW
Yin, XP
Jubb, AM
Chen, HM
Lu, X
Zhang, WH
Lin, H
Yu, HQ
Liang, LY
Sheng, GP
Gu, BH
AF Luo, Hong-Wei
Yin, Xiangping
Jubb, Aaron M.
Chen, Hongmei
Lu, Xia
Zhang, Weihua
Lin, Hui
Yu, Han-Qing
Liang, Liyuan
Sheng, Guo-Ping
Gu, Baohua
TI Photochemical reactions between mercury (Hg) and dissolved organic
matter decrease Hg bioavailability and methylation
SO ENVIRONMENTAL POLLUTION
LA English
DT Article
DE Dissolved organic matter; Hg-DOM photolysis; Methylmercury;
Biogeochemical transformation; HgS precipitation
ID GASEOUS MERCURY; ANOXIC ENVIRONMENTS; ANAEROBIC-BACTERIA; ESTUARINE
SEDIMENT; ELEMENTAL MERCURY; NATURAL-WATERS; BOREAL LAKE; METHYLMERCURY;
SULFIDE; REDUCTION
AB Atmospheric deposition of mercury (Hg) to surface water is one of the dominant sources of Hg in aquatic environments and ultimately drives methylmercury (MeHg) toxin accumulation in fish. It is known that freshly deposited Hg is more readily methylated by microorganisms than aged or preexisting Hg; however the underlying mechanism of this process is unclear. We report that Hg bioavailability is decreased by photochemical reactions between Hg and dissolved organic matter (DOM) in water. Photo irradiation of Hg-DOM complexes results in loss of Sn(II)-reducible (i.e. reactive) Hg and up to an 80% decrease in MeHg production by the methylating bacterium Geobacter sulfurreducens PCA. Loss of reactive Hg proceeded at a faster rate with a decrease in the Hg to DOM ratio and is attributed to the possible formation of mercury sulfide (HgS). These results suggest a new pathway of abiotic photochemical formation of HgS in surface water and provide a mechanism whereby freshly deposited Hg is readily methylated but, over time, progressively becomes less available for microbial uptake and methylation. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Luo, Hong-Wei; Yin, Xiangping; Jubb, Aaron M.; Chen, Hongmei; Lu, Xia; Zhang, Weihua; Lin, Hui; Liang, Liyuan; Gu, Baohua] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.
[Luo, Hong-Wei; Yu, Han-Qing; Sheng, Guo-Ping] Univ Sci & Technol China, Dept Chem, Hefei 230026, Peoples R China.
[Zhang, Weihua] Sun Yat Sen Univ, Sch Environm Sci & Engn, Guangzhou 510006, Guangdong, Peoples R China.
[Liang, Liyuan] Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
RP Gu, BH (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.
EM gub1@ornl.gov
RI Yu, Han-Qing/F-7925-2010;
OI Jubb, Aaron/0000-0001-6875-1079
FU Office of Biological and Environmental Research, Office of Science, U.S.
Department of Energy (DOE) as part of the Mercury Science Focus Area at
Oak Ridge National Laboratory (ORNL); DOE [DE-AC05-00OR22725]; Chinese
Scholarship Council (CSC) of China; Office of Biological and
Environmental Research
FX We thank Roslie Chu and Nikola Tolic at Environmental Molecular Sciences
Laboratory (EMSL), Pacific Northwest National Laboratory, for technical
assistance with FTICR-MS analysis. This research was sponsored by the
Office of Biological and Environmental Research, Office of Science, U.S.
Department of Energy (DOE) as part of the Mercury Science Focus Area at
Oak Ridge National Laboratory (ORNL), which is managed by UT-Battelle
LLC for the DOE under Contract DE-AC05-00OR22725. HWL, XL, and WZ were
partially supported by the Chinese Scholarship Council (CSC) of China. A
portion of this research was performed using EMSL, a DOE Office of
Science User Facility sponsored by the Office of Biological and
Environmental Research.
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0269-7491
EI 1873-6424
J9 ENVIRON POLLUT
JI Environ. Pollut.
PD JAN
PY 2017
VL 220
BP 1359
EP 1365
DI 10.1016/j.envpol.2016.10.099
PN B
PG 7
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA EG0OO
UT WOS:000390732300064
PM 27836473
ER
PT J
AU Mittal, S
AF Mittal, Sparsh
TI A Survey of Techniques for Architecting and Managing GPU Register File
SO IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS
LA English
DT Article
DE Review; classification; GPGPU; GPU; register file; reliability;
performance; power management; non; volatile memory; embedded DRAM
(eDRAM)
ID MEMORY; SYSTEMS; GPGPUS; CACHE
AB To support their massively-multithreaded architecture, GPUs use very large register file (RF) which has a capacity higher than even L1 and L2 caches. In total contrast, traditional CPUs use tiny RF and much larger caches to optimize latency. Due to these differences, along with the crucial impact of RF in determining GPU performance, novel and intelligent techniques are required for managing GPU RF. In this paper, we survey the techniques for designing and managing GPU RF. We discuss techniques related to performance, energy and reliability aspects of RF. To emphasize the similarities and differences between the techniques, we classify them along several parameters. The aim of this paper is to synthesize the state-of-art developments in RF management and also stimulate further research in this area.
C1 [Mittal, Sparsh] Oak Ridge Natl Lab, Future Technol Grp, POB 2008, Oak Ridge, TN 37830 USA.
RP Mittal, S (reprint author), Oak Ridge Natl Lab, Future Technol Grp, POB 2008, Oak Ridge, TN 37830 USA.
EM mittals@ornl.gov
OI Mittal, Sparsh/0000-0002-2908-993X
FU U.S. Department of Energy, Office of Science, Advanced Scientific
Computing Research
FX Support for this work was provided by U.S. Department of Energy, Office
of Science, Advanced Scientific Computing Research.
NR 55
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U1 2
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PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 1045-9219
EI 1558-2183
J9 IEEE T PARALL DISTR
JI IEEE Trans. Parallel Distrib. Syst.
PD JAN 1
PY 2017
VL 28
IS 1
BP 16
EP 28
DI 10.1109/TPDS.2016.2546249
PG 13
WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA EF9UJ
UT WOS:000390676100003
ER
PT J
AU Azad, A
Buluc, A
Pothen, A
AF Azad, Ariful
Buluc, Aydin
Pothen, Alex
TI Computing Maximum Cardinality Matchings in Parallel on Bipartite Graphs
via Tree-Grafting
SO IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS
LA English
DT Article
DE Cardinality matching; bipartite graph; tree grafting; parallel
algorithms
ID RELABEL BASED ALGORITHMS; SPARSE
AB It is difficult to obtain high performance when computing matchings on parallel processors because matching algorithms explicitly or implicitly search for paths in the graph, and when these paths become long, there is little concurrency. In spite of this limitation, we present a new algorithm and its shared-memory parallelization that achieves good performance and scalability in computing maximum cardinality matchings in bipartite graphs. Our algorithm searches for augmenting paths via specialized breadth-first searches (BFS) from multiple source vertices, hence creating more parallelism than single source algorithms. Algorithms that employ multiple-source searches cannot discard a search tree once no augmenting path is discovered from the tree, unlike algorithms that rely on single-source searches. We describe a novel tree-grafting method that eliminates most of the redundant edge traversals resulting from this property of multiple-source searches. We also employ the recent direction-optimizing BFS algorithm as a subroutine to discover augmenting paths faster. Our algorithm compares favorably with the current best algorithms in terms of the number of edges traversed, the average augmenting path length, and the number of iterations. We provide a proof of correctness for our algorithm. Our NUMA-aware implementation is scalable to 80 threads of an Intel multiprocessor and to 240 threads on an Intel Knights Corner coprocessor. On average, our parallel algorithm runs an order of magnitude faster than the fastest algorithms available. The performance improvement is more significant on graphs with small matching number.
C1 [Azad, Ariful; Buluc, Aydin] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
[Pothen, Alex] Purdue Univ, Dept Comp Sci, W Lafayette, IN 47907 USA.
RP Azad, A (reprint author), Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
EM azad@lbl.gov; abuluc@lbl.gov; apothen@purdue.edu
FU US Department of Energy, Office of Science, Office of Advanced
Scientific Computing Research, Applied Mathematics program
[DE-AC02-05CH11231]; US National Science Foundation (NSF) [CCF 1218196,
1552323]; DOE [DE-FG02-13ER26135]
FX This material is based upon work supported by the US Department of
Energy, Office of Science, Office of Advanced Scientific Computing
Research, Applied Mathematics program under contract number No.
DE-AC02-05CH11231 and by US National Science Foundation (NSF) grants CCF
1218196 and 1552323, and DOE grant DE-FG02-13ER26135.
NR 33
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U1 2
U2 2
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 1045-9219
EI 1558-2183
J9 IEEE T PARALL DISTR
JI IEEE Trans. Parallel Distrib. Syst.
PD JAN 1
PY 2017
VL 28
IS 1
BP 44
EP 59
DI 10.1109/TPDS.2016.2546258
PG 16
WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA EF9UJ
UT WOS:000390676100005
ER
PT J
AU Mubarak, M
Carothers, CD
Ross, RB
Carns, P
AF Mubarak, Misbah
Carothers, Christopher D.
Ross, Robert B.
Carns, Philip
TI Enabling Parallel Simulation of Large-Scale HPC Network Systems
SO IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS
LA English
DT Article
DE Massively parallel discrete-event simulation; interconnect networks;
trace-based simulation
AB With the increasing complexity of today's high-performance computing (HPC) architectures, simulation has become an indispensable tool for exploring the design space of HPC systems-in particular, networks. In order to make effective design decisions, simulations of these systems must possess the following properties: (1) have high accuracy and fidelity, (2) produce results in a timely manner, and (3) be able to analyze a broad range of network workloads. Most state-of-the-art HPC network simulation frameworks, however, are constrained in one or more of these areas. In this work, we present a simulation framework for modeling two important classes of networks used in today's IBM and Cray supercomputers: torus and dragonfly networks. We use the Co-Design of Multi-layer Exascale Storage Architecture (CODES) simulation framework to simulate these network topologies at a flit-level detail using the Rensselaer Optimistic Simulation System (ROSS) for parallel discrete-event simulation. Our simulation framework meets all the requirements of a practical network simulation and can assist network designers in design space exploration. First, it uses validated and detailed flit-level network models to provide an accurate and high-fidelity network simulation. Second, instead of relying on serial time-stepped or traditional conservative discrete-event simulations that limit simulation scalability and efficiency, we use the optimistic event-scheduling capability of ROSS to achieve efficient and scalable HPC network simulations on today's high-performance cluster systems. Third, our models give network designers a choice in simulating a broad range of network workloads, including HPC application workloads using detailed network traces, an ability that is rarely offered in parallel with high-fidelity network simulations.
C1 [Mubarak, Misbah; Ross, Robert B.; Carns, Philip] Argonne Natl Lab, Math & Comp Sci MCS Div, 9700 South Cass Ave, Argonne, IL 60439 USA.
[Carothers, Christopher D.] Rensselaer Polytech Inst, Dept Comp Sci, 110 8th St, Troy, NY 12180 USA.
RP Mubarak, M (reprint author), Argonne Natl Lab, Math & Comp Sci MCS Div, 9700 South Cass Ave, Argonne, IL 60439 USA.
EM mubarak@mcs.anl.gov; chrisc@cs.rpi.edu; rross@mcs.anl.gov;
carns@mcs.anl.gov
FU US Department of Energy, Office of Science, Office of Advanced
Scientific Computer Research (ASCR) [DE-AC02-06CH11357]
FX This material was based upon work supported by the US Department of
Energy, Office of Science, Office of Advanced Scientific Computer
Research (ASCR) under contract DE-AC02-06CH11357. This research used
resources of the Argonne Leadership Computing Facility (ALCF) at the
Argonne National Laboratory and the Computational Center for Innovation
at Rensselaer Polytechnic Institute. The authors are thankful to Nikhil
Jain (UIUC) for his contributions to CODES network models. Preliminary
version of this work has previously appeared in PMBS 2012 workshop
(Supercomputing) and ACM SIGSIM PADS 2014.
NR 47
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U2 1
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 1045-9219
EI 1558-2183
J9 IEEE T PARALL DISTR
JI IEEE Trans. Parallel Distrib. Syst.
PD JAN 1
PY 2017
VL 28
IS 1
BP 87
EP 100
DI 10.1109/TPDS.2016.2543725
PG 14
WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA EF9UJ
UT WOS:000390676100008
ER
PT J
AU Kim, Y
Atchley, S
Vallee, GR
Lee, S
Shipman, GM
AF Kim, Youngjae
Atchley, Scott
Vallee, Geoffroy R.
Lee, Sangkeun
Shipman, Galen M.
TI Optimizing End-to-End Big Data Transfers over Terabits Network
Infrastructure
SO IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS
LA English
DT Article
DE File and storage systems; parallel file sysetms; networks; I/O
scheduling
AB While future terabit networks hold the promise of significantly improving big-data motion among geographically distributed data centers, significant challenges must be overcome even on today's 100 gigabit networks to realize end-to-end performance. Multiple bottlenecks exist along the end-to-end path from source to sink, for instance, the data storage infrastructure at both the source and sink and its interplay with the wide-area network are increasingly the bottleneck to achieving high performance. In this paper, we identify the issues that lead to congestion on the path of an end-to-end data transfer in the terabit network environment, and we present a new bulk data movement framework for terabit networks, called LADS. LADS exploits the underlying storage layout at each endpoint to maximize throughput without negatively impacting the performance of shared storage resources for other users. LADS also uses the Common Communication Interface (CCI) in lieu of the sockets interface to benefit from hardware-level zero-copy, and operating system bypass capabilities when available. It can further improve data transfer performance under congestion on the end systems using buffering at the source using flash storage. With our evaluations, we show that LADS can avoid congested storage elements within the shared storage resource, improving input/output bandwidth, and data transfer rates across the high speed networks. We also investigate the performance degradation problems of LADS due to I/O contention on the parallel file system (PFS), when multiple LADS tools share the PFS. We design and evaluate a meta-scheduler to coordinate multiple I/O streams while sharing the PFS, to minimize the I/O contention on the PFS. With our evaluations, we observe that LADS with meta-scheduling can further improve the performance by up to 14 percent relative to LADS without meta-scheduling.
C1 [Kim, Youngjae] Sogang Univ, Dept Comp Sci & Engn, Seoul, South Korea.
[Atchley, Scott; Vallee, Geoffroy R.; Lee, Sangkeun] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Shipman, Galen M.] Los Alamos Natl Lab, Adv Comp Lab, Los Alamos, NM 87545 USA.
RP Kim, Y (reprint author), Sogang Univ, Dept Comp Sci & Engn, Seoul, South Korea.
EM youkim@sogang.ac.kr; atchleyes@ornl.gov; valeegr@ornl.gov;
lees4@ornl.gov; gshipman@lanl.gov
FU Institute for Information & communications Technology Promotion(IITP) -
Korea Government (MSIP) [R0190-15-2012]; National Research Foundation of
Korea (NRF) - Korea Government (MISP) [2015R1C1A1A0152105]; U.S. DOE
[DE-AC05-00OR22725]
FX This work was supported in part by Institute for Information &
communications Technology Promotion(IITP) grant funded by the Korea
Government (MSIP) (No. R0190-15-2012) and by the National Research
Foundation of Korea (NRF) grant funded by the Korea Government (MISP)
(No. 2015R1C1A1A0152105). The work was also supported by, and used the
resources of, the Oak Ridge Leadership Computing Facility, located in
the National Center for Computational Sciences at ORNL, which is managed
by UT Battelle, LLC for the U.S. DOE (under the contract No.
DE-AC05-00OR22725).
NR 23
TC 0
Z9 0
U1 2
U2 2
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 1045-9219
EI 1558-2183
J9 IEEE T PARALL DISTR
JI IEEE Trans. Parallel Distrib. Syst.
PD JAN 1
PY 2017
VL 28
IS 1
BP 188
EP 201
DI 10.1109/TPDS.2016.2550439
PG 14
WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA EF9UJ
UT WOS:000390676100015
ER
PT J
AU Kylasa, SB
Aktulga, HM
Grama, AY
AF Kylasa, Sudhir B.
Aktulga, Hasan Metin
Grama, Ananth Y.
TI Reactive Molecular Dynamics on Massively Parallel Heterogeneous
Architectures
SO IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS
LA English
DT Article
DE Reactive molecular dynamics; parallel GPU implementations; material
simulations
ID FORCE-FIELD; SIMULATIONS; REAXFF; PROTEINS; DECOMPOSITION; ALGORITHMS;
GPU
AB We present a parallel implementation of the ReaxFF force field on massively parallel heterogeneous architectures, called PuReMD-Hybrid. PuReMD, on which this work is based, along with its integration into LAMMPS, is currently used by a large number of research groups worldwide. Accelerating this important community codebase that implements a complex reactive force field poses a number of algorithmic, design, and optimization challenges, as we discuss in detail. In particular, different computational kernels are best suited to different computing substrates-CPUs or GPUs. Scheduling these computations requires complex resource management, as well as minimizing data movement across CPUs and GPUs. Integrating powerful nodes, each with multiple CPUs and GPUs, into clusters and utilizing the immense compute power of these clusters requires significant optimizations for minimizing communication and, potentially, redundant computations. From a programming model perspective, PuReMD-Hybrid relies on MPI across nodes, pthreads across cores, and CUDA on the GPUs to address these challenges. Using a variety of innovative algorithms and optimizations, we demonstrate that our code can achieve over 565-fold speedup compared to a single core implementation on a cluster of 36 state-of-the-art GPUs for complex systems. In terms of application performance, our code enables simulations of over 1.8M atoms in under 0.68 seconds per simulation time step.
C1 [Kylasa, Sudhir B.] Purdue Univ, Dept Elect & Comp Engn, W Lafayette, IN 47907 USA.
[Aktulga, Hasan Metin] Michigan State Univ, Dept Comp Sci & Engn, 428 S Shaw Lane,Room 3115, E Lansing, MI 48824 USA.
[Aktulga, Hasan Metin] Lawrence Berkeley Natl Lab, Sci Comp Grp, 1 Cyclotron Rd,MS 50F-1650, Berkeley, CA 94720 USA.
[Grama, Ananth Y.] Purdue Univ, Dept Comp Sci, W Lafayette, IN 47907 USA.
RP Kylasa, SB (reprint author), Purdue Univ, Dept Elect & Comp Engn, W Lafayette, IN 47907 USA.
EM skylasa@purdue.edu; hma@cse.msu.edu; ayg@cs.purdue.edu
FU National Science Foundation [CCF 1533795]
FX We thank Adri van-Duin for significant help in validating our software
on a variety of systems. We also thank Joe Fogarty at the University of
Southern Florida for constructing model systems for testing and
validation and Michigan State University for providing us access to
their GPU cluster for benchmarking our application. This work was
supported by the National Science Foundation Grant CCF 1533795.
NR 43
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U1 5
U2 5
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 1045-9219
EI 1558-2183
J9 IEEE T PARALL DISTR
JI IEEE Trans. Parallel Distrib. Syst.
PD JAN 1
PY 2017
VL 28
IS 1
BP 202
EP 214
DI 10.1109/TPDS.2016.2548462
PG 13
WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA EF9UJ
UT WOS:000390676100016
ER
PT J
AU Di, S
Robert, Y
Vivien, F
Cappello, F
AF Di, Sheng
Robert, Yves
Vivien, Frederic
Cappello, Franck
TI Toward an Optimal Online Checkpoint Solution under a Two-Level HPC
Checkpoint Model
SO IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS
LA English
DT Article
DE High-performance computing; fault tolerance; optimization; multilevel
checkpoint
ID REPLICATION
AB The traditional single-level checkpointing method suffers from significant overhead on large-scale platforms. Hence, multilevel checkpointing protocols have been studied extensively in recent years. The multilevel checkpoint approach allows different levels of checkpoints to be set (each with different checkpoint overheads and recovery abilities), in order to further improve the fault tolerance performance of extreme-scale HPC applications. How to optimize the checkpoint intervals for each level, however, is an extremely difficult problem. In this paper, we construct an easy-to-use two-level checkpoint model. Checkpoint level 1 deals with errors with low checkpoint/recovery overheads such as transient memory errors, while checkpoint level 2 deals with hardware crashes such as node failures. Compared with previous optimization work, our new optimal checkpoint solution offers two improvements: (1) it is an online solution without requiring knowledge of the job length in advance, and (2) it shows that periodic patterns are optimal and determines the best pattern. We evaluate the proposed solution and compare it with the most up-to-date related approaches on an extreme-scale simulation testbed constructed based on a real HPC application execution. Simulation results show that our proposed solution outperforms other optimized solutions and can improve the performance significantly in some cases. Specifically, with the new solution the wall-clock time can be reduced by up to 25.3 percent over that of other state-of-the-art approaches. Finally, a brute-force comparison with all possible patterns shows that our solution is always within 1 percent of the best pattern in the experiments.
C1 [Di, Sheng; Cappello, Franck] Argonne Natl Lab, Math & Comp Sci MCS Div, Chicago, IL 60611 USA.
[Robert, Yves; Vivien, Frederic] INRIA, ENS Lyon, Lab LIP, CNRS, Lyon, France.
[Robert, Yves; Vivien, Frederic] UCB Lyon, Lyon, France.
[Robert, Yves] Univ Tennessee Knoxville, Knoxville, TN USA.
RP Di, S (reprint author), Argonne Natl Lab, Math & Comp Sci MCS Div, Chicago, IL 60611 USA.
EM disheng222@gmail.com; Yves.Robert@inria.fr; frederic.vivien@inria.fr;
cappello@mcs.anl.gov
FU European project SCoRPiO; PIA ELCI project; US Department of Energy,
Office of Science, Advanced Scientific Computing Research Program
[DE-AC02-06CH11357]; INRIA-Illinois-ANL-BSC-JSC-Riken Joint Laboratory
on Extreme Scale Computing; Center for Exascale Simulation of Advanced
Reactors (CESAR) at Argonne
FX The authors would like to thank the reviewers for their comments and
suggestions, which greatly helped improve the final version of the
paper. This research was funded in part by the European project SCoRPiO,
and by the PIA ELCI project. Yves Robert is with Institut Universitaire
de France. This research was also based upon work supported by the US
Department of Energy, Office of Science, Advanced Scientific Computing
Research Program, under Contract DE-AC02-06CH11357; and by the
INRIA-Illinois-ANL-BSC-JSC-Riken Joint Laboratory on Extreme Scale
Computing, and Center for Exascale Simulation of Advanced Reactors
(CESAR) at Argonne. The submitted manuscript has been created by
UChicago Argonne, LLC, Operator of Argonne National Laboratory
("Argonne"). Argonne, a US Department of Energy Office of Science
laboratory, is operated under Contract No. DE-AC02-06CH11357. The US
Government retains for itself, and others acting on its behalf, a
paid-up nonexclusive, irrevocable worldwide license in said article to
reproduce, prepare derivative works, distribute copies to the public,
and perform publicly and display publicly, by or on behalf of the
Government. Equal contributions are made by Sheng Di, Yves Robert, and
Frederic Vivien.
NR 27
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PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 1045-9219
EI 1558-2183
J9 IEEE T PARALL DISTR
JI IEEE Trans. Parallel Distrib. Syst.
PD JAN 1
PY 2017
VL 28
IS 1
BP 244
EP 259
DI 10.1109/TPDS.2016.2546248
PG 16
WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA EF9UJ
UT WOS:000390676100019
ER
PT J
AU Namhata, A
Zhang, LW
Dilmore, RM
Oladyshkin, S
Nakles, DV
AF Namhata, Argha
Zhang, Liwei
Dilmore, Robert M.
Oladyshkin, Sergey
Nakles, David V.
TI Modeling changes in pressure due to migration of fluids into the Above
Zone Monitoring Interval of a geologic carbon storage site
SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
LA English
DT Article
DE Geologic CO2 storage; CCS; Reduced order modeling; Risk assessment;
Monitoring; Reservoir simulations
ID DEEP SALINE AQUIFERS; CO2 STORAGE; NUMERICAL-SIMULATION;
RISK-ASSESSMENT; SEQUESTRATION; INJECTION; LEAKAGE; RESERVOIR; DIOXIDE;
SCALE
AB An increasing emphasis on the industrial-scale implementation of Carbon dioxide (CO2) storage in geological formations has led to the development of whole-system models to evaluate performance of candidate geologic storage sites and the environmental risk associated with them. Components of that engineered geologic system include the storage reservoir, overlying aquitards (primary caprock and secondary seals) and aquifers (including the above zone monitoring interval, or AZMI, directly overlying the primary seal), and potential leakage pathways including wells, fractures, and faults. Leakage of CO2 and brine through the primary seal to the overlying porous and permeable formations (AZMI) may occur due to the seal's intrinsic permeability and/or the presence of natural fractures or induced perforations or fractures in the caprock. AZMI monitoring may provide a potentially useful source of information about seal performance and subsurface pressure response to potential CO2 and/or brine leakage from the reservoir. Unfortunately, full complexity simulations of the geologic storage system are not computationally affordable, especially given the need to develop many realizations to evaluate uncertainties in system performance. Thus, the goal of the current work is to present a novel reduced order model (ROM) for AZMI that simulates fluid (i.e., CO2 and brine) flow above the seal, and verify performance of the ROM. The AZMI model predicts spatial changes in pressure over time in the zone above the primary seal due to migration of fluids from the reservoir. A case is examined wherein CO2 is injected into a storage reservoir for 30 years and a heterogeneous primary seal exists above the reservoir with some permeable zones. The model results are verified against those of a numerical simulator. The new AZMI model provides an improvement in computation time by a factor of approximately 2000 times to that of the numerical simulator and provides predictions that approximate those of the comparable numerical simulation. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Namhata, Argha; Nakles, David V.] Carnegie Mellon Univ, Dept Civil & Environm Engn, Pittsburgh, PA 15217 USA.
[Namhata, Argha; Zhang, Liwei; Dilmore, Robert M.] Natl Energy Technol Lab, Dept Energy, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA.
[Oladyshkin, Sergey] Univ Stuttgart, Dept Stochast Simulat & Safety Res Hydrosyst IWS, Stuttgart, Germany.
RP Namhata, A (reprint author), Carnegie Mellon Univ, Dept Civil & Environm Engn, Pittsburgh, PA 15217 USA.
EM argha.namhata@gmail.com
OI Namhata, Argha/0000-0001-6876-0733
FU U.S. Department of Energy's (DOE) Office of Fossil Energy's CCS and
Crosscutting Research Programs; Department of Civil and Environmental
Engineering; Bertucci fellowship program at Carnegie Mellon University;
Oak Ridge Institute for Science & Education (ORISE)
FX This work was completed as part of the National Risk Assessment
Partnership (NRAP) project. Support for this project came from the U.S.
Department of Energy's (DOE) Office of Fossil Energy's CCS and
Crosscutting Research Programs, by the Department of Civil and
Environmental Engineering and the Bertucci fellowship program at
Carnegie Mellon University, and by training fellowship through the Oak
Ridge Institute for Science & Education (ORISE). The authors would like
to thank Grant Bromhal, Traci Rodosta, Robert Romanosky, M. Kylee Rice,
and Steven Seachman of NETL and Mark Ackwiecz and Regis Conrad of U.S.
DOE, Fossil Energy for their technical direction and Programmatic
guidance; Mitchell Small and Athanasios Karamalidis of Carnegie Mellon
University; Seth King and Ernest Lindner of AECOM, Inc. at NETL, and
Ya-Mei Yang of NETL/ORISE at NETL for their valuable technical comments.
NR 57
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U1 3
U2 3
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 1750-5836
EI 1878-0148
J9 INT J GREENH GAS CON
JI Int. J. Greenh. Gas Control
PD JAN
PY 2017
VL 56
BP 30
EP 42
DI 10.1016/j.ijggc.2016.11.012
PG 13
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Environmental
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA EF6UR
UT WOS:000390466900004
ER
PT J
AU Sun, Y
Zhang, F
Ye, Z
Ding, ZJ
Mendelev, MI
Kramer, MJ
Wang, CZ
Ho, KM
AF Sun, Yang
Zhang, Feng
Ye, Zhuo
Ding, Zejun
Mendelev, Mikhail I.
Kramer, Matthew J.
Wang, Cai-Zhuang
Ho, Kai-Ming
TI Structural ordering at solid-liquid interfaces in Al-Sm system: A
molecular-dynamics study
SO MATERIALS LETTERS
LA English
DT Article
DE Solid-liquid interfaces; Structural ordering; Molecular dynamics
simulations; Al-Sm
ID SIMULATION; ALUMINUM; ALLOY
AB The structural ordering at solid-liquid interfaces far from equilibrium is studied with molecular dynamics simulations for the Al-Sm system. Using the van-Hove self-correlation function as the criterion to identify attachment/detachment events that occur at the interface, we are able to determine the time-dependent interface position, and characterize the detailed interfacial structure ordering surrounding the attached atoms. For the interface between an undercooled Al90Sm10 liquid and a metastable cubic structure, the solid induces the crystalline order of the cubic phase in the liquid layers, promoting the continuous growth of the crystal phase. When the same liquid is put in contact with f.c.c. Al, Sm from the liquid can still attach to the solid interface despite its insolubility in the Al lattice. Non-f.c.c. order is revealed surrounding the attached Sm atoms. We show that the local structure ordering at interface is highly correlated to solid packing and liquid ordering.
C1 [Sun, Yang; Ding, Zejun; Ho, Kai-Ming] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China.
[Sun, Yang; Ding, Zejun; Ho, Kai-Ming] Univ Sci & Technol China, Dept Phys, Hefei 230026, Anhui, Peoples R China.
[Sun, Yang; Zhang, Feng; Ye, Zhuo; Mendelev, Mikhail I.; Kramer, Matthew J.; Wang, Cai-Zhuang; Ho, Kai-Ming] US DOE, Ames Lab, Ames, IA 50011 USA.
[Wang, Cai-Zhuang; Ho, Kai-Ming] Iowa State Univ, Dept Phys, Ames, IA 50011 USA.
RP Ho, KM (reprint author), Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China.; Ho, KM (reprint author), Univ Sci & Technol China, Dept Phys, Hefei 230026, Anhui, Peoples R China.; Zhang, F; Ho, KM (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA.; Ho, KM (reprint author), Iowa State Univ, Dept Phys, Ames, IA 50011 USA.
EM fzhang@ameslab.gov; kmh@ameslab.gov
OI Sun, Yang/0000-0002-4344-2920
FU US Department of Energy, Basic Energy Sciences, Division of Materials
Science and Engineering [DE-AC02-07CH11358]; National Natural Science
Foundation of China [11274288]; National Basic Research Program of China
[2011CB932801, 2012CB933702]
FX Work at Ames Laboratory was supported by the US Department of Energy,
Basic Energy Sciences, Division of Materials Science and Engineering,
under Contract No. DE-AC02-07CH11358, including a grant of computer time
at the National Energy Research Supercomputing Center (NERSC) in
Berkeley, CA. Z.J.D. acknowledges support from the National Natural
Science Foundation of China (No. 11274288) and the National Basic
Research Program of China (No. 2011CB932801 and No. 2012CB933702).
NR 31
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U1 9
U2 9
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0167-577X
EI 1873-4979
J9 MATER LETT
JI Mater. Lett.
PD JAN 1
PY 2017
VL 186
BP 26
EP 29
DI 10.1016/j.matlet.2016.07.046
PG 4
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA EF7FC
UT WOS:000390494500006
ER
PT J
AU Zhu, ZW
Wang, YD
Hao, YL
Liu, JP
Zhang, QH
Li, RG
Wang, HL
Ren, Y
AF Zhu, Zhaowei
Wang, Yandong
Hao, Yulin
Liu, Jiapeng
Zhang, Qinghua
Li, Runguang
Wang, Haoliang
Ren, Yang
TI Novel elastic deformation mechanism in multifunctional Ti-Nb alloy
SO MATERIALS LETTERS
LA English
DT Article
DE Titanium alloys; High-energy X-ray diffraction; Compression test;
Elastic behavior
ID PLASTIC-DEFORMATION; SUPERELASTICITY; SCATTERING
AB In-situ high-energy X-ray diffraction was used to reveal a novel elastic deformation mechanism of the polycrystalline Ti-24Nb-4Zr-8Sn alloy under uniaxial compression. These experiments of polycrystal provide direct evidence on anomalous change in full widths at half maximum for {110}beta peak during elastic deformation, i.e. peak broadening during unloading and peak narrowing upon loading, which is attributed to the formation of stress-induced irreversible ? phase as clearly demonstrated in single crystal during compression. Difference in modulus between omega and beta phases induces different change in lattice strain causing the broadening and narrowing of diffraction peak near {110}(beta) where actually contains {1120}(omega) under different applied stress. This study offers new perspectives to investigate intrinsic mechanism on specific phase transformation during elastic deformation.
C1 [Zhu, Zhaowei; Wang, Yandong; Li, Runguang] Univ Sci & Technol Beijing, State Key Lab Adv Met & Mat, Beijing 100083, Peoples R China.
[Hao, Yulin; Wang, Haoliang] Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China.
[Liu, Jiapeng; Zhang, Qinghua] Beijing Inst Technol, Sch Mat Sci & Engn, Beijing 100081, Peoples R China.
[Ren, Yang] Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Wang, YD (reprint author), Univ Sci & Technol Beijing, State Key Lab Adv Met & Mat, Beijing 100083, Peoples R China.
EM ydwang@ustb.edu.cn
RI wang, yandong/G-9404-2013
FU National Natural Science Foundation of China (NSFC) [51471032,
51527801]; National Basic Research Program of China (973 Program)
[2012CB619405]; Fundamental Research Funds for the Centre Universities
[06111020]; State Key Laboratory for Advanced Metals and Materials
[2016Z-01, 2016Z-12, 2016Z-19]
FX This work was supported by National Natural Science Foundation of China
(NSFC) (Grant no.s 51471032 and 51527801), the National Basic Research
Program of China (973 Program) under Contract no 2012CB619405, the
Fundamental Research Funds for the Centre Universities (Grant no.
06111020), and the fundamental research fund at the State Key Laboratory
for Advanced Metals and Materials (2016Z-01, 2016Z-12, 2016Z-19).
NR 13
TC 0
Z9 0
U1 8
U2 8
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0167-577X
EI 1873-4979
J9 MATER LETT
JI Mater. Lett.
PD JAN 1
PY 2017
VL 186
BP 378
EP 381
DI 10.1016/j.matlet.2016.10.042
PG 4
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA EF7FC
UT WOS:000390494500098
ER
PT J
AU Kohnert, AA
Wirth, BD
AF Kohnert, Aaron A.
Wirth, Brian D.
TI Grouping techniques for large-scale cluster dynamics simulations of
reaction diffusion processes
SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
LA English
DT Article
DE cluster dynamics; radiation damage; point defect kinetics
ID SUPERSATURATED LATTICE VACANCIES; ONE-DIMENSIONAL DIFFUSION;
DISPLACEMENT CASCADES; MOLECULAR-DYNAMICS; DAMAGE ACCUMULATION; VOID
NUCLEATION; FERRITIC ALLOYS; BINARY-ALLOYS; ALPHA-FE; IRON
AB Cluster dynamics is a powerful, high fidelity, mesoscale method for modeling the kinetic evolution of point defects, impurities, and their clusters in materials and is commonly used in studying radiation damage. These methods excel at modeling nucleation, but often require too many equations to successfully model the long term growth and coarsening that govern microstructural evolution. One solution to this problem is to group equations into a coarser approximation of the cluster size distribution function which can reduce the cost of solution by many orders of magnitude. While such grouping methods have been advanced for a limited class of problems, no reliable method currently exists for the general case. This paper advances a framework for grouping arbitrary cluster dynamics problems, and develops several competing schemes based on that framework. These schemes are each evaluated against a variety of test problems designed to assess their accuracy, robustness, and efficiency.
C1 [Kohnert, Aaron A.; Wirth, Brian D.] Univ Tennessee, Knoxville, TN 37996 USA.
[Wirth, Brian D.] Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
RP Kohnert, AA (reprint author), Univ Tennessee, Knoxville, TN 37996 USA.
EM aakohnert@gmail.com
FU US Department of Energy, Office of Fusion Energy Sciences
[DOE-DE-SC0006661]; Office of Nuclear Energy
FX The authors acknowledge financial support from the US Department of
Energy, Office of Fusion Energy Sciences through award DOE-DE-SC0006661,
as well as the Office of Nuclear Energy through the Nuclear Energy
University Programs (NEUP), Integrated Research Project (IRP), and the
Nuclear Energy Advanced Modeling and Simulation (NEAMS) program.
NR 36
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Z9 0
U1 6
U2 6
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0965-0393
EI 1361-651X
J9 MODEL SIMUL MATER SC
JI Model. Simul. Mater. Sci. Eng.
PD JAN
PY 2017
VL 25
IS 1
AR 015008
DI 10.1088/1361-651X/25/1/015008
PG 23
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA EF8ER
UT WOS:000390562200004
ER
PT J
AU Monazam, ER
Breault, RW
Weber, J
Layfield, K
AF Monazam, Esmail R.
Breault, Ronald W.
Weber, Justin
Layfield, Ky
TI Elutriation of fines from binary particle mixtures in bubbling fluidized
bed cold model
SO POWDER TECHNOLOGY
LA English
DT Article
DE Elutriation; Binary mixture, bimodal distribution
ID CHEMICAL-LOOPING COMBUSTION; OXYGEN CARRIERS; ENTRAINMENT; FREEBOARD
AB The elutriation of fine particles from a binary mixture of particles with different densities and diameters has been investigated in bubbling fluidized bed (BFB). A series of experiments were conducted in a 10 cm diameter, 170 cm tall cylindrical bubbling fluidized bed under various operating conditions. Bed materials with different particle sizes, ranging from 93 pm to 1000 pm powder, and particle densities ranging from 7.9 to 2.45 g/cm(3) were used in these experiments. Various combinations of these solids were mixed and fluidized at several superficial gas velocities. Solid elutriation was measured by collecting the carryover solids exiting the column with a filter. Experimental data on the effects of particle density, particle size, and gas velocity on the elutriation of particles from bubbling fluidized bed of binary mixture are examined. Influence of weight fraction of fines inthe binary mixture on coarse particles was also investigated and discussed. The results indicated that the elutriation rate constant increases with increasing superficial gas velocities and weight fraction of fines in the bed. A generalized correlation for the elutriation rate constant is proposed using the ratio of U-g/U-r, weight fraction of fines, and fines to coarse particle density ratio. Published by Elsevier B.V.
C1 [Breault, Ronald W.; Weber, Justin] US DOE, Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26507 USA.
[Monazam, Esmail R.; Layfield, Ky] REM Engn Serv PLLC, 3537 Collins Ferry Rd, Morgantown, WV 26507 USA.
RP Breault, RW (reprint author), US DOE, Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26507 USA.
EM ronald.breault@netl.doe.gov
FU Department of Energy
FX The authors acknowledge the Department of Energy for funding the
research through the office of Fossil Energy's Gasification Technology
and Advanced Research funding programs. Special thanks go to Douglas
Straub, and Joseph S. Mei for their assistance with experimental work
and data.
NR 29
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Z9 0
U1 7
U2 7
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0032-5910
EI 1873-328X
J9 POWDER TECHNOL
JI Powder Technol.
PD JAN
PY 2017
VL 305
BP 340
EP 346
DI 10.1016/j.powtec.2016.09.046
PG 7
WC Engineering, Chemical
SC Engineering
GA EG0OL
UT WOS:000390732000038
ER
PT J
AU Hashem, J
Schneider, E
Pryor, M
Landsberger, S
AF Hashem, Joseph
Schneider, Erich
Pryor, Mitch
Landsberger, Sheldon
TI Theoretical neutron damage calculations in industrial robotic
manipulators used for non-destructive imaging applications
SO PROGRESS IN NUCLEAR ENERGY
LA English
DT Article
DE Neutron radiation damage; MCNP; Radiography; Non-destructive testing;
Robotics; Research reactor
AB This paper describes how to use MCNP to evaluate the rate of material damage in a robot incurred by exposure to a neutron flux. The example used in this work is that of a robotic manipulator installed in a high intensity, fast, and collimated neutron radiography beam port at the University of Texas at Austin's TRIGA Mark II research reactor. This effort includes taking robotic technologies and using them to automate non-destructive imaging tasks in nuclear facilities where the robotic manipulator acts as the motion control system for neutron imaging tasks. Simulated radiation tests are used to analyze the radiation damage to the robot. Once the neutron damage is calculated using MCNP, several possible shielding materials are analyzed to determine the most effective way of minimizing the neutron damage. Neutron damage predictions provide users the means to simulate geometrical and material changes, thus saving time, money, and energy in determining the optimal setup for a robotic system installed in a radiation environment. Published by Elsevier Ltd.
C1 [Hashem, Joseph] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
[Hashem, Joseph; Schneider, Erich; Pryor, Mitch; Landsberger, Sheldon] Univ Texas Austin, Austin, TX 78712 USA.
RP Hashem, J (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM jhashem@lanl.gov
NR 20
TC 0
Z9 0
U1 9
U2 9
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0149-1970
J9 PROG NUCL ENERG
JI Prog. Nucl. Energy
PD JAN
PY 2017
VL 94
BP 71
EP 79
DI 10.1016/j.pnucene.2016.09.022
PG 9
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EF7MR
UT WOS:000390514200007
ER
PT J
AU Zou, L
Zhao, HH
Kim, SJ
AF Zou, Ling
Zhao, Haihua
Kim, Seung Jun
TI Numerical study on the Welander oscillatory natural circulation problem
using high-order numerical methods
SO PROGRESS IN NUCLEAR ENERGY
LA English
DT Article
DE Welander problem; High-order numerical methods; Stability map
ID NEWTON-KRYLOV METHOD; 2-PHASE FLOW PROBLEMS; STABILITY BOUNDARIES; LOOP;
MODEL; IMPLEMENTATION; PREDICTION; VALIDATION; SCHEME
AB In this paper, high-order numerical methods are investigated in a system analysis-like code. The classical Welander oscillatory natural circulation problem, which resembles a simplified example for many types of natural circulation loops widely seen in nuclear reactor systems, was chosen to illustrate the applicability of such methods in system analysis codes, and to demonstrate the advantages of such methods over the low-order methods widely used in existing system analysis codes. As originally studied by Welander, the fluid motion in a differentially heated fluid loop can exhibit stable, weakly unstable, and strongly unstable modes. A theoretical stability map has also been originally derived from the stability analysis. Numerical results obtained in this paper show very good agreement with Welandefs theoretical derivations. For stable cases, numerical results from both the high-order and low-order numerical methods agree well with the non-dimensional flow rate that were analytically derived. The high-order numerical methods give much less numerical errors compared to those using low-order numerical methods. For stability analysis, the high-order numerical methods perfectly predicted the stability map even with coarse mesh and large time step, while the low-order numerical methods failed to do so unless very fine mesh and time step are used. The result obtained in this paper is a strong evidence for the benefits of using high-order numerical methods over the low-order ones, when they are applied to simulate natural circulation phenomenon that has already gained increasing interests in many existing and advanced nuclear reactor designs. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Zou, Ling; Zhao, Haihua] Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA.
[Kim, Seung Jun] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
RP Zou, L (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA.
OI Zou, Ling/0000-0003-0664-0474
NR 31
TC 0
Z9 0
U1 1
U2 1
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0149-1970
J9 PROG NUCL ENERG
JI Prog. Nucl. Energy
PD JAN
PY 2017
VL 94
BP 162
EP 172
DI 10.1016/j.pnucene.2016.09.021
PG 11
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EF7MR
UT WOS:000390514200015
ER
PT J
AU Green, MA
Emery, K
Hishikawa, Y
Warta, W
Dunlop, ED
Levi, DH
Ho-Baillie, AWY
AF Green, Martin A.
Emery, Keith
Hishikawa, Yoshihiro
Warta, Wilhelm
Dunlop, Ewan D.
Levi, Dean H.
Ho-Baillie, Anita W. Y.
TI Solar cell efficiency tables (version 49)
SO PROGRESS IN PHOTOVOLTAICS
LA English
DT Article
DE solar cell efficiency; photovoltaic efficiency; energy conversion
efficiency
ID CONCENTRATOR; CONVERSION
AB Consolidated tables showing an extensive listing of the highest independently confirmed efficiencies for solar cells and modules are presented. Guidelines for inclusion of results into these tables are outlined, and new entries since June 2016 are reviewed. Copyright (c) 2016 John Wiley & Sons, Ltd.
C1 [Green, Martin A.; Ho-Baillie, Anita W. Y.] Univ New South Wales, Australian Ctr Adv Photovolta, Sydney, NSW 2052, Australia.
[Emery, Keith; Levi, Dean H.] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Denver, CO 80401 USA.
[Hishikawa, Yoshihiro] Natl Inst Adv Ind Sci & Technol, Res Ctr Photovolta RCPV, Cent 2,Umezono 1-1-1, Tsukuba, Ibaraki 3058568, Japan.
[Warta, Wilhelm] Fraunhofer Inst Solar Energy Syst, Dept Characterisat & Simulat, CalLab Cells, Heidenhofstr 2, D-79110 Freiburg, Germany.
[Dunlop, Ewan D.] European Commiss Joint Res Ctr, Renewable Energy Unit, Inst Energy, Via E Fermi 2749, IT-21027 Ispra, VA, Italy.
RP Green, MA (reprint author), Univ New South Wales, Sch Photovolta & Renewable Energy Engn, Sydney, NSW 2052, Australia.
EM m.green@unsw.edu.au
FU Australian Government through the Australian Renewable Energy Agency
(ARENA); U.S. Department of Energy [DE-AC36-08-GO28308]; National
Renewable Energy Laboratory; Japanese New Energy and Industrial
Technology Development Organisation (NEDO) under the Ministry of
Economy, Trade and Industry (METI)
FX The Australian Centre for Advanced Photovoltaics commenced operation in
February 2013 with support from the Australian Government through the
Australian Renewable Energy Agency (ARENA). The Australian Government
does not accept responsibility for the views, information or advice
expressed herein. The work by K.Emery was supported by the U.S.
Department of Energy under Contract No. DE-AC36-08-GO28308 with the
National Renewable Energy Laboratory. The work at AIST was supported in
part by the Japanese New Energy and Industrial Technology Development
Organisation (NEDO) under the Ministry of Economy, Trade and Industry
(METI).
NR 52
TC 1
Z9 1
U1 84
U2 84
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1062-7995
EI 1099-159X
J9 PROG PHOTOVOLTAICS
JI Prog. Photovoltaics
PD JAN
PY 2017
VL 25
IS 1
BP 3
EP 13
DI 10.1002/pip.2855
PG 11
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA EG1OP
UT WOS:000390802400001
ER
PT J
AU Xiao, CX
Jiang, CS
Moutinho, H
Levi, D
Yan, YF
Gorman, B
Al-Jassim, M
AF Xiao, Chuanxiao
Jiang, Chun-Sheng
Moutinho, Helio
Levi, Dean
Yan, Yanfa
Gorman, Brian
Al-Jassim, Mowafak
TI Locating the electrical junctions in Cu(In,Ga)Se-2 and Cu2ZnSnSe4 solar
cells by scanning capacitance spectroscopy
SO PROGRESS IN PHOTOVOLTAICS
LA English
DT Article
DE electrical junction location; CIGS; CZTS; scanning capacitance
spectroscopy; homojunction; heterointerface
ID MICROSCOPY; DELINEATION; DEVICES
AB We determined the electrical junction (EJ) locations in Cu(In,Ga)Se-2 (CIGS) and Cu2ZnSnSe4 (CZTS) solar cells with similar to 20-nm accuracy by developing scanning capacitance spectroscopy (SCS) applicable to the thin-film devices. Cross-sectional sample preparation for the SCS measurement was developed by high-energy ion milling at room temperature for polishing the cross section to make it flat, followed by low-energy ion milling at liquid nitrogen temperature for removing the damaged layer and subsequent annealing for growing a native oxide layer. The SCS shows distinct p-type, transitional, and n-type spectra across the devices, and the spectral features change rapidly with location in the depletion region, which results in determining the EJ with similar to 20-nm resolution. We found an n-type CIGS in the region next to the CIGS/CdS interface; thus, the cell is a homojunction. The EJ is similar to 40nm from the interface on the CIGS side. In contrast, such an n-type CZTS was not found in the CZTS/CdS cells. The EJ is similar to 20nm from the CZTS/CdS interface, which is consistent with asymmetrical carrier concentrations of the p-CZTS and n-CdS in a heterojunction cell. Our results of unambiguously determination of the junction locations contribute significantly to understanding the large open-circuit voltage difference between CIGS and CZTS. Copyright (c) 2016 John Wiley & Sons, Ltd.
C1 [Xiao, Chuanxiao; Jiang, Chun-Sheng; Moutinho, Helio; Levi, Dean; Al-Jassim, Mowafak] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
[Xiao, Chuanxiao; Gorman, Brian] Colorado Sch Mines, Golden, CO 80401 USA.
[Yan, Yanfa] Univ Toledo, Toledo, OH 43606 USA.
RP Jiang, CS (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM Chun.Sheng.Jiang@nrel.gov
FU US Department of Energy [DE-AC36-08GO28308]; National Renewable Energy
Laboratory
FX The authors thank Bobby To for taking the SEM images, Drs. Lorelle
Mansfield and Ingrid Repins for providing CIGS and CZTS samples, and Dr.
Arrelaine Dameron for growing the Al2O3 layers by
ALD, and Dr. Craig Perkins for X-ray photoelectron spectroscopy
measurements. This work was supported by the US Department of Energy
under contract no. DE-AC36-08GO28308 with the National Renewable Energy
Laboratory.
NR 16
TC 1
Z9 1
U1 12
U2 12
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1062-7995
EI 1099-159X
J9 PROG PHOTOVOLTAICS
JI Prog. Photovoltaics
PD JAN
PY 2017
VL 25
IS 1
BP 33
EP 40
DI 10.1002/pip.2805
PG 8
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA EG1OP
UT WOS:000390802400004
ER
PT J
AU Bobela, DC
Gedvilas, L
Woodhouse, M
Horowitz, KAW
Basore, PA
AF Bobela, David C.
Gedvilas, Lynn
Woodhouse, Michael
Horowitz, Kelsey A. W.
Basore, Paul A.
TI Economic competitiveness of III-V on silicon tandem one-sun photovoltaic
solar modules in favorable future scenarios
SO PROGRESS IN PHOTOVOLTAICS
LA English
DT Article
DE III-V on Si; tandem solar cell; Multijunction solar cell; Balance of
system costs; Total system costs
ID COST; CELL
AB Tandem modules combining a III-V top cell with a Si bottom cell offer the potential to increase the solar energy conversion efficiency of one-sun photovoltaic modules beyond 25%, while fully utilizing the global investment that has been made in Si photovoltaics manufacturing. At present, the cost of III-V cells is far too high for this approach to be competitive for one-sun terrestrial power applications. We investigated the system-level economic benefits of both GaAs/Si and InGaP/Si tandem modules in favorable future scenarios where the cost of III-V cells is substantially reduced, perhaps to less than the cost of Si cells. We found, somewhat unexpectedly, that these tandems can reduce installed system cost only when the area-related balance-of-system cost is high, such as for area-constrained residential rooftop systems in the USA. When area-related balance-of-system cost is lower, such as for utility-scale systems, the tandem module offers no benefit. This is because a system using tandem modules is more expensive than one using single-junction Si modules when III-V cells are expensive, and a system using tandem modules is more expensive than one using single-junction III-V modules when III-V cells are inexpensive. Copyright (c) 2016 John Wiley & Sons, Ltd.
C1 [Bobela, David C.; Gedvilas, Lynn; Woodhouse, Michael; Horowitz, Kelsey A. W.; Basore, Paul A.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Bobela, DC (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM david.bobela@nrel.gov
FU U.S. Department of Energy [DE-AC36-08GO28308]; DE-AC36-08GO28308; DOE
Office of Energy Efficiency and Renewable Energy Solar Energy
Technologies Program [DE-EE00025784]
FX This work was supported by the U.S. Department of Energy under contract
no. DE-AC36-08GO28308 with the National Renewable Energy Laboratory.
Funding was provided by the DOE Office of Energy Efficiency and
Renewable Energy Solar Energy Technologies Program under agreement
number DE-EE00025784 for "PV Partnering & Business Development."
NR 18
TC 2
Z9 2
U1 8
U2 8
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1062-7995
EI 1099-159X
J9 PROG PHOTOVOLTAICS
JI Prog. Photovoltaics
PD JAN
PY 2017
VL 25
IS 1
BP 41
EP 48
DI 10.1002/pip.2808
PG 8
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA EG1OP
UT WOS:000390802400005
ER
PT J
AU Tracy, J
Bosco, N
Novoa, F
Dauskardt, R
AF Tracy, Jared
Bosco, Nick
Novoa, Fernando
Dauskardt, Reinhold
TI Encapsulation and backsheet adhesion metrology for photovoltaic modules
SO PROGRESS IN PHOTOVOLTAICS
LA English
DT Article
DE adhesion; reliability; delamination; photovoltaic; encapsulation;
backsheet
ID PACKAGING MATERIALS; STRESS-TRANSFER; FRACTURE; MATRIX; COMPOSITES;
CRACKS; FAILURE; ENERGY
AB Photovoltaic modules are designed to operate for decades in terrestrial environments. However, mechanical stress, moisture, and ultraviolet radiation eventually degrade protective materials in modules, particularly their adhesion properties, eventually leading to reduced solar cell performance. Despite the significance of interfacial adhesion to module durability, currently there is no reliable technique for characterizing module adhesion properties. We present a simple and reproducible metrology for characterizing adhesion in photovoltaic modules that is grounded in fundamental concepts of beam and fracture mechanics. Using width-tapered cantilever beam fracture specimens, interfacial adhesion was evaluated on relevant interfaces of encapsulation and backsheet structures of new and 27-year-old historic modules. The adhesion energy, G(c) [J/m(2)], was calculated from the critical value of the strain energy release rate, G, using G=P-2, where (a mechanical and geometric parameter of the fracture specimen) and P (the experimentally measured critical load) are constants. Under some circumstances where testing may result in cracking of brittle layers in the test specimen, measurement of the delamination length in addition to the critical load was necessary to determine G. Relative to new module materials, backsheet adhesion was 95% and 98% lower for historic modules that were exposed (operated in the field) and unexposed (stored on-site, but out of direct sunlight), respectively. Encapsulation adhesion was 87-94% lower in the exposed modules and 31% lower in the unexposed module. The metrology presented here can be used to improve module materials and assess long-term reliability. Copyright (c) 2016 John Wiley & Sons, Ltd.
C1 [Tracy, Jared; Novoa, Fernando; Dauskardt, Reinhold] Stanford Univ, Dept Mat Sci & Engn, 496 Lomita Mall,Rm 121, Stanford, CA 94305 USA.
[Bosco, Nick] Natl Renewable Energy Lab, Golden, CO USA.
RP Dauskardt, R (reprint author), Stanford Univ, Dept Mat Sci & Engn, 496 Lomita Mall,Rm 121, Stanford, CA 94305 USA.
EM rhd@stanford.edu
FU Department of Energy through the Bay Area Photovoltaic Consortium
[DE-EE0004946]; U.S. Department of Energy [DE-AC36-08GO28308]; National
Renewable Energy Laboratory; U.S. DOE Office of Energy Efficiency and
Renewable Energy Solar Energy Technologies Program
FX This material is based upon work supported by the Department of Energy
through the Bay Area Photovoltaic Consortium under Award Number
DE-EE0004946 and the U.S. Department of Energy under Contract No.
DE-AC36-08GO28308 with the National Renewable Energy Laboratory. Funding
provided by the U.S. DOE Office of Energy Efficiency and Renewable
Energy Solar Energy Technologies Program.
NR 37
TC 0
Z9 0
U1 1
U2 1
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1062-7995
EI 1099-159X
J9 PROG PHOTOVOLTAICS
JI Prog. Photovoltaics
PD JAN
PY 2017
VL 25
IS 1
BP 87
EP 96
DI 10.1002/pip.2817
PG 10
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA EG1OP
UT WOS:000390802400010
ER
PT J
AU Hartse, H
AF Hartse, Hans
TI Allan R. Sanford (1927-2016) In Memoriam
SO SEISMOLOGICAL RESEARCH LETTERS
LA English
DT Biographical-Item
C1 [Hartse, Hans] Los Alamos Natl Lab, Geophys Grp, MS F665, Los Alamos, NM 87545 USA.
RP Hartse, H (reprint author), Los Alamos Natl Lab, Geophys Grp, MS F665, Los Alamos, NM 87545 USA.
EM hartse@lanl.gov
NR 1
TC 0
Z9 0
U1 0
U2 0
PU SEISMOLOGICAL SOC AMER
PI ALBANY
PA 400 EVELYN AVE, SUITE 201, ALBANY, CA 94706-1375 USA
SN 0895-0695
EI 1938-2057
J9 SEISMOL RES LETT
JI Seismol. Res. Lett.
PD JAN
PY 2017
VL 88
IS 1
BP 4
EP 5
DI 10.1785/0220160198
PG 2
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA EG1IH
UT WOS:000390785200002
ER
PT J
AU Bockholt, BM
AF Bockholt, Blaine M.
TI Instrument Response and Self-Noise Analysis of Dataloggers at the Idaho
National Laboratory
SO SEISMOLOGICAL RESEARCH LETTERS
LA English
DT Article
AB This article describes the performance tests of three different digitizers that are currently in use by the Idaho National Laboratory seismic network and other seismic networks worldwide. The three digitizers are the PAR4CH from Symmetric Research, and the DAQ24USB-5V and DAQ24USB-XR from DAQSystems Inc. The theoretical response of each digitizer is discussed, followed by a description of how the filter coefficients were calculated. The empirically determined sensitivities are compared with the sensitivities reported by the manufacturers. Noise measurements were conducted to better understand the limitations of these digitizers. The digital filters used by all three digitizers are a combination of various sinc N filters; therefore, the filter coefficients were calculated by the convolution of N unit rectangle functions. The sensitivity as a function of the gain was measured and compared with the reported manufacturer's sensitivities. The DAQ24USB-5V and DAQ24USB-XR boards are highly accurate (< 0: 6%) for gain settings between 1 and 16 but less accurate (> 1%) for the higher gain settings of 32 and 64. The PAR4CH board is the least accurate (similar to 5%) of the three boards in this study. Noise measurements indicate that at lower sampling rates, 100 samples per second, the DAQ24USB-5Vshows the lowest self-noise and is flat from 1 to 20 Hz, whereas the DAQ24USB-XR has higher self-noise at lower frequencies but is flat after 10 Hz. The PAR4CH has the flattest noise model, but the self-noise is about 30 dB greater than that of the DAQ24USB-5V. At higher sample rates, around 500 samples per second, the DAQ24USB is very flat up to about 200 Hz, after which it begins to drop, whereas the DAQ24USB-XR is relatively flat from 10 Hz till Nyquist, thus indicating that the DAQ24USB-XR is more suitable for applications that require higher sampling rates.
C1 [Bockholt, Blaine M.] Idaho Natl Lab, MS 2203,POB 1625, Idaho Falls, ID 83415 USA.
RP Bockholt, BM (reprint author), Idaho Natl Lab, MS 2203,POB 1625, Idaho Falls, ID 83415 USA.
EM blaine.bockholt@inl.gov
NR 23
TC 0
Z9 0
U1 2
U2 2
PU SEISMOLOGICAL SOC AMER
PI ALBANY
PA 400 EVELYN AVE, SUITE 201, ALBANY, CA 94706-1375 USA
SN 0895-0695
EI 1938-2057
J9 SEISMOL RES LETT
JI Seismol. Res. Lett.
PD JAN
PY 2017
VL 88
IS 1
BP 104
EP 112
DI 10.1785/0220160092
PG 9
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA EG1IH
UT WOS:000390785200013
ER
PT J
AU Arutt, CN
Alles, ML
Liao, WJ
Gong, HQ
Davidson, JL
Schrimpf, RD
Reed, RA
Weller, RA
Bolotin, K
Nicholl, R
Pham, TT
Zettl, A
Du, QY
Hu, JJ
Li, M
Alphenaar, BW
Lin, JT
Shurva, PD
McNamara, S
Walsh, KM
Feng, PXL
Hutin, L
Ernst, T
Homeijer, BD
Polcawich, RG
Proie, RM
Jones, JL
Glaser, ER
Cress, CD
Bassiri-Gharb, N
AF Arutt, Charles N.
Alles, Michael L.
Liao, Wenjun
Gong, Huiqi
Davidson, Jim L.
Schrimpf, Ronald D.
Reed, Robert A.
Weller, Robert A.
Bolotin, Kirill
Nicholl, Ryan
Thang Toan Pham
Zettl, Alex
Du Qingyang
Hu, Juejun
Li, Mo
Alphenaar, Bruce W.
Lin, Ji-Tzuoh
Shurva, Pranoy Deb
McNamara, Shamus
Walsh, Kevin M.
Feng, Philip X-L
Hutin, Louis
Ernst, Thomas
Homeijer, Brian D.
Polcawich, Ronald G.
Proie, Robert M.
Jones, Jacob L.
Glaser, Evan R.
Cress, Cory D.
Bassiri-Gharb, Nazanin
TI The study of radiation effects in emerging micro and nano electro
mechanical systems (M and NEMs)
SO SEMICONDUCTOR SCIENCE AND TECHNOLOGY
LA English
DT Review
DE MEMS; NEMS; radiation effects; silicon carbide (SiC); 2D materials;
micromachined cantilevers
ID MEMS ACCELEROMETERS; MICROELECTROMECHANICAL SYSTEMS; IONIZING-RADIATION;
ELASTIC PROPERTIES; LOGIC RELAYS; GRAPHENE; SILICON; SWITCHES; DEVICES;
TRANSDUCERS
AB The potential of micro and nano electromechanical systems (M and NEMS) has expanded due to advances in materials and fabrication processes. A wide variety of materials are now being pursued and deployed for M and NEMS including silicon carbide (SiC), III-V materials, thinfilm piezoelectric and ferroelectric, electro-optical and 2D atomic crystals such as graphene, hexagonal boron nitride (h-BN), and molybdenum disulfide (MoS2). The miniaturization, functionality and low-power operation offered by these types of devices are attractive for many application areas including physical sciences, medical, space and military uses, where exposure to radiation is a reliability consideration. Understanding the impact of radiation on these materials and devices is necessary for applications in radiation environments.
C1 [Arutt, Charles N.; Alles, Michael L.; Liao, Wenjun; Gong, Huiqi; Davidson, Jim L.; Schrimpf, Ronald D.; Reed, Robert A.; Weller, Robert A.] Vanderbilt Univ, Dept Elect Engn & Comp Sci, Nashville, TN 37235 USA.
[Bolotin, Kirill; Nicholl, Ryan] Vanderbilt Univ, Dept Phys, Nashville, TN 37235 USA.
[Thang Toan Pham; Zettl, Alex] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Du Qingyang; Hu, Juejun] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA.
[Li, Mo] Univ Minnesota, Dept Elect & Comp Engn, Minneapolis, MN 55455 USA.
[Alphenaar, Bruce W.; Lin, Ji-Tzuoh; Shurva, Pranoy Deb; McNamara, Shamus; Walsh, Kevin M.] Univ Louisville, Dept Elect & Comp Engn, Louisville, KY 40292 USA.
[Feng, Philip X-L] Case Western Reserve Univ, Dept Elect & Comp Engn, Cleveland, OH 44106 USA.
[Hutin, Louis; Ernst, Thomas] CEA Leti, MINATEC Campus, 17 Rue Martyrs, F-38054 Grenoble 9, France.
[Homeijer, Brian D.] Sandia Natl Labs, Albuquerque, NM 87123 USA.
[Polcawich, Ronald G.; Proie, Robert M.] Army Res Lab, Adelphi, MD 20783 USA.
[Jones, Jacob L.] North Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA.
[Glaser, Evan R.; Cress, Cory D.] Naval Res Lab, Elect Sci & Technol Div, Washington, DC 20375 USA.
[Bassiri-Gharb, Nazanin] Georgia Inst Technol, GWoodruff Sch Mech Engn, Atlanta, GA 30332 USA.
[Bassiri-Gharb, Nazanin] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA.
RP Arutt, CN (reprint author), Vanderbilt Univ, Dept Elect Engn & Comp Sci, Nashville, TN 37235 USA.
EM charles.n.arutt@vanderbilt.edu
OI Cress, Cory/0000-0001-7563-6693
FU Defense Threat Reduction Agency Basic Research Program
[HDTRA1-15-1-0027, HDTRA1-15-1-0035, HDTRA1-15-1-0036, HDTRA1-15-1-0039,
HDTRA1-15-1-0060]
FX This work is supported by the Defense Threat Reduction Agency Basic
Research Program, Grants number: HDTRA1-15-1-0027, HDTRA1-15-1-0035,
HDTRA1-15-1-0036, HDTRA1-15-1-0039, and HDTRA1-15-1-0060.
NR 85
TC 0
Z9 0
U1 18
U2 18
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0268-1242
EI 1361-6641
J9 SEMICOND SCI TECH
JI Semicond. Sci. Technol.
PD JAN
PY 2017
VL 32
IS 1
AR 013005
DI 10.1088/1361-6641/32/1/013005
PG 14
WC Engineering, Electrical & Electronic; Materials Science,
Multidisciplinary; Physics, Condensed Matter
SC Engineering; Materials Science; Physics
GA EG1ND
UT WOS:000390798600001
ER
PT J
AU Greene, DL
Khattak, AJ
Liu, J
Wang, X
Hopson, JL
Goeltz, R
AF Greene, David L.
Khattak, Asad J.
Liu, Jun
Wang, Xin
Hopson, Janet L.
Goeltz, Richard
TI What is the evidence concerning the gap between on-road and
Environmental Protection Agency fuel economy ratings?
SO TRANSPORT POLICY
LA English
DT Article
DE Test cycle; On-road; Fuel economy; Gap; My MPG
ID SELECTION BIAS; CONSUMPTION; DECISIONS
AB U.S. government fuel economy tests are used for two primary purposes: 1) to monitor automobile manufacturers' compliance with fuel economy and greenhouse gas emissions standards and 2) to inform consumers about the fuel economy of passenger cars and light trucks. This study analyzes a unique database of 75,000 fuel economy estimates self-reported by customers of the U.S. government website www.fueleconomy.gov to evaluate the effectiveness of the government's estimates for these two purposes. The analysis shows great variability in individuals' own fuel economy estimates relative to the official government estimates with a small bias relative to the sample average. For consumers, the primary limitation of government fuel economy estimates is imprecision for a given individual rather than bias relative to the average individual. The analysis also examines correlations between individuals' fuel economy estimates and specific technologies, vehicle class, driving style, method used to calculate fuel economy, manufacturer, and state. Gasoline, hybrid and diesel vehicles were separately evaluated. There is some evidence that the shortfall between test cycle fuel economy estimates (used to measure compliance with regulations) and in-use fuel economy estimates (such as those provided by customers of www.fueleconomy.gov) has been increasing since 2005. If this trend continues, it could affect the benefits realized by fuel economy and greenhouse gas emissions standards. A scientifically designed survey of in-use fuel economy is needed to insure that an unbiased sample is collected and that fuel economy is rigorously and consistently measured for all vehicles. The potential for information technology to enable more precise prediction of individual fuel economy should be explored.
C1 [Greene, David L.; Khattak, Asad J.] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA.
[Liu, Jun] Univ Texas Austin, Ctr Transportat Res, Austin, TX 78712 USA.
[Wang, Xin] Virginia Dept Transportat, Transportat & Mobil Planning Div, Richmond, VA USA.
[Hopson, Janet L.] Univ Tennessee, Dept Earth & Planetary Sci, Knoxville, TN 37996 USA.
[Goeltz, Richard] Oak Ridge Natl Lab, Ctr Transportat Anal, Oak Ridge, TN USA.
RP Khattak, AJ (reprint author), Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA.
EM dlgreene@utk.edu; akhattak@utk.edu; jun.liu@utexas.edu;
xin.wang@vdot.virginia.gov; jhopson@utk.edu; goeltzrt@ornl.gov
NR 40
TC 0
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U1 1
U2 1
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0967-070X
EI 1879-310X
J9 TRANSPORT POLICY
JI Transp. Policy
PD JAN
PY 2017
VL 53
BP 146
EP 160
DI 10.1016/j.tranpol.2016.10.002
PG 15
WC Economics; Transportation
SC Business & Economics; Transportation
GA EF9IA
UT WOS:000390642700015
ER
PT J
AU Marcon, V
Joseph, C
Carter, KE
Hedges, SW
Lopano, CL
Guthrie, GD
Hakala, JA
AF Marcon, Virginia
Joseph, Craig
Carter, Kimberly E.
Hedges, Sheila W.
Lopano, Christina L.
Guthrie, George D.
Hakala, J. Alexandra
TI Experimental insights into geochemical changes in hydraulically
fractured Marcellus Shale
SO APPLIED GEOCHEMISTRY
LA English
DT Article
DE Marcellus Shale; Hydraulic fracturing; Geochemical reactions; Barite;
Organic acids
ID SUPERCRITICAL CARBON-DIOXIDE; GAS EXTRACTION; WASTE-WATER; CO2 LEAKAGE;
FLUID; BRINE; MOBILIZATION; RESERVOIR; BARIUM; BIODEGRADATION
AB Hydraulic fracturing applied to organic-rich shales has significantly increased the recoverable volume of methane available for U.S. energy consumption. Fluid-shale reactions in the reservoir may affect longterm reservoir productivity and waste management needs through changes to fracture mineral composition and produced fluid chemical composition. We performed laboratory experiments with Marcellus Shale and lab-generated hydraulic fracturing fluid at elevated pressures and temperatures to evaluate mineral reactions and the release of trace elements into solution. Results from the experiment containing fracturing chemicals show evidence for clay and carbonate dissolution, secondary clay and anhydrite precipitation, and early-stage (24-48 h) fluid enrichment of certain elements followed by depletion in later stages (i.e. Al, Cd, Co, Cr, Cu, Ni, Sc, Zn). Other elements such as As, Fe, Mn, Sr, and Y increased in concentration and remained elevated throughout the duration of the experiment with fracturing fluid. Geochemical modeling of experimental fluid data indicates primary clay dissolution, and secondary formation of smectites and barite, after reaction with fracturing fluid. Changes in aqueous organic composition were observed, indicating organic additives may be chemically transformed or sequestered by the formation after hydraulic fracturing. The NaCl concentrations in our fluids are similar to measured concentrations in Marcellus Shale produced waters, showing that these experiments are representative of reservoir fluid chemistries and can provide insight on geochemical reactions that occur in the field. These results can be applied towards evaluating the evolution of hydraulically-fractured reservoirs, and towards understanding geochemical processes that control the composition of produced water from unconventional shales. Published by Elsevier Ltd.
C1 [Marcon, Virginia; Joseph, Craig; Carter, Kimberly E.] Oak Ridge Inst Sci & Educ, Natl Energy Technol Lab, Off Res & Dev, Pittsburgh, PA USA.
[Marcon, Virginia] Univ Wyoming, Dept Geol & Geophys, Laramie, WY 82071 USA.
[Hedges, Sheila W.] Natl Energy Technol Lab, Off Res & Dev, Pittsburgh, PA USA.
[Lopano, Christina L.; Hakala, J. Alexandra] Natl Energy Technol Lab, Res & Innovat Ctr, Pittsburgh, PA USA.
[Marcon, Virginia] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM USA.
[Marcon, Virginia] Penn State Univ, State Coll, PA USA.
[Carter, Kimberly E.] Univ Tennessee, Knoxville, TN USA.
RP Hakala, JA (reprint author), Natl Energy Technol Lab, Res & Innovat Ctr, Pittsburgh, PA USA.
EM Alexandra.Hakala@netl.doe.gov
FU agency of the United States Government
FX This report was prepared as an account of work sponsored by an agency of
the United States Government. Neither the United States Government nor
any agency thereof, nor any of their employees, makes any warranty,
express or implied, or assumes any legal liability of responsibility for
the accuracy, completeness, or usefulness of any information, apparatus,
product, or process disclosed, or represents that its use would not
infringe privately owned rights. Reference herein to any specific
commercial product, process, or service by trade name, trademark,
manufacturer, or otherwise does not necessarily constitute or imply its
endorsement, recommendation, or favoring by the United States Government
or any agency thereof. The views and opinions of authors expressed
herein do not necessarily state or reflect those of the United States
Government or any agency thereof.
NR 70
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U1 25
U2 25
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0883-2927
J9 APPL GEOCHEM
JI Appl. Geochem.
PD JAN
PY 2017
VL 76
BP 36
EP 50
DI 10.1016/j.apgeochem.2016.11.005
PG 15
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA EF3UU
UT WOS:000390250900004
ER
PT J
AU Levinthal, JD
Richards, B
Snow, MS
Watrous, MG
McDonald, LW
AF Levinthal, Joseph D.
Richards, Bryony
Snow, Mathew S.
Watrous, Matthew G.
McDonald, Luther W.
TI Correlating NORM with the mineralogical composition of shale at the
microstructural and bulk scale
SO APPLIED GEOCHEMISTRY
LA English
DT Article
DE Shale; Hydraulic fracturing; Uranium; NORM; TENORM; QEMSCAN; XRD; Mass
spectrometry
ID UNCONVENTIONAL GAS; ELEMENT GEOCHEMISTRY; URANIUM; PYRITE; BASIN;
ACCUMULATION; SEDIMENTS; CHINA; EARTH
AB Hydrocarbons produced via hydraulic fracturing of shale formations frequently contain elevated quantities of Technologically Enhanced Naturally Occurring Radioactive Materials (TENORM) that are difficult to dispose of and can be harmful to the environment. This research investigates the elemental composition of seven major shale formations at the bulk and microstructural scale to better understand the relationship between major naturally occurring radioactive elements (NORM) and organic phases within shales. Bulk mineralogy analysis was performed via powder X-ray diffraction to identify which shales were ideal for hydraulic stimulation based on the content of ductile and brittle minerals. To complement the XRD, Quantitative Evaluation of Minerals by Scanning Electron Microscopy (QEMSCAN (R)) was performed to identify non-crystalline phases and provide spatial mapping of the minerals through the shale samples. In addition, XRD and QEMSCAN were used to determine the total sulfur and carbonate content as this greatly contributes to the acidity of the shale and subsequently, U and Th migration. Select samples were characterized by scanning electron microscopy - energy dispersive x-ray spectroscopy (SEM/EDX) to reveal the presence of heavy metals (i.e. U, Pb) near hydrocarbon-rich regions of the shale. The NORM content and organic content were also correlated using gamma well logging. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Levinthal, Joseph D.; McDonald, Luther W.] Univ Utah, Dept Civil & Environm Engn, Nucl Engn Program, 201 Presidents Circle, Salt Lake City, UT 84112 USA.
[Richards, Bryony] Univ Utah, EGI, 423 Wakara Way 300, Salt Lake City, UT 84108 USA.
[Levinthal, Joseph D.; Snow, Mathew S.; Watrous, Matthew G.] Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA.
RP McDonald, LW (reprint author), 50 S Cent Campus Dr,MEB 1490A, Salt Lake City, UT 84102 USA.
EM luther.mcdonald@utah.edu
OI Watrous, Matthew/0000-0002-9233-669X
FU U.S. Nuclear Regulatory Commission [NRCHQ13G380009]; Idaho National
Laboratory through the National Nuclear Security Administration's Next
Generation Safeguards Initiative
FX The authors gratefully acknowledge Kocurek Industries, the Energy &
Geosciences Institute, and the Ohio Department of Natural Resources,
Division of Geological Survey for providing the shale samples. This
material is based upon work supported in part by U.S. Nuclear Regulatory
Commission Grant NRCHQ13G380009 and the Idaho National Laboratory
through the National Nuclear Security Administration's Next Generation
Safeguards Initiative. Neither the U.S. Government nor any agency
thereof, nor any of their employees, makes any warranty, express or
implied, or assumes any legal liability or responsibility for the
accuracy, completeness, or usefulness of any information, apparatus,
product, or process disclosed, or represents that its use would not
infringe privately owned rights. References herein to any specific
commercial product, process, or service by trade name, trademark,
manufacturer, or otherwise, does not necessarily constitute or imply its
endorsement, recommendation, or favoring by the U.S. Government or any
agency thereof. Views and opinions of the authors expressed herein do
not necessarily state or reflect those of the U.S. Government or any
agency thereof.
NR 35
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U1 12
U2 12
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0883-2927
J9 APPL GEOCHEM
JI Appl. Geochem.
PD JAN
PY 2017
VL 76
BP 210
EP 217
DI 10.1016/j.apgeochem.2016.11.004
PG 8
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA EF3UU
UT WOS:000390250900018
ER
PT J
AU Hill, WR
Griffiths, NA
AF Hill, Walter R.
Griffiths, Natalie A.
TI Nitrogen processing by grazers in a headwater stream: riparian
connections
SO FRESHWATER BIOLOGY
LA English
DT Article
DE excretion; grazers; growth; nutrient recycling; streams
ID N-15 TRACER ADDITION; WOODLAND STREAM; FOOD RESOURCES; PHOSPHORUS;
ECOSYSTEM; PERIPHYTON; SNAIL; EXCRETION; NUTRIENTS; DYNAMICS
AB 1. Primary consumers play important roles in the cycling of nutrients in headwater streams, storing assimilated nutrients in growing tissue and recycling them through excretion. Although environmental conditions in most headwater streams and their surrounding terrestrial ecosystems vary considerably over the course of a year, relatively little is known about the effects of seasonality on consumer nutrient recycling these streams. In this study, we measured nitrogen accumulated through growth and excreted by the grazing snail Elimia clavaeformis (Pleuroceridae) over the course of 12 months in Walker Branch, identifying close connections between in-stream nitrogen processing and seasonal changes in the surrounding forest.
2. Nitrogen processing rates were positively correlated with ecosystem respiration, which was driven by leaf phenology on streamside trees. Snail nitrogen assimilation, growth and excretion were relatively high in spring before leaf emergence, low in summer when canopy shade was extensive and high again in autumn after leaf-fall. During the time that snails grazed primarily on epilithon (winter, spring and summer), growth and excretion rates followed changes in light and epilithon biomass. In autumn, when snails primarily grazed fallen leaves, leaf-associated microbes provided large subsidies of nitrogen for the snails. Nitrogen accumulation in snail biomass was greater in the 2 months following leaf-fall than at any other time of the year.
3. Snails were less important as nitrogen sinks than as sources of recycled nitrogen in Walker Branch. Over the course of the year, snails excreted approximately 12 times more nitrogen than they accumulated in biomass. Nitrogen accrued during growth in spring was subsequently lost in summer when primary production declined and snails underwent tissue loss. Catabolic losses represented >40% of the nitrogen excreted by the snails in summer. Net nitrogen growth efficiency (growth/assimilation), which varied with food availability, was only 8% for the entire year. Neither growth nor excretion was positively correlated with nitrogen concentrations in grazing substrata.
4. Snails achieved high standing crops and were significant contributors to nitrogen spiralling in Walker Branch. On an areal basis, nitrogen in snail biomass (mgN m(-2)) was two to five times greater than that in epilithon biomass, depending on the season. Snails assimilated and excreted up to 50% of the nitrogen initially taken up by autotrophs and leaf microbes, and they were likely to have additional effects on nitrogen spiraling through egestion and the cropping of assimilative biomass. Primary consumers like Elimia are important catalysts of nutrient movement through headwater streams, decreasing residence times and facilitating fluxes to downstream waters.
C1 [Hill, Walter R.] Illinois Nat Hist Survey, Champaign, IL 61820 USA.
[Hill, Walter R.] Univ Illinois, Prairie Res Inst, Champaign, IL 61820 USA.
[Griffiths, Natalie A.] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN USA.
[Griffiths, Natalie A.] Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA.
RP Hill, WR (reprint author), 2900 Millstream Lane, Knoxville, TN 37931 USA.
EM wrhill@illinois.edu
FU U.S. Department of Energy's Office of Science, Biological and
Environmental Research; U.S. Department of Energy [DE-AC05-00OR22275]
FX Natalie Griffiths was supported by the U.S. Department of Energy's
Office of Science, Biological and Environmental Research. Oak Ridge
National Laboratory is managed by UT-Battelle, LLC, for the U.S.
Department of Energy under contract DE-AC05-00OR22275. Kitty McCracken
and Deanne Brice assisted in the field and laboratory.
NR 45
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U1 15
U2 15
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0046-5070
EI 1365-2427
J9 FRESHWATER BIOL
JI Freshw. Biol.
PD JAN
PY 2017
VL 62
IS 1
BP 17
EP 29
DI 10.1111/fwb.12833
PG 13
WC Marine & Freshwater Biology
SC Marine & Freshwater Biology
GA EF2HS
UT WOS:000390146000002
ER
PT J
AU Shih, PM
Hemp, J
Ward, LM
Matzke, NJ
Fischer, WW
AF Shih, P. M.
Hemp, J.
Ward, L. M.
Matzke, N. J.
Fischer, W. W.
TI Crown group Oxyphotobacteria postdate the rise of oxygen
SO GEOBIOLOGY
LA English
DT Article
ID GREAT OXIDATION EVENT; BILLION YEARS AGO; SNOWBALL EARTH; PHYLOGENETIC
ANALYSIS; PHOTOSYNTHESIS; EVOLUTION; GENOME; ORIGIN; CYANOBACTERIA; LIFE
AB The rise of oxygen ca. 2.3 billion years ago (Ga) is the most distinct environmental transition in Earth history. This event was enabled by the evolution of oxygenic photosynthesis in the ancestors of Cyanobacteria. However, long-standing questions concern the evolutionary timing of this metabolism, with conflicting answers spanning more than one billion years. Recently, knowledge of the Cyanobacteria phylum has expanded with the discovery of non-photosynthetic members, including a closely related sister group termed Melainabacteria, with the known oxygenic phototrophs restricted to a clade recently designated Oxyphotobacteria. By integrating genomic data from the Melainabacteria, cross-calibrated Bayesian relaxed molecular clock analyses show that crown group Oxyphotobacteria evolved ca. 2.0 billion years ago (Ga), well after the rise of atmospheric dioxygen. We further estimate the divergence between Oxyphotobacteria and Melainabacteria ca. 2.5-2.6 Ga, which-if oxygenic photosynthesis is an evolutionary synapomorphy of the Oxyphotobacteria-marks an upper limit for the origin of oxygenic photosynthesis. Together, these results are consistent with the hypothesis that oxygenic photosynthesis evolved relatively close in time to the rise of oxygen.
C1 [Shih, P. M.] Joint BioEnergy Inst, Emeryville, CA 94608 USA.
[Shih, P. M.] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA USA.
[Hemp, J.; Ward, L. M.; Fischer, W. W.] CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA.
[Matzke, N. J.] Univ Tennessee, Natl Inst Math & Biol Synth, Knoxville, TN USA.
RP Shih, PM (reprint author), Joint BioEnergy Inst, Emeryville, CA 94608 USA.; Fischer, WW (reprint author), CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA.
EM pmshih@gmail.com; wfischer@caltech.edu
OI Hemp, James/0000-0001-7193-0553; Matzke, Nicholas/0000-0002-8698-7656
FU Gordon and Betty Moore Foundation [GBMF 2550.04]; Joint BioEnergy
Institute; U.S. Department of Energy. Office of Science, Office of
Biological and Environmental Research [DE-AC02-05CH11231]; National
Institute for Mathematical and Biological Synthesis; National Science
Foundation; U.S. Department of Homeland Security; U.S. Department of
Agriculture through NSF [EF-0832858, DBI-1300426]; University of
Tennessee, Knoxville; Agouron Institute and Caltech Center for
Environment Microbe Interactions; NSF; NASA [NNX16AJ57G]; Agouron
Institute; David and Lucile Packard Foundation
FX We thank Dr. Itai Sharon for providing Melainabacteria 16S sequences.
P.M.S. was supported by the Gordon and Betty Moore Foundation through
Grant GBMF 2550.04 to the Life Sciences Research Foundation and the
Joint BioEnergy Institute, which is supported by the U.S. Department of
Energy. Office of Science, Office of Biological and Environmental
Research, through contract DE-AC02-05CH11231. N.J.M. was supported by
the National Institute for Mathematical and Biological Synthesis, an
institute sponsored by the National Science Foundation, the U.S.
Department of Homeland Security, and the U.S. Department of Agriculture
through NSF awards #EF-0832858 and #DBI-1300426, with additional support
from The University of Tennessee, Knoxville. J.H. acknowledges support
from the Agouron Institute and Caltech Center for Environment Microbe
Interactions. L.M.W. received support from a NSF Graduate Research
Fellowship. W.W.F. acknowledges funding from NASA Exobiology award
#NNX16AJ57G. the Agouron Institute, and the David and Lucile Packard
Foundation. We thank Connor Skennerton. Rochelle Soo, and Phil
Hugenholtz for helpful feedback on this study. We also appreciate
helpful comments from Mario dos Reis and two anonymous reviewers that
improved the quality of our study. The authors have no conflict of
interest to declare.
NR 68
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U1 14
U2 14
PU WILEY
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1472-4677
EI 1472-4669
J9 GEOBIOLOGY
JI Geobiology
PD JAN
PY 2017
VL 15
IS 1
BP 19
EP 29
DI 10.1111/gbi.12200
PG 11
WC Biology; Environmental Sciences; Geosciences, Multidisciplinary
SC Life Sciences & Biomedicine - Other Topics; Environmental Sciences &
Ecology; Geology
GA EF3AD
UT WOS:000390195900002
PM 27392323
ER
PT J
AU Lindsay, MR
Anderson, C
Fox, N
Scofield, G
Allen, J
Anderson, E
Bueter, L
Poudel, S
Sutherland, K
Munson-McGee, JH
Van Nostrand, JD
Zhou, J
Spear, JR
Baxter, BK
Lageson, DR
Boyd, ES
AF Lindsay, M. R.
Anderson, C.
Fox, N.
Scofield, G.
Allen, J.
Anderson, E.
Bueter, L.
Poudel, S.
Sutherland, K.
Munson-McGee, J. H.
Van Nostrand, J. D.
Zhou, J.
Spear, J. R.
Baxter, B. K.
Lageson, D. R.
Boyd, E. S.
TI Microbialite response to an anthropogenic salinity gradient in Great
Salt Lake, Utah
SO GEOBIOLOGY
LA English
DT Article
ID MARINE STROMATOLITES; ALGAL STROMATOLITES; WESTERN-AUSTRALIA;
NATIONAL-PARK; SHARK BAY; USA; DIVERSITY; LITHIFICATION; COMMUNITIES;
WATER
AB A railroad causeway across Great Salt Lake, Utah (GSL), has restricted water flow since its construction in 1959, resulting in a more saline North Arm (NA; 24%-31% salinity) and a less saline South Arm (SA; 11%-14% salinity). Here, we characterized microbial carbonates collected from the SA and the NA to evaluate the effect of increased salinity on community composition and abundance and to determine whether the communities present in the NA are still actively precipitating carbonate or if they are remnant features from prior to causeway construction. SSU rRNA gene abundances associated with the NA microbialite were three orders of magnitude lower than those associated with the SA microbialite, indicating that the latter community is more productive. SSU rRNA gene sequencing and functional gene microarray analyses indicated that SA and NA microbialite communities are distinct. In particular, abundant sequences affiliated with photoautotrophic taxa including cyanobacteria and diatoms that may drive carbonate precipitation and thus still actively form microbialites were identified in the SA microbialite; sequences affiliated with photoautotrophic taxa were in low abundance in the NA microbialite. SA and NA microbialites comprise smooth prismatic aragonite crystals. However, the SA microbialite also contained micritic aragonite, which can be formed as a result of biological activity. Collectively, these observations suggest that NA microbialites are likely to be remnant features from prior to causeway construction and indicate a strong decrease in the ability of NA microbialite communities to actively precipitate carbonate minerals. Moreover, the results suggest a role for cyanobacteria and diatoms in carbonate precipitation and microbialite formation in the SA of GSL.
C1 [Lindsay, M. R.; Anderson, E.; Bueter, L.; Poudel, S.; Munson-McGee, J. H.; Boyd, E. S.] Montana State Univ, Dept Microbiol & Immunol, Bozeman, MT 59717 USA.
[Anderson, C.; Fox, N.; Scofield, G.; Allen, J.; Sutherland, K.; Lageson, D. R.] Montana State Univ, Dept Earth Sci, Bozeman, MT 59717 USA.
[Van Nostrand, J. D.; Zhou, J.] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA.
[Zhou, J.] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing, Peoples R China.
[Zhou, J.] Lawrence Berkeley Natl Lab, Earth Sci Div, Berkeley, CA USA.
[Spear, J. R.] Colorado Sch Mines, Dept Civil & Environm Engn, Golden, CO 80401 USA.
[Baxter, B. K.] Westminster Coll, Dept Biol, Salt Lake City, UT USA.
[Spear, J. R.; Boyd, E. S.] NASA, Astrobiol Inst, Mountain View, CA USA.
RP Boyd, ES (reprint author), Montana State Univ, Dept Microbiol & Immunol, Bozeman, MT 59717 USA.
EM eboyd@montana.edu
FU Utah Department of Natural Resources Division of Forestry, Fire State
Lands; NASA Astrobiology Institute [NNA15BB02A]
FX The authors thank Laura Kellerman for her assistance and expertise with
the field emission scanning electron microscope, Dr. Karlene Hoo, Dean
of the Montana State University Graduate School, for providing funds to
help defray costs associated with our Precambrian Biosphere graduate
class project, Dr. Mark Jutila for providing funds that enabled a class
field trip to the Bridger Mountains to observe a stromatolite fossil
bed, Donald L. Clark from the Utah Geologic Survey for careful review of
this manuscript, and Charles G. Oviatt for helpful discussions regarding
the geologic history of GSL. This work was supported by a grant from the
Utah Department of Natural Resources Division of Forestry, Fire & State
Lands (BKB and ESB) and a grant (NNA15BB02A) from the NASA Astrobiology
Institute (JRS and ESB).
NR 97
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U1 11
U2 11
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1472-4677
EI 1472-4669
J9 GEOBIOLOGY
JI Geobiology
PD JAN
PY 2017
VL 15
IS 1
BP 131
EP 145
DI 10.1111/gbi.12201
PG 15
WC Biology; Environmental Sciences; Geosciences, Multidisciplinary
SC Life Sciences & Biomedicine - Other Topics; Environmental Sciences &
Ecology; Geology
GA EF3AD
UT WOS:000390195900009
PM 27418462
ER
PT J
AU Estes, ER
Andeer, PF
Nordlund, D
Wankel, SD
Hansel, CM
AF Estes, E. R.
Andeer, P. F.
Nordlund, D.
Wankel, S. D.
Hansel, C. M.
TI Biogenic manganese oxides as reservoirs of organic carbon and proteins
in terrestrial and marine environments
SO GEOBIOLOGY
LA English
DT Article
ID X-RAY MICROSCOPY; SP STRAIN SG-1; MN(II) OXIDATION; LITTER
DECOMPOSITION; MEMBRANE-PROTEINS; HEME PEROXIDASES; MN OXIDES; MATTER;
SEDIMENTS; PRESERVATION
AB Manganese (Mn) oxides participate in a range of interactions with organic carbon (OC) that can lead to either carbon degradation or preservation. Here, we examine the abundance and composition of OC associated with biogenic and environmental Mn oxides to elucidate the role of Mn oxides as a reservoir for carbon and their potential for selective partitioning of particular carbon species. Mn oxides precipitated in natural brackish waters and by Mn(II)-oxidizing marine bacteria and terrestrial fungi harbor considerable levels of organic carbon (4.1-17.0 mol OC per kg mineral) compared to ferromanganese cave deposits which contain 1-2 orders of magnitude lower OC. Spectroscopic analyses indicate that the chemical composition of Mn oxide-associated OC from microbial cultures is homogeneous with bacterial Mn oxides hosting primarily proteinaceous carbon and fungal Mn oxides containing both protein-and lipopolysaccharide-like carbon. The bacterial Mn oxide-hosted proteins are involved in both Mn(II) oxidation and metal binding by these bacterial species and could be involved in the mineral nucleation process as well. By comparison, the composition of OC associated with Mn oxides formed in natural settings (brackish waters and particularly in cave ferromanganese rock coatings) is more spatially and chemically heterogeneous. Cave Mn oxide-associated organic material is enriched in aliphatic C, which together with the lower carbon concentrations, points to more extensive microbial or mineral processing of carbon in this system relative to the other systems examined in this study, and as would be expected in oligotrophic cave environments. This study highlights Mn oxides as a reservoir for carbon in varied environments. The presence and in some cases dominance of proteinaceous carbon within the biogenic and natural Mn oxides may contribute to preferential preservation of proteins in sediments and dominance of protein-dependent metabolisms in the subsurface biosphere.
C1 [Estes, E. R.] Woods Hole Oceanog Inst, Dept Marine Chem & Geochem, MIT WHOI Joint Program Oceanog Appl Ocean Sci & E, Woods Hole, MA 02543 USA.
[Estes, E. R.; Andeer, P. F.; Wankel, S. D.; Hansel, C. M.] Woods Hole Oceanog Inst, Dept Marine Chem & Geochem, Woods Hole, MA 02543 USA.
[Andeer, P. F.] Lawrence Berkeley Natl Lab, Life Sci Div, Berkeley, CA USA.
[Nordlund, D.] Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA USA.
RP Hansel, CM (reprint author), Woods Hole Oceanog Inst, Dept Marine Chem & Geochem, Woods Hole, MA 02543 USA.
EM chansel@whoi.edu
FU NASA [NNX15AM04G]; NSF GRF [1122374]; NSF [EAR-82279000]; WHO! Coastal
Ocean Institute grant; U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences [DE-AC02-76SF00515]; Office of Science,
Office of Basic Energy Sciences, of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX The authors are grateful to Dan Repeta, Ben Kocar, Deric Learman, Matt
Mcllvin, Dawn Moran, Clara Chan, Brandy Toner, and Marco Keiluweit for
their helpful insight, to Suzanna Brauer and Mara Cloutier for access to
and help collecting the cave samples, and to Brad Tebo for providing
Erythrobacter strain SD-21. We also thank two anonymous reviewers, whose
thoughtful comments greatly improved this manuscript. This research was
supported, in part, by NASA Exobiology grant NNX15AM04G to CMH and SDW,
NSF GRF (1122374) (ERE). NSF EAR-82279000 to CMH and a WHO! Coastal
Ocean Institute grant to ERE. Portions of this research were conducted
at the Stanford Synchrotron Radiation Lightsource (Stanford, CA) and the
Advanced Light Source (Berkeley, CA). The use of the Stanford
Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory,
is supported by the U.S. Department of Energy, Office of Science, Office
of Basic Energy Sciences under Contract No. DE-AC02-76SF00515. The
Advanced Light Source is supported by the Director, Office of Science,
Office of Basic Energy Sciences, of the U.S. Department of Energy under
Contract No. DE-AC02-05CH11231. The authors also acknowledge Tolek
Tyliszczak for his support on beamline 11.0.2 at the ALS.
NR 77
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U1 15
U2 15
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1472-4677
EI 1472-4669
J9 GEOBIOLOGY
JI Geobiology
PD JAN
PY 2017
VL 15
IS 1
BP 158
EP 172
DI 10.1111/gbi.12195
PG 15
WC Biology; Environmental Sciences; Geosciences, Multidisciplinary
SC Life Sciences & Biomedicine - Other Topics; Environmental Sciences &
Ecology; Geology
GA EF3AD
UT WOS:000390195900011
PM 27396696
ER
PT J
AU Restrepo-Coupe, N
Levine, NM
Christoffersen, BO
Albert, LP
Wu, J
Costa, MH
Galbraith, D
Imbuzeiro, H
Martins, G
da Araujo, AC
Malhi, YS
Zeng, XB
Moorcroft, P
Saleska, SR
AF Restrepo-Coupe, Natalia
Levine, Naomi M.
Christoffersen, Bradley O.
Albert, Loren P.
Wu, Jin
Costa, Marcos H.
Galbraith, David
Imbuzeiro, Hewlley
Martins, Giordane
da Araujo, Alessandro C.
Malhi, Yadvinder S.
Zeng, Xubin
Moorcroft, Paul
Saleska, Scott R.
TI Do dynamic global vegetation models capture the seasonality of carbon
fluxes in the Amazon basin? A data-model intercomparison
SO GLOBAL CHANGE BIOLOGY
LA English
DT Article
DE Amazonia; carbon dynamics; dynamic global vegetation models;
ecosystem-climate interactions; eddy covariance; seasonality; tropical
forests phenology
ID ENVIRONMENT SIMULATOR JULES; TROPICAL SOUTH-AMERICA; NET PRIMARY
PRODUCTION; LEAF-AREA INDEX; RAIN-FOREST; WATER FLUXES; INTERANNUAL
VARIABILITY; CLIMATE-CHANGE; PHOTOSYNTHETIC SEASONALITY; STOMATAL
CONDUCTANCE
AB To predict forest response to long-term climate change with high confidence requires that dynamic global vegetation models (DGVMs) be successfully tested against ecosystem response to short-term variations in environmental drivers, including regular seasonal patterns. Here, we used an integrated dataset from four forests in the Brasil flux network, spanning a range of dry-season intensities and lengths, to determine how well four state-of-the-art models (IBIS, ED2, JULES, and CLM3.5) simulated the seasonality of carbon exchanges in Amazonian tropical forests. We found that most DGVMs poorly represented the annual cycle of gross primary productivity (GPP), of photosynthetic capacity (Pc), and of other fluxes and pools. Models simulated consistent dry-season declines in GPP in the equatorial Amazon (Manaus K34, Santarem K67, and Caxiuana CAX); a contrast to observed GPP increases. Model simulated dry-season GPP reductions were driven by an external environmental factor, 'soil water stress' and consequently by a constant or decreasing photosynthetic infrastructure (Pc), while observed dry-season GPP resulted from a combination of internal biological (leaf-flush and abscission and increased Pc) and environmental (incoming radiation) causes. Moreover, we found models generally overestimated observed seasonal net ecosystem exchange (NEE) and respiration (Re) at equatorial locations. In contrast, a southern Amazon forest (Jaru RJA) exhibited dry-season declines in GPP and Re consistent with most DGVMs simulations. While water limitation was represented in models and the primary driver of seasonal photosynthesis in southern Amazonia, changes in internal biophysical processes, light-harvesting adaptations (e.g., variations in leaf area index (LAI) and increasing leaf-level assimilation rate related to leaf demography), and allocation lags between leaf and wood, dominated equatorial Amazon carbon flux dynamics and were deficient or absent from current model formulations. Correctly simulating flux seasonality at tropical forests requires a greater understanding and the incorporation of internal biophysical mechanisms in future model developments.
C1 [Restrepo-Coupe, Natalia] Univ Technol Sydney, Plant Funct Biol & Climate Change Cluster, Sydney, NSW, Australia.
[Restrepo-Coupe, Natalia; Christoffersen, Bradley O.; Albert, Loren P.; Wu, Jin; Saleska, Scott R.] Univ Arizona, Dept Ecol & Evolutionary Biol, Tucson, AZ 85721 USA.
[Levine, Naomi M.] Univ Southern Calif, Dept Biol Sci, Los Angeles, CA 90089 USA.
[Levine, Naomi M.; Moorcroft, Paul] Harvard Univ, Dept Organism & Evolutionary Biol, Cambridge, MA 02138 USA.
[Christoffersen, Bradley O.] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM USA.
[Christoffersen, Bradley O.; Zeng, Xubin] Univ Arizona, Dept Atmospher Sci, Tucson, AZ USA.
[Wu, Jin] Brookhaven Natl Lab, Biol Environm & Climate Sci Dept, Upton, NY 11973 USA.
[Costa, Marcos H.; Imbuzeiro, Hewlley] Univ Fed Vicosa, Dept Agr Engn, Vicosa, MG, Brazil.
[Galbraith, David] Univ Leeds, Sch Geog, Leeds, W Yorkshire, England.
[Martins, Giordane; da Araujo, Alessandro C.] INPA, Manaus, Amazonas, Brazil.
[da Araujo, Alessandro C.] Embrapa Amazonia Oriental, Belem, Para, Brazil.
[Malhi, Yadvinder S.] Univ Oxford, Environm Change Inst, Sch Geog & Environm, Oxford, England.
RP Restrepo-Coupe, N (reprint author), Univ Technol Sydney, Plant Funct Biol & Climate Change Cluster, Sydney, NSW, Australia.; Restrepo-Coupe, N (reprint author), Univ Arizona, Dept Ecol & Evolutionary Biol, Tucson, AZ 85721 USA.
EM nataliacoupe@gmail.com
OI Levine, Naomi/0000-0002-4963-0535; Restrepo-Coupe,
Natalia/0000-0003-3921-1772
FU Gordon and Betty Moore Foundation; NASA LBA-DMIP project [NNX09AL52G];
Plant Functional Biology and Climate Change Cluster at the University of
Technology Sydney; National Aeronautics and Space Administration (NASA)
LBA investigation [CD-32]; National Science Foundation's Partnerships
for International Research and Education (PIRE) [OISE-0730305]; US DOE
(BER) NGEE-Tropics project; Next-Generation Ecosystem Experiment
(NGEE-Tropics) project from the US DOE, Office of Science, Office of
Biological and Environmental Research [DESC00112704]
FX This research was funded by the Gordon and Betty Moore Foundation
'Simulations from the Interactions between Climate, Forests, and Land
Use in the Amazon Basin: Modeling and Mitigating Large Scale
Savannization' project and the NASA LBA-DMIP project (# NNX09AL52G).
N.R.C. acknowledges the Plant Functional Biology and Climate Change
Cluster at the University of Technology Sydney, the National Aeronautics
and Space Administration (NASA) LBA investigation CD-32, the National
Science Foundation's Partnerships for International Research and
Education (PIRE) (#OISE-0730305) and David Garces Cordoba for their
funding and support. B.O.C. and J.W. were funded in part by the US DOE
(BER) NGEE-Tropics project to LANL and by the Next-Generation Ecosystem
Experiment (NGEE-Tropics) project from the US DOE, Office of Science,
Office of Biological and Environmental Research and through contract
#DESC00112704 to Brookhaven National Laboratory, respectively. The
authors would like to thank Dr. Alfredo Huete, Dr. Sabina Belli, Dr.
Lina Mercado, and our collaborators from the LBA-DMIP Dr. Luis Gustavo
Goncalves de Goncalves and Dr. Ian Baker, and the staff of each tower
site for their support, and/or technical, logistical and extensive
fieldwork. We acknowledge the contributions of three anonymous reviewers
whose comments helped us to improve the clarity and scientific rigor of
this manuscript. Dedicated to the people of the Amazon basin.
NR 114
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U2 34
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1354-1013
EI 1365-2486
J9 GLOBAL CHANGE BIOL
JI Glob. Change Biol.
PD JAN
PY 2017
VL 23
IS 1
BP 191
EP 208
DI 10.1111/gcb.13442
PG 18
WC Biodiversity Conservation; Ecology; Environmental Sciences
SC Biodiversity & Conservation; Environmental Sciences & Ecology
GA EF3IP
UT WOS:000390218300017
PM 27436068
ER
PT J
AU Melo, DR
Leggett, RW
AF Melo, Dunstana R.
Leggett, Richard W.
TI A BIOKINETIC MODEL FOR SYSTEMIC NICKEL
SO HEALTH PHYSICS
LA English
DT Article
DE biokinetics; International Commission on Radiological Protection;
nickel; radiation protection
ID REFERENCE VALUES; STABLE-ISOTOPE; TISSUES; RATS; NI-63; METABOLISM;
METALS; HUMANS; ORGANS; URINE
AB The International Commission on Radiological Protection (ICRP) is updating its suite of reference biokinetic models for internally deposited radionuclides. This paper reviews data for nickel and proposes an updated biokinetic model for systemic (absorbed) nickel in adult humans for use in radiation protection. Compared with the ICRP's current model for nickel, the proposed model is based on a larger set of observations of the behavior of nickel in human subjects and laboratory animals and provides a more realistic description of the paths of movement of nickel in the body. For the two most important radioisotopes of nickel, Ni-59 and Ni-63, the proposed model yields substantially lower dose estimates per unit of activity reaching blood than the current ICRP model.
C1 [Melo, Dunstana R.; Leggett, Richard W.] Melohill Technol LLC, 1 Res Court,Suite 450, Rockville, MD 20850 USA.
Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Melo, DR (reprint author), Melohill Technol LLC, 1 Res Court,Suite 450, Rockville, MD 20850 USA.
EM dunstana.melo@melohilltech.com
NR 33
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U1 0
U2 0
PU LIPPINCOTT WILLIAMS & WILKINS
PI PHILADELPHIA
PA TWO COMMERCE SQ, 2001 MARKET ST, PHILADELPHIA, PA 19103 USA
SN 0017-9078
EI 1538-5159
J9 HEALTH PHYS
JI Health Phys.
PD JAN
PY 2017
VL 112
IS 1
BP 18
EP 27
DI 10.1097/HP.0000000000000579
PG 10
WC Environmental Sciences; Public, Environmental & Occupational Health;
Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical
Imaging
SC Environmental Sciences & Ecology; Public, Environmental & Occupational
Health; Nuclear Science & Technology; Radiology, Nuclear Medicine &
Medical Imaging
GA EF6NL
UT WOS:000390447700003
PM 27906784
ER
PT J
AU Allaf, RM
Rivero, IV
Ivanov, IN
AF Allaf, Rula M.
Rivero, Iris V.
Ivanov, Ilia N.
TI Fabrication and characterization of multiwalled carbon nanotube-loaded
interconnected porous nanocomposite scaffolds
SO INTERNATIONAL JOURNAL OF POLYMERIC MATERIALS AND POLYMERIC BIOMATERIALS
LA English
DT Article
DE Mechanical properties; nanostructures; porosity; thermal properties;
wettability
ID TISSUE ENGINEERING SCAFFOLDS; COMPOSITES; POLYMER; DISPERSION; BLEND;
FILMS; NANOFIBERS; BEHAVIOR; POROSITY
AB Novel nanocomposite porous scaffolds based on poly(epsilon-caprolactone) (PCL) and multiwalled carbon nanotubes (MWCNTs) were manufactured by a compression-molding/polymer-leaching approach utilizing cryomilling for homogeneous dispersion of nanotubes and blending of polymers. Addition of MWCNTs to PCL and PCL/polyglycolide (PGA) blends resulted in significant changes to scaffold morphology compared to control samples despite persistent interconnected porosity. Several structures exhibiting rough and nanotextured surfaces were observed. Mean pore sizes were in the range of similar to 3-5 mu m. The nanocomposites presented good mechanical and water uptake properties. The results of this research provide significant insight into a strategy for producing nanocomposite scaffolds with interconnected porosity.
[GRAPHICS]
.
C1 [Allaf, Rula M.] German Jordanian Univ, Dept Ind Engn, Amman, Jordan.
[Rivero, Iris V.] Iowa State Univ, Dept Ind & Mfg Syst Engn, Ames, IA 50011 USA.
[Ivanov, Ilia N.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN USA.
RP Rivero, IV (reprint author), Iowa State Univ, Dept Ind & Mfg Syst Engn, Ames, IA 50011 USA.
EM rivero@iastate.edu
OI ivanov, ilia/0000-0002-6726-2502
FU 510 Center for Nanophase Materials Sciences, which is a DOE Office of
Science User Facility [CNMS2009-052]
FX The authors gratefully acknowledge the Texas Tech University Imaging
Center, Department of Biological Sciences, for use of the Hitachi
S-4300SE/N (NSF MRI 04-511). Thermal analysis was performed under
project CNMS2009-052 at the 510 Center for Nanophase Materials Sciences,
which is a DOE Office of Science User Facility.
NR 46
TC 0
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U1 7
U2 7
PU TAYLOR & FRANCIS AS
PI OSLO
PA KARL JOHANS GATE 5, NO-0154 OSLO, NORWAY
SN 0091-4037
EI 1563-535X
J9 INT J POLYM MATER PO
JI Int. J. Polym. Mater. Polym. Biomat.
PY 2017
VL 66
IS 4
BP 183
EP 192
DI 10.1080/00914037.2016.1201761
PG 10
WC Materials Science, Biomaterials; Polymer Science
SC Materials Science; Polymer Science
GA EE9YA
UT WOS:000389981100002
ER
PT J
AU Grossiord, C
Sevanto, S
Adams, HD
Collins, AD
Dickman, LT
McBranch, N
Michaletz, ST
Stockton, EA
Vigil, M
McDowell, NG
AF Grossiord, Charlotte
Sevanto, Sanna
Adams, Henry D.
Collins, Adam D.
Dickman, Lee T.
McBranch, Natalie
Michaletz, Sean T.
Stockton, Elizabeth A.
Vigil, Miguel
McDowell, Nate G.
TI Precipitation, not air temperature, drives functional responses of trees
in semi-arid ecosystems
SO JOURNAL OF ECOLOGY
LA English
DT Article
DE climate change; ecophysiology; foliar traits; growth; needle structure;
phenology; photosynthesis; Pinus edulis Engelm; plasticity; water use
efficiency
ID CARBON-ISOTOPE DISCRIMINATION; PINYON-JUNIPER WOODLAND; LEAF
GAS-EXCHANGE; EXPERIMENTAL DROUGHT; CLIMATE-CHANGE; PHENOTYPIC
PLASTICITY; QUERCUS-ILEX; PHOTOSYNTHETIC RESPONSE; PHILLYREA-LATIFOLIA;
CHANGING CLIMATE
AB 1. Model scenarios of climate change predict that warming and drought will occur simultaneously in the future in many regions. The capacity of woody species to modify their physiology and morphology in response to environmental conditions is widely recognized, but little is known about the responses of trees to reduced precipitation and increased temperature acting simultaneously.
2. In a semi-arid woodland, we assessed the responses in physiological (needle emergence, maximum photosynthesis, stomatal conductance, water use efficiency (WUE) and shoot elongation) and morphological (needle length and thickness, and leaf mass per area (LMA)) foliar traits of pinon pine (Pinus edulis) in response to three years of a 45% reduction in precipitation, a 4.8 degrees C increase in air temperature and their simultaneous effects.
3. A strong change in physiological and morphological traits in response to reduced precipitation was observed. Precipitation reduction delayed needle emergence, decreased photosynthesis and stomatal conductance, increased WUE, decreased shoot elongation and induced shorter needles with a higher LMA. Trees subjected to simultaneous reductions in precipitation and warming demonstrated a similar response. However, atmospheric warming did not induce a response in any of the measured traits.
4. Physiological and morphological traits of trees in this semi-arid climate were more responsive to changes in soil moisture than air temperature. Long-term exposure to seasonal drought stress in arid sites may have resulted in strong plastic responses to this first stressor. However, atmospheric warming probably was not experienced as a stress for trees in this warm and dry climate. Overall, our results indicate that in semi-arid ecosystems where tree functioning is already highly limited by soil water availability, atmospheric warming as anticipated with climate change may have less impact on foliar trait responses than previously thought.
C1 [Grossiord, Charlotte; Sevanto, Sanna; Collins, Adam D.; Dickman, Lee T.; McBranch, Natalie; Michaletz, Sean T.; Stockton, Elizabeth A.; Vigil, Miguel; McDowell, Nate G.] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA.
[Adams, Henry D.] Oklahoma State Univ, Dept Plant Biol Ecol & Evolut, Stillwater, OK 74078 USA.
RP Grossiord, C (reprint author), Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA.
EM cgrossiord@lanl.gov
FU US Department of Energy, Office of Science, Biological and Environmental
Research; Los Alamos National Laboratory
FX The Los Alamos Survival-Mortality Experiment (SUMO) is funded by the US
Department of Energy, Office of Science, Biological and Environmental
Research. We thank Heath Powers for his technical help during the
building of the site. We also thank Michel Vennetier, Samuel Briggs and
Nuria Garcia-Forner for assistance with the measurement protocol and
data collection of needle emergence. We thank George Perkins for
isotopic analyses. HDA and STM were supported by a Director's Fellowship
from the Los Alamos National Laboratory.
NR 89
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U1 36
U2 36
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0022-0477
EI 1365-2745
J9 J ECOL
JI J. Ecol.
PD JAN
PY 2017
VL 105
IS 1
BP 163
EP 175
DI 10.1111/1365-2745.12662
PG 13
WC Plant Sciences; Ecology
SC Plant Sciences; Environmental Sciences & Ecology
GA EF4VV
UT WOS:000390331000016
ER
PT J
AU Dijkstra, FA
Jenkins, M
de Courcelles, VD
Keitel, C
Barbour, MM
Kayler, ZE
Adams, MA
AF Dijkstra, Feike A.
Jenkins, Meaghan
de Courcelles, Vivien de Remy
Keitel, Claudia
Barbour, Margaret M.
Kayler, Zachary E.
Adams, Mark A.
TI Enhanced decomposition and nitrogen mineralization sustain rapid growth
of Eucalyptus regnans after wildfire
SO JOURNAL OF ECOLOGY
LA English
DT Article
DE microbial activity; microbial carbon use efficiency; mountain ash;
nitrogen stable isotope; plant-soil (below-ground) interactions;
rhizosphere priming effect; trenched plots
ID SOIL ORGANIC-MATTER; F-MUELL FORESTS; ELEVATED CO2; EXTRACTION METHOD;
NUTRIENT BALANCE; C-3 LEAVES; CARBON; BIOMASS; ACACIA; FIRE
AB 1. Eucalyptus regnans grows rapidly from seed after wildfires, out-competing other species, thereby forming pure stands of mature forests that rank amongst the world's most carbon dense. By global standards, these forests grow on infertile soils. It is unclear how E. regnans is able to obtain large amounts nitrogen (N) from these infertile soils to support its rapid growth after fire.
2. We measured carbon (C) and N stored in plant biomass and photosynthetic rates of E. regnans 2 years after a wildfire and examined whether E. regnans stimulated its own N supply through rootinduced increases in microbial decomposition and N mineralization. We compared microbial biomass, gross N mineralization rates and soil C in trenched and rooted plots.
3. Photosynthetic rates of E. regnans seedlings were high and comparable to photosynthetic rates observed in fertilized crops. Presence of roots of E. regnans and allied microflora enhanced gross N mineralization more than fivefold compared to soil without roots present. Soil microbial biomass was more than doubled by root presence. The soil N pulse caused by the fire and N mineralization rates in the absence of roots were too small to account for the large amount of N stored in E. regnans 2 years after the fire.
4. Our results suggest that E. regnans facilitated its rapid growth by enhancing microbial activity and N mineralization. This enhanced microbial activity also contributed to a substantial loss of soil C (similar to 62% of carbon gained in plant biomass was concurrently lost from soil).
5. Synthesis. At the ecosystem scale, the synergistic effects of plant growth and soil N mineralization need to be carefully assessed against costs to soil C for forests regenerating after disturbance.
C1 [Dijkstra, Feike A.; Jenkins, Meaghan; de Courcelles, Vivien de Remy; Keitel, Claudia; Barbour, Margaret M.; Adams, Mark A.] Univ Sydney, Sch Life & Environm Sci, Fac Agr & Environm, Ctr Carbon Water & Food, Camden, NSW 2570, Australia.
[Jenkins, Meaghan] Univ Wollongong, Fac Sci Hlth & Med, Sch Biol, Ctr Environm Risk Management Bushfires, Wollongong, NSW 2522, Australia.
[Kayler, Zachary E.] Leibniz Ctr Agr Landscape Res, Inst Landscape Biogeochem, D-15374 Muncheberg, Germany.
[Kayler, Zachary E.] US Forest Serv, USDA, Northern Res Stn, Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Dijkstra, FA (reprint author), Univ Sydney, Sch Life & Environm Sci, Fac Agr & Environm, Ctr Carbon Water & Food, Camden, NSW 2570, Australia.
EM feike.dijkstra@sydney.edu.au
FU Australian Research Council [FT100100779]
FX This research was supported by the Australian Research Council
(FT100100779). We like to thank Michael Kemp for research assistance,
Ted Wearne from the Victoria Department of Sustainability and
Environment for facilitating access to the site, the Lancefield
Guesthouse for their hospitality and facilitating a field laboratory,
and two anonymous referees for their constructive comments. The authors
have no conflict of interest to declare.
NR 48
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U1 21
U2 21
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0022-0477
EI 1365-2745
J9 J ECOL
JI J. Ecol.
PD JAN
PY 2017
VL 105
IS 1
BP 229
EP 236
DI 10.1111/1365-2745.12663
PG 8
WC Plant Sciences; Ecology
SC Plant Sciences; Environmental Sciences & Ecology
GA EF4VV
UT WOS:000390331000022
ER
PT J
AU Bdzil, JB
Short, M
AF Bdzil, John B.
Short, Mark
TI Theory of Mach reflection of detonation at glancing incidence
SO JOURNAL OF FLUID MECHANICS
LA English
DT Article
DE compressible flows; detonation waves; high-speed flow
ID VON-NEUMANN PARADOX; WEAK SHOCK-WAVES; TRANSONIC FLOW; DIFFRACTION;
EQUATION
AB We present a theory for Mach reflection of a detonation undergoing glancing incidence reflection off of a rigid wall. Our focus is on condensed-phase explosives, which we describe with a constant adiabatic gamma equation of state and an irreversible and either state-independent or weakly state-dependent reaction rate. We consider two detonation models: (1) the instantaneous reaction heat-release Chapman-Jouguet (CJ) limit and (2) the spatially resolved reaction heat-release Zeldovich-von Neumann-Doring (ZND) limit, where here we only consider that a small fraction of the detonation energy release is spatially resolved (the SRHR limit). We observe a three-shock reflection in the CJ limit case, with a Mach shock that is curved. We develop an analytical expression for the triple-point track angle as a function of the angle of incidence. For the SRHR model, we observe a smooth lead shock, akin to von Neumann reflection, with no reflected shock in the reaction zone. Only at larger angles of incidence is a three-shock Mach reflection observed.
C1 [Bdzil, John B.; Short, Mark] Los Alamos Natl Lab, Shock & Detonat Phys Grp, Los Alamos, NM 87545 USA.
RP Bdzil, JB (reprint author), Los Alamos Natl Lab, Shock & Detonat Phys Grp, Los Alamos, NM 87545 USA.
EM jbbdzil@gmail.com
OI Bdzil, John/0000-0002-8634-2858
NR 32
TC 0
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U1 8
U2 8
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 0022-1120
EI 1469-7645
J9 J FLUID MECH
JI J. Fluid Mech.
PD JAN
PY 2017
VL 811
BP 269
EP 314
DI 10.1017/jfm.2016.745
PG 46
WC Mechanics; Physics, Fluids & Plasmas
SC Mechanics; Physics
GA EF5DZ
UT WOS:000390352200016
ER
PT J
AU Parish, CM
Unocic, KA
Tan, L
Zinkle, SJ
Kondo, S
Snead, LL
Hoelzer, DT
Katoh, Y
AF Parish, C. M.
Unocic, K. A.
Tan, L.
Zinkle, S. J.
Kondo, S.
Snead, L. L.
Hoelzer, D. T.
Katoh, Y.
TI Helium sequestration at nanoparticle-matrix interfaces in helium plus
heavy ion irradiated nanostructured ferritic alloys
SO JOURNAL OF NUCLEAR MATERIALS
LA English
DT Article
ID DISPERSION-STRENGTHENED ALLOY; TEMPERED MARTENSITIC STEELS; DUAL-BEAM
IRRADIATION; RAY SPECTRAL IMAGES; RADIATION-DAMAGE;
MECHANICAL-PROPERTIES; FRACTURE-TOUGHNESS; ODS-EUROFER; STABILITY;
FUSION
AB We irradiated four ferritic alloys with energetic Fe and He ions: one castable nanostructured alloy (CNA) containing Ti-W-Ta-carbides, and three nanostructured ferritic alloys (NFAs). The NFAs were: 9Cr containing Y-Ti-O nanoclusters, and two Fe-12Cr-5Al NFAs containing Y-Zr-O or Y-Hf-O clusters. All four were subjected to simultaneous dual-beam Fe + He ion implantation (650 degrees C, similar to 50 dpa, similar to 15 appm He/dpa), simulating fusion-reactor conditions. Examination using scanning/transmission electron microscopy (STEM) revealed high-number-density helium bubbles of similar to 8 nm, similar to 10(21) m(-3) (CNA), and of similar to 3 nm, 10(23) m(-3) (NFAs). STEM combined with multivariate statistical analysis data mining suggests that the precipitate-matrix interfaces in all alloys survived similar to 50 dpa at 650 degrees C and serve as effective helium trapping sites. All alloys appear viable structural material candidates for fusion or advanced fission energy systems. Among these developmental alloys the NFAs appear to sequester the helium into smaller bubbles and away from the grain boundaries more effectively than the early-generation CNA. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Parish, C. M.; Unocic, K. A.; Tan, L.; Zinkle, S. J.; Hoelzer, D. T.; Katoh, Y.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Zinkle, S. J.] Univ Tennessee, Knoxville, TN 37996 USA.
[Kondo, S.] Kyoto Univ, Inst Adv Energy, Uji, Kyoto 6110011, Japan.
[Snead, L. L.] MIT, Cambridge, MA 02139 USA.
RP Parish, CM (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM parishcm@ornl.gov
RI Parish, Chad/J-8381-2013; Tan, Lizhen/A-7886-2009
OI Tan, Lizhen/0000-0002-3418-2450
FU U.S. Department of Energy, Office of Science, Fusion Energy Sciences;
UT-Battelle, LLC [DE-AC05-000R22725]; U.S. Department of Energy
FX This research was supported by the U.S. Department of Energy, Office of
Science, Fusion Energy Sciences. This manuscript has been authored by
UT-Battelle, LLC, under Contract No. DE-AC05-000R22725 with the U.S.
Department of Energy. This research was performed, in part, using
instrumentation provided by the Department of Energy, Office of Nuclear
Energy, Fuel Cycle R&D Program and the Nuclear Science User Facilities
(FEI Talos F200X S/TEM).
NR 77
TC 1
Z9 1
U1 10
U2 10
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0022-3115
EI 1873-4820
J9 J NUCL MATER
JI J. Nucl. Mater.
PD JAN
PY 2017
VL 483
BP 21
EP 34
DI 10.1016/j.jnucmat.2016.10.038
PG 14
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA EF1HB
UT WOS:000390074800004
ER
PT J
AU Kenik, EA
Busby, JT
Gussev, MN
Maziasz, PJ
Hoelzer, DT
Rowcliffe, AF
Vitek, JM
AF Kenik, E. A.
Busby, J. T.
Gussev, M. N.
Maziasz, P. J.
Hoelzer, D. T.
Rowcliffe, A. F.
Vitek, J. M.
TI Structure and mechanical properties of improved cast stainless steels
for nuclear applications
SO JOURNAL OF NUCLEAR MATERIALS
LA English
DT Article
ID DEFORMATION-BEHAVIOR; TENSILE DEFORMATION; HARDENING BEHAVIOR;
IRRADIATED FCC; NITROGEN; MICROSTRUCTURE; METALS; DEPENDENCE; SPECIMENS;
GRAIN
AB Casting of stainless steels is a promising and cost saving way of directly producing large and complex structures, such a shield modules or divertors for the ITER. In the present work, a series of modified high nitrogen cast stainless steels has been developed and characterized. The steels, based on the cast equivalent of the composition of 316 stainless steel, have increased N (0.14-0.36%) and Mn (2-5.1%) content; copper was added to one of the heats. Mechanical tests were conducted with non-irradiated and 0.7 dpa neutron irradiated specimens. It was established that alloying by nitrogen significantly improves the yield stress of non-irradiated steels and the deformation hardening rate. Manganese tended to decrease yield stress but increased radiation hardening. The role of copper on mechanical properties was negligibly small. Analysis of structure was conducted using SEM-EDS and the nature and compositions of the second phases and inclusions were analyzed in detail. No ferrite formation or significant precipitation were observed in the modified steels. It was shown that the modified steels, compared to reference material (commercial cast 316L steel), had better strength level, exhibit significantly reduced elemental inhomogeneity and only minor second phase formation. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Kenik, E. A.; Busby, J. T.; Maziasz, P. J.; Hoelzer, D. T.; Rowcliffe, A. F.; Vitek, J. M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Gussev, M. N.] Oak Ridge Natl Lab, Nucl Fuel & Isotopes Div, Oak Ridge, TN 37831 USA.
RP Gussev, MN (reprint author), Oak Ridge Natl Lab, Nucl Fuel & Isotopes Div, Oak Ridge, TN 37831 USA.
EM gussevmn@ornl.gov
FU U.S. Department of Energy, Office of Nuclear Energy; UT-Battelle LLC
[DE-AC05-000R22725]; U.S. Department of Energy
FX This research was sponsored by the U.S. Department of Energy, Office of
Nuclear Energy, for the Light Water Reactor Sustainability Research and
Development Effort. The authors would like to thank Dr. T.S. Byun from
Oak Ridge National Laboratory (ORNL) for his fruitful discussions on the
results and D.P. Stevens for assisting in preparations of this
manuscript.; This manuscript has been authored by the Oak Ridge National
Laboratory, managed by UT-Battelle LLC under Contract No.
DE-AC05-000R22725 with the U.S. Department of Energy. The U.S.
Government retains and the publisher, by accepting the article for
publication, acknowledges that the U.S. Government retains a
nonexclusive, paid-up, irrevocable, worldwide license to publish or
reproduce the published form of this manuscript, or allow others to do
so, for US. Government purposes.
NR 39
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PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0022-3115
EI 1873-4820
J9 J NUCL MATER
JI J. Nucl. Mater.
PD JAN
PY 2017
VL 483
BP 35
EP 43
DI 10.1016/j.jnucmat.2016.10.045
PG 9
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA EF1HB
UT WOS:000390074800005
ER
PT J
AU Ang, C
Zinkle, S
Shih, C
Silva, C
Cetiner, N
Katoh, Y
AF Ang, Caen
Zinkle, Steven
Shih, Chunghao
Silva, Chinthaka
Cetiner, Nesrin
Katoh, Yutai
TI Phase stability, swelling, microstructure and strength of Ti3SiC2-TiC
ceramics after low dose neutron irradiation
SO JOURNAL OF NUCLEAR MATERIALS
LA English
DT Article
ID MAX PHASES; M(N+1)AX(N) PHASES; DAMAGE TOLERANCE; TITANIUM CARBIDE;
ROOM-TEMPERATURE; ION IRRADIATION; TI3ALC2; RESISTANCE; EVOLUTION;
DIFFRACTION
AB W(n+1)AX(n) (MAX) phase Ti3SiC2 materials were neutron irradiated at similar to 400, similar to 630, and 700 degrees C to a fluence of similar to 2 x 10(25) n/m(2) (E > 0.1 MeV). After irradiation at similar to 400 degrees C, anisotropic c-axis dilation of-1.5% was observed. Room temperature strength was reduced from 445 +/- 29 MPa to 315 +/- 33 MPa and the fracture surfaces showed flat facets and transgranular cracks instead of typical kink-band deformation and bridging ligaments. XRD phase analysis indicated an increase of 10-15 wd TiC. After irradiation at similar to 700 degrees C there were no lattice parameter changes, similar to 5 wt% decomposition to TiC occurred, and strength was 391 +/- 71 MPa and 378 +/- 31 MPa. The fracture surfaces indicated kink-band based deformation but with lesser extent of delamination than as-received samples. Ti3SiC2 appears to be radiation tolerant at similar to 400 degrees C, and increasingly radiation resistant at similar to 630-700 degrees C, but a higher temperature may be necessary for full recovery.
C1 [Ang, Caen; Zinkle, Steven; Shih, Chunghao; Silva, Chinthaka; Cetiner, Nesrin; Katoh, Yutai] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA.
[Zinkle, Steven] Univ Tennessee, Knoxville, TN 37996 USA.
[Shih, Chunghao] Gen Atom, San Diego, CA 92186 USA.
RP Ang, C (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA.
EM angck@ornl.gov
FU Scientific User Facilities Division, Office of Basic Energy Sciences;
U.S. Department of Energy, Office of Science, Fusion Energy Sciences
[DE-AC05-000R22725]; UT-Battelle, LLC; Department of Energy; DOE Public
Access Plan
FX The authors would like to thank Brian Eckhart, Michael McAlister, Felipe
Mora, Melanie Kirkham and Shawn Reeves for specimen preparation.
Stephanie Curlin, Patricia Tedder, Marie Williams, Jordan Couch, Bill
Comings and Kenneth Curtis provided technical support for activated
samples. Phillip Edmonson provided critical review of the manuscript.
This research used equipment at the Low Activation Materials Development
and Analysis (LAMDA) and the High Temperature Materials Laboratory
(HTML) facility. The High Flux Isotope Reactor (HFIR) and POWGEN
facility of the Spallation Neutron Source were sponsored by the
Scientific User Facilities Division, Office of Basic Energy Sciences.
Research supported by the U.S. Department of Energy, Office of Science,
Fusion Energy Sciences under Contract No. DE-AC05-000R22725 with
UT-Battelle, LLC.; The United States Government retains and the
publisher, by accepting the article for publication, acknowledges that
the United States Government retains a non-exclusive, paid-up,
irrevocable, world-wide license to publish or reproduce the published
form of this manuscript, or allow others to do so, for United States
Government purposes. The Department of Energy will provide public access
to these results of federally sponsored research in accordance with the
DOE Public Access Plan
(http://energy.gov/downloads/doe-public-access-plan).
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PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0022-3115
EI 1873-4820
J9 J NUCL MATER
JI J. Nucl. Mater.
PD JAN
PY 2017
VL 483
BP 44
EP 53
DI 10.1016/j.jnucmat.2016.10.036
PG 10
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA EF1HB
UT WOS:000390074800006
ER
PT J
AU Field, KG
Briggs, SA
Hu, XX
Yamamoto, Y
Howard, RH
Sridharan, K
AF Field, Kevin G.
Briggs, Samuel A.
Hu, Xunxiang
Yamamoto, Yukinori
Howard, Richard H.
Sridharan, Kumar
TI Heterogeneous dislocation loop formation near grain boundaries in a
neutron-irradiated commercial FeCrAl alloy
SO JOURNAL OF NUCLEAR MATERIALS
LA English
DT Article
DE FeCrAl; Accident tolerant; Phase stability; Dislocation; Grain boundary
ID RADIATION-INDUCED SEGREGATION; MODEL FERRITIC/MARTENSITIC STEEL;
AUSTENITIC STAINLESS-STEEL; INDUCED SOLUTE SEGREGATION; SIMPLE FERRITIC
ALLOYS; SITU ION IRRADIATION; CR-NI ALLOYS; FE; EVOLUTION; ENVIRONMENTS
AB FeCrAl alloys are an attractive class of materials for nuclear power applications because of their increased environmental compatibility compared with more traditional nuclear materials. Preliminary studies into the radiation tolerance of FeCrAl alloys under accelerated neutron testing between 300 and 400 degrees C have shown post-irradiation microstructures containing dislocation loops and a Cr-rich alpha' phase. Although these initial studies established the post-irradiation microstructures, there was little to no focus on understanding the influence of pre-irradiation microstructures on this response. In this study, a well annealed commercial FeCrAl alloy, Alkrothal 720, was neutron irradiated to 1.8 displacements per atom (dpa) at 382 degrees C and then the effect of random high-angle grain boundaries on the spatial distribution and size of a < 100 > dislocation loops, a/2 < 111 > dislocation loops, and black dot damage was analyzed using on-zone scanning transmission electron microscopy. Results showed a clear heterogeneous dislocation loop formation with a/2 < 111 > dislocation loops showing an increased number density and size, black dot damage showing a significant number density decrease, and a < 100 > dislocation loops exhibiting an increased size in the vicinity of the grain boundary. These results suggest the importance of the pre-irradiation microstructure and, specifically, defect sink density spacing to the radiation tolerance of FeCrAl alloys. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Field, Kevin G.; Hu, Xunxiang; Yamamoto, Yukinori; Howard, Richard H.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Briggs, Samuel A.; Sridharan, Kumar] Univ Wisconsin, Madison, WI 53703 USA.
RP Field, KG (reprint author), Mat Sci & Technol Div, POB 2008, Oak Ridge, TN 37831 USA.
EM fieldkg@ornl.gov; sabriggs2@wisc.edu; hux1@ornl.gov; yamamotoy@ornl.gov;
howardrh@ornl.gov; kumar@engr.wisc.edu
OI Howard, Richard/0000-0002-8521-5427; Briggs, Samuel/0000-0002-2490-4720
FU Department of Energy (DOE) Office of Nuclear Energy, Advanced Fuel
Campaign of the Fuel Cycle RD program; Scientific User Facilities
Division, Office of Basic Energy Sciences, DOE
FX The authors would like to thank the Irradiated Materials Examination and
Testing facility and Low Activation Materials Development and Analysis
laboratory staff for their continuing support of this research. Research
was sponsored by the Department of Energy (DOE) Office of Nuclear
Energy, Advanced Fuel Campaign of the Fuel Cycle R&D program. Neutron
irradiation of FeCrAl alloys at the Oak Ridge National Laboratory's HEIR
user facility was sponsored by the Scientific User Facilities Division,
Office of Basic Energy Sciences, DOE. A portion of support for one of
the authors (SAB) was provided by the DOE Office of Nuclear Energy
University Programs.
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PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0022-3115
EI 1873-4820
J9 J NUCL MATER
JI J. Nucl. Mater.
PD JAN
PY 2017
VL 483
BP 54
EP 61
DI 10.1016/j.jnucmat.2016.10.050
PG 8
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA EF1HB
UT WOS:000390074800007
ER
PT J
AU Xu, K
Hrma, P
Washton, N
Schweiger, MJ
Kruger, AA
AF Xu, Kai
Hrma, Pavel
Washton, Nancy
Schweiger, Michael J.
Kruger, Albert A.
TI Conversion of nuclear waste to molten glass: Formation of porous
amorphous alumina in a high-Al melter feed
SO JOURNAL OF NUCLEAR MATERIALS
LA English
DT Article
DE Nuclear waste; Vitrification; Cold cap; Amorphous alumina
ID THERMAL-DECOMPOSITION; LOW-PRESSURES; AL-27 NMR; GIBBSITE; SPECTROSCOPY;
BOEHMITE; KINETICS; BATCHES
AB The transition of Al phases in a simulated high-Al high-level nuclear waste melter feed heated at 5 K min-1 to 700 degrees C was investigated with transmission electron microscopy, Al-27 nuclear magnetic resonance spectroscopy, the Brunauer-Emmett-Teller method, and X-ray diffraction. At temperatures between 300 and 500 degrees C, porous amorphous alumina formed from the dehydration of gibbsite, resulting in increased specific surface area of the feed (similar to 8 m(2) g(-1)). The high-surface-area amorphous alumina formed in this manner could potentially stop salt migration in the cold cap during nuclear waste vitrification. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Xu, Kai; Hrma, Pavel; Washton, Nancy; Schweiger, Michael J.] Pacific Northwest Natl Lab, Richland, WA 99352 USA.
[Kruger, Albert A.] US DOE, Off River Protect, Richland, WA 99352 USA.
RP Xu, K; Hrma, P (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA.
EM kaixu@whut.edu.cn; pavel.hrma@pnnl.gov
OI Kruger, Albert/0000-0001-8468-0813
FU U.S. Department of Energy (DOE) Waste Treatment and Immobilization
Plant; U.S. Department of Energy [DE-AC05-76RL01830]
FX This work was undertaken with funding authorized by Federal Project
Director William F. Hamel, Jr. of the U.S. Department of Energy (DOE)
Waste Treatment and Immobilization Plant. Pacific Northwest National
Laboratory is operated by Battelle Memorial Institute for the U.S.
Department of Energy under contract DE-AC05-76RL01830. The authors would
like to thank Xiaohong Shari Li for BET surface area measurement,
Matthew J. Olszta for performing TEM, and Jaehun Chun, Yeong-Shyung
Chou, Seung Min Lee, and Brian Riley for insightful discussions and
comments.
NR 28
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PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0022-3115
EI 1873-4820
J9 J NUCL MATER
JI J. Nucl. Mater.
PD JAN
PY 2017
VL 483
BP 102
EP 106
DI 10.1016/j.jnucmat.2016.11.005
PG 5
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA EF1HB
UT WOS:000390074800011
ER
PT J
AU Lindemer, TB
Silva, CM
Henry, JJ
McMurray, JW
Voit, SL
Collins, JL
Hunt, RD
AF Lindemer, T. B.
Silva, C. M.
Henry, J. J.
McMurray, J. W.
Voit, S. L.
Collins, J. L.
Hunt, R. D.
TI Quantification of process variables for carbothermic synthesis of
UC1-xNx fuel microspheres
SO JOURNAL OF NUCLEAR MATERIALS
LA English
DT Article
ID URANIUM NITRIDE; KINETICS; CARBONITRIDES; MONONITRIDE; FABRICATION;
KERNELS; CARBON; UN
AB This report details the continued investigation of process variables involved in converting sol-gel-derived, urania-carbon microspheres to similar to 820-mu m-dia. UC(1-x)Nx fuel kernels in flow-through, vertical Mo and W crucibles at temperatures up to 2123 K. Experiments included calcining of air-dried UO3-H2O-C microspheres in Ar and H-2-containing gases, conversion of the resulting UO2-C kernels to dense UO2:2UC in the same gases and vacuum, and its conversion in N-2 to UC1-xNx (x=similar to 0.85). The thermodynamics of the relevant reactions were applied extensively to interpret and control the process variables. Producing the precursor UO2:2UC kernel of similar to 96% theoretical density was required, but its subsequent conversion to UC1-xNx at 2123 K was not accompanied by sintering and resulted in similar to 83-86% of theoretical density. Increasing the UC1-xNx kernel nitride component to similar to 0.98 in flowing N-2-H-2 mixtures to evolve HCN was shown to be quantitatively consistent with present and past experiments and the only useful application of H-2 in the entire process. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Lindemer, T. B.] MPi Business Solut Inc, Knoxville, TN 37915 USA.
[Silva, C. M.; Henry, J. J.; McMurray, J. W.; Voit, S. L.; Collins, J. L.; Hunt, R. D.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
RP McMurray, JW (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
EM mcmurrayjw1@ornl.gov
OI McMurray, Jacob/0000-0001-5111-3054
FU Advanced Fuels Campaign of the Fuel Cycle R&D program in the Office of
Nuclear Energy, US Department of Energy
FX The authors wish to acknowledge the aid and technical insight of K.
Terrani, L. Snead and T. Besmann as well as the reviews by G. Helmreich
and B. Spencer at ORNL. This paper was supported by the Advanced Fuels
Campaign of the Fuel Cycle R&D program in the Office of Nuclear Energy,
US Department of Energy.
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PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0022-3115
EI 1873-4820
J9 J NUCL MATER
JI J. Nucl. Mater.
PD JAN
PY 2017
VL 483
BP 176
EP 191
DI 10.1016/j.jnucmat.2016.11.006
PG 16
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA EF1HB
UT WOS:000390074800019
ER
PT J
AU Duguet, T
Signoracci, A
AF Duguet, T.
Signoracci, A.
TI Symmetry broken and restored coupled-cluster theory: II. Global gauge
symmetry and particle number
SO JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS
LA English
DT Article
DE ab initio many-body methods; symmetry breaking and restoration;
near-degenerate finite quantum systems
ID PAIRING FORCE MODEL; PLESSET PERTURBATION-THEORY; PROJECTED STATES;
QUANTUM-CHEMISTRY; CONVERGENCE; SYSTEMS
AB We have recently extended many-body perturbation theory (MBPT) and coupled-cluster theory performed on top of a Slater determinant breaking rotational symmetry to allow for the restoration of the angular momentum at any truncation order (Duguet 2015 J. Phys. G: Nucl. Part. Phys. 42 025107). Following a similar route, we presently extend Bogoliubov MBPT and Bogoliubov coupled cluster theory performed on top of a Bogoliubov reference state breaking global gauge symmetry to allow for the restoration of the particle number at any truncation order. Eventually, formalisms can be merged to handle SU(2) and U(1) symme tries at the same time. The long-term goal relates to the ab initio description of near-degenerate finite quantum systems with an open-shell character.
C1 [Duguet, T.] Univ Paris Saclay, CEA, DRF IRFU SPhN, F-91191 Gif Sur Yvette, France.
[Duguet, T.] Katholieke Univ Leuven, Inst Kern & Stralingsfys, B-3001 Leuven, Belgium.
[Duguet, T.] Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA.
[Duguet, T.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA.
[Signoracci, A.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA.
[Signoracci, A.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA.
RP Duguet, T (reprint author), Univ Paris Saclay, CEA, DRF IRFU SPhN, F-91191 Gif Sur Yvette, France.; Duguet, T (reprint author), Katholieke Univ Leuven, Inst Kern & Stralingsfys, B-3001 Leuven, Belgium.; Duguet, T (reprint author), Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA.; Duguet, T (reprint author), Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA.
EM thomas.duguet@cea.fr; asignora@utk.edu
FU US Department of Energy (Oak Ridge National Laboratory)
[DEFG02-96ER40963, DE-SC0008499]; Field Work Proposal [ERKBP57]
FX TD wishes to thank G Ripka very deeply for enlightening discussions that
were instrumental in making this work possible. The authors thank B
Bally and V Soma for their careful proofreading of the manuscript. This
work was supported in part by the US Department of Energy (Oak Ridge
National Laboratory), under Grant Nos. DEFG02-96ER40963 (University of
Tennessee), DE-SC0008499 (NUCLEI Sci-DAC collaboration), and the Field
Work Proposal ERKBP57.
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PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0954-3899
EI 1361-6471
J9 J PHYS G NUCL PARTIC
JI J. Phys. G-Nucl. Part. Phys.
PD JAN
PY 2017
VL 44
IS 1
AR 015103
DI 10.1088/0954-3899/44/1/015103
PG 69
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA EF5FK
UT WOS:000390355900001
ER
PT J
AU Hong, WYJ
Almomani, A
Montazami, R
AF Hong, Wangyujue
Almomani, Abdallah
Montazami, Reza
TI Electrochemical and morphological studies of ionic polymer metal
composites as stress sensors
SO MEASUREMENT
LA English
DT Article
DE IPMC; CNC; Mechanoelectric sensor; Ionomeric sensor
ID LITHIUM-SULFUR BATTERIES; FUEL-CELL MEMBRANES; ARTIFICIAL MUSCLES;
ELECTROMECHANICAL PERFORMANCE; LIQUID CONCENTRATION; BIOMIMETIC SENSORS;
NAFION MEMBRANE; ACTUATORS; DEPOSITION; ELECTRODE
AB Ionic polymer metal composites (IPMCs) are the backbone of a wide range of ionic devices. IPMC mechanoelectric sensors are advanced nanostructured transducers capable of converting mechanical strain into easily detectable electric signal. Such attribute is realized by ion mobilization in and through IPMC nanostructure. In this study we have investigated electrochemical and morphological characteristics of IPMCs by varying the morphology of their metal composite component (conductive network composite (CNC)). We have demonstrated the dependence of electrochemical properties on CNC nanostructure as well as mechanoelectrical performance of IPMC sensors as a function of CNC morphology. It is shown that the morphology of CNC can be used as a means to improve sensitivity of IPMC sensors by 3-4 folds. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Hong, Wangyujue; Almomani, Abdallah; Montazami, Reza] Iowa State Univ, Dept Mech Engn, Ames, IA 50011 USA.
[Almomani, Abdallah] Iowa State Univ, Dept Aerosp Engn, Ames, IA 50011 USA.
[Montazami, Reza] US DOE, Ames Natl Lab, Ames, IA 50011 USA.
RP Montazami, R (reprint author), Iowa State Univ, Dept Mech Engn, Ames, IA 50011 USA.
EM reza@iastate.edu
FU Health Research Initiative (HRI); Presidential Initiative for
Interdisciplinary Research (PIIR); Department of Mechanical Engineering
at Iowa State University
FX The presented work is supported in part by grants from Health Research
Initiative (HRI), Presidential Initiative for Interdisciplinary Research
(PIIR), and the Department of Mechanical Engineering at Iowa State
University.
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PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0263-2241
EI 1873-412X
J9 MEASUREMENT
JI Measurement
PD JAN
PY 2017
VL 95
BP 128
EP 134
DI 10.1016/j.measurement.2016.09.036
PG 7
WC Engineering, Multidisciplinary; Instruments & Instrumentation
SC Engineering; Instruments & Instrumentation
GA EF7FL
UT WOS:000390495400013
ER
PT J
AU Roelofs, B
Barham, M
Cliff, J
Joachimski, M
Martin, L
Trinajstic, K
AF Roelofs, Brett
Barham, Milo
Cliff, John
Joachimski, Michael
Martin, Laure
Trinajstic, Kate
TI Assessing the fidelity of marine vertebrate microfossil delta O-18
signatures and their potential for palaeo-ecological and -climatic
reconstructions
SO PALAEOGEOGRAPHY PALAEOCLIMATOLOGY PALAEOECOLOGY
LA English
DT Article
DE SIMS; GIRMS; Apatite; Temperature; Histology; Oxygen-isotopes
ID OXYGEN-ISOTOPE ANALYSIS; CONODONT APATITE DELTA-O-18; DEVONIAN MASS
EXTINCTION; WESTERN-AUSTRALIA; CANNING BASIN; SHARK TEETH; STRONTIUM
ISOTOPES; FOSSIL TOOTH; PHANEROZOIC SEAWATER; ENVIRONMENTAL-CHANGE
AB Conodont biogenic apatite has become a preferred analytical target for oxygen isotope studies investigating ocean temperature and palaeoclimate changes in the Palaeozoic. Despite the growing application in geochemically-based palaeoenvironmental reconstructions, the paucity or absence of conodont fossils in certain facies necessitates greater flexibility in selection of robust oxygen-bearing compounds for analysis. Vertebrate microfossils (teeth, dermal denticles, spines) offer a potential substitute for conodonts from the middle Palaeozoic. Vertebrate bioapatite is particularly advantageous given a fossil record extending to the present with representatives across freshwater to fully marine environments, thus widening the scope of oxygen isotope studies on bioapatite. However, significant tissue heterogeneity within vertebrates and differential susceptibility of these tissues to diagenetic alteration have been raised as potential problems affecting the reliability of the oxygen isotope ratios as palaeoclimatic proxies. Well-preserved vertebrate microfossils and co-occurring conodont fossils from the Upper Devonian and Lower Carboniferous of the Lennard Shelf, Canning Basin, Western Australia, were analysed using bulk (gas isotope ratio mass spectrometry, GIRMS) and in-situ (secondary ion mass spectrometry, SIMS) methodologies, with the latter technique allowing investigation of specific tissues within vertebrate elements. The delta O-18(conodont) results may be interpreted in terms of palaeolatitudinally and environmentally sensible palaeo-salinity and-temperature and provide a baseline standard for comparison against vertebrate microfossil delta O-18 values. Despite an absence of obvious diagenetic modification, GIRMS of vertebrate denticles yielded delta O-18 values depleted in O-18 by 2-4 parts per thousand relative to co-occurring conodonts. SIMS analysis of dentine tissues exhibited significant heterogeneity, while hypermineralised tissues in both scales and teeth produced delta O-18 values comparable with those of associated conodonts. The susceptibility of permeable phosphatic fossil tissues to microbial activity, fluid interaction and introduction of mineral precipitates post-formation is demonstrated in the dentine of vertebrate microfossils, which showed significant heterogeneity and consistent depletion in O-18 relative to conodonts. The hypermineralised tissues present in both teeth and scales appear resistant to many diagenetic processes and indicate potential for palaeoclimatic reconstructions and palaeoecological investigations. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Roelofs, Brett; Barham, Milo] Curtin Univ, Dept Appl Geol, GPO Box U1987, Perth, WA 6845, Australia.
[Barham, Milo; Trinajstic, Kate] Curtin Univ, Inst Geosci Res TIGeR, Dept Appl Geol, GPO Box U1987, Perth, WA, Australia.
[Cliff, John] Pacific Northwest Natl Lab, EMSL, POB 999, Richland, WA 99352 USA.
[Joachimski, Michael] Univ Erlangen Nurnberg, GeoZentrum Nordbayem, Schlossgarten 5, D-91054 Erlangen, Germany.
[Martin, Laure] Univ Western Australia, CMCA, Nedlands, WA 6009, Australia.
[Trinajstic, Kate] Curtin Univ, Dept Environm & Agr, GPO Box U1987, Perth, WA 6845, Australia.
RP Roelofs, B (reprint author), Curtin Univ, Dept Appl Geol, GPO Box U1987, Perth, WA 6845, Australia.
EM brett.roelofs@postgrad.curtin.edu.au
RI Joachimski, Michael/B-9477-2011
FU University, State and Commonwealth Governments; Australian Research
Council [DP 110101127]; MRIWA; WA ERA; CSIRO; Chevron Australia Business
Unit; Chevron Energy Technology Company; National Science Foundation;
Geological Survey of Western Australia
FX Thanks to Daniele Lutz from the GeoZentrum Nordbayern, University of
Erlangen-Nurnberg, Germany for aiding in the preparation of the fossil
material for analysis. BR would like to thank the anonymous reviewers of
his dissertation for their helpful comments. In addition, a thank you to
the editor Thomas Algeo and the anonymous reviewers for their invaluable
comments regarding the manuscript. The authors acknowledge the use of
equipment, scientific and technical assistance of the Curtin University
Electron Microscope Facility, which has been partially funded by the
University, State and Commonwealth Governments. In addition the authors
would also like to acknowledge the facilities, and the scientific and
technical assistance of the Australian Microscopy 82 Microanalysis
Research Facility at the Centre for Microscopy, Characterisation 82
Analysis, The University of Western Australia, a facility funded by the
University, State and Commonwealth Governments. The authors are also
indebted to Catherine Boisvert, Alison Edmunds and the Melbourne
Aquarium for providing access to water samples and naturally shed shark
teeth, collected during routine cleaning. Further appreciation goes to
Bradley McDonald for access to Durango apatite. We would also like to
thank the owners of Brooking Springs and Laurel Downs stations for
allowing access to outcrops. BR recognises the receipt of an Australian
Postgraduate Award as well as a Curtin Completion Scholarship. This
research was funded under Australian Research Council grant DP 110101127
with supporting partners including MRIWA, WA ERA, CSIRO, Chevron
Australia Business Unit, Chevron Energy Technology Company, National
Science Foundation and the Geological Survey of Western Australia.
NR 153
TC 0
Z9 0
U1 6
U2 6
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0031-0182
EI 1872-616X
J9 PALAEOGEOGR PALAEOCL
JI Paleogeogr. Paleoclimatol. Paleoecol.
PD JAN 1
PY 2017
VL 465
BP 79
EP 92
DI 10.1016/j.palaeo.2016.10.018
PN A
PG 14
WC Geography, Physical; Geosciences, Multidisciplinary; Paleontology
SC Physical Geography; Geology; Paleontology
GA EF7JB
UT WOS:000390504800006
ER
PT J
AU Owen, LR
Pickering, EJ
Playford, HY
Stone, HJ
Tucker, MG
Jones, NG
AF Owen, L. R.
Pickering, E. J.
Playford, H. Y.
Stone, H. J.
Tucker, M. G.
Jones, N. G.
TI An assessment of the lattice strain in the CrMnFeCoNi high-entropy alloy
SO ACTA MATERIALIA
LA English
DT Article
DE High-entropy alloys; Neutron diffraction; Lattice strains; Pair
correlation function
ID ATOMIC SIZE; MULTICOMPONENT ALLOYS; PRINCIPAL ELEMENTS; SCATTERING;
AL0.5CRFECONICU; MICROSTRUCTURE; PRECIPITATION; SYSTEM
AB The formation of single phase solid solutions from combinations of multiple principal elements, with differing atomic radii, has led to the suggestion that the lattices of high-entropy alloys (HEAs) must be severely distorted. To assess this hypothesis, total scattering measurements using neutron radiation have been performed on the CrMnFeCoNi alloy and compared with similar data from five compositionally simpler materials within the same system. The Bragg diffraction patterns from all of the studied materials were similar, consistent with a face-centered cubic structure, and none showed the pronounced dampening that would be expected from a highly distorted lattice. A more detailed evaluation of the local lattice strain was made by considering the first six coordination shells in the pair distribution functions (PDF), obtained from the total scattering data. Across this range, the HEA exhibited the broadest PDF peaks but these widths were not disproportionately larger than those of the simpler alloys. In addition, of all the materials considered, the HEA was at the highest homologous temperature, and hence the thermal vibrations of the atoms would be greatest. Consequently, the level of local lattice strain required to rationalise a given PDF peak width would be reduced. As a result, the data presented in this study do not indicate that the local lattice strain in the equiatomic CrMnFeCoNi HEA is anomalously large. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. This is an open access article under the CC BY license.
C1 [Owen, L. R.; Stone, H. J.; Jones, N. G.] Univ Cambridge, Dept Mat Sci & Met, 27 Charles Babbage Rd, Cambridge CB3 0FS, England.
[Owen, L. R.; Playford, H. Y.] Rutherford Appleton Lab, STFC ISIS Facil, Didcot OX11 0QX, Oxon, England.
[Pickering, E. J.] Univ Manchester, Sch Mat, Oxford Rd, Manchester M13 9PL, Lancs, England.
[Tucker, M. G.] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN USA.
RP Jones, NG (reprint author), Univ Cambridge, Dept Mat Sci & Met, 27 Charles Babbage Rd, Cambridge CB3 0FS, England.
EM ngj22@cam.ac.uk
OI Owen, Lewis/0000-0003-2311-3908; Pickering, Ed/0000-0002-7516-868X
FU EPSRC/Rolls-Royce Strategic Partnership [EP/M005607/1, EP/H022309]
FX The authors would like to thank K. Christofidou, K. Roberts and S.
Rhodes for their assistance, the Science and Technology Facilities
Council for providing access to the Polaris instrument at ISIS
(RB1520332) and the EPSRC/Rolls-Royce Strategic Partnership for funding
(EP/M005607/1 and EP/H022309).
NR 35
TC 1
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U1 42
U2 42
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 1359-6454
EI 1873-2453
J9 ACTA MATER
JI Acta Mater.
PD JAN 1
PY 2017
VL 122
BP 11
EP 18
DI 10.1016/j.actamat.2016.09.082
PG 8
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA EE4EY
UT WOS:000389556300002
ER
PT J
AU Tourret, D
Song, Y
Clarke, AJ
Karma, A
AF Tourret, D.
Song, Y.
Clarke, A. J.
Karma, A.
TI Grain growth competition during thin-sample directional solidification
of dendritic microstructures: A phase-field study
SO ACTA MATERIALIA
LA English
DT Article
DE Microstructure selection; Dendritic growth; Directional solidification;
Phase-field method
ID BINARY ALLOY; MODEL; ORIENTATION; NOISE; SIMULATIONS; SUPERALLOYS;
SELECTION; PATTERNS
AB We present the results of a comprehensive phase-field study of columnar grain growth competition in bi-crystalline samples in two dimensions (2D) and in three dimensions (3D) for small sample thicknesses allowing a single row of dendrites to form. We focus on the selection of grain boundary (GB) orientation during directional solidification in the steady-state dendritic regime, and study its dependence upon the orientation of two competing grains. In 2D, we map the entire orientation range for both grains, performing several simulations for each configuration to account for the stochasticity of GB orientation selection and to assess the average GB behavior. We find that GB orientation selection depends strongly on whether the primary dendrite growth directions have lateral components (i.e. components perpendicular to the axis of the temperature gradient) that point in the same or opposite directions in the two grains. We identify a range of grain orientations in which grain selection follows the classical description of Walton and Chalmers. We also identify conditions that favor unusual overgrowth of favorably-oriented dendrites at a converging GB. We propose a simple analytical description that reproduces the average GB orientation selection from 2D simulations within statistical fluctuations of a few degrees. In 3D, we find a similar GB orientation selection as in 2D when secondary branches grow in planes parallel and perpendicular to the sample walls. Remarkably, quasi-2D behavior is also observed even when those perpendicular sidebranching planes are rotated by a finite azimuthal angle about the primary dendrite growth axis as long as the absolute values of those azimuthal angles are equal in both grains. In contrast, when the absolute values of those azimuthal angles differ markedly, we find that unusual overgrowth events at a converging GB are promoted by a high azimuthal angle in the least-favorably-oriented grain. We also find that diverging GBs can be strongly affected by those azimuthal angles, while converging GBs exhibit a weak dependence on those angles. For diverging GBs, GB orientation is also strongly affected by the relative signs of the lateral components of the primary dendrite growth directions in both grains. Published by Elsevier Ltd on behalf of Acta Materialia Inc.
C1 [Tourret, D.; Clarke, A. J.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA.
[Song, Y.; Karma, A.] Northeastern Univ, Dept Phys, Boston, MA 02115 USA.
[Song, Y.; Karma, A.] Northeastern Univ, Ctr Interdisciplinary Res Complex Syst, Boston, MA 02115 USA.
[Clarke, A. J.] Colorado Sch Mines, George S Ansell Dept Met Mat Engn, Golden, CO 80401 USA.
RP Tourret, D (reprint author), Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA.
EM dtourret@lanl.gov
RI Tourret, Damien/B-2854-2017
OI Tourret, Damien/0000-0003-4574-7004
FU U.S. Department of Energy through a Director's Postdoctoral Fellowship
of the LANL/LDRD Program; U.S. Department of Energy, Office of Basic
Energy Sciences, Division of Materials Sciences and Engineering; NASA
[NNX16AB54G]
FX D.T. gratefully acknowledges the support of the U.S. Department of
Energy through a Director's Postdoctoral Fellowship of the LANL/LDRD
Program. Simulations in 2D were supported by an Early Career award from
the U.S. Department of Energy, Office of Basic Energy Sciences, Division
of Materials Sciences and Engineering (A.J.C). Simulations in 3D were
supported by NASA grant NNX16AB54G (Y.S. and A.K.).
NR 49
TC 3
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U1 23
U2 23
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 1359-6454
EI 1873-2453
J9 ACTA MATER
JI Acta Mater.
PD JAN 1
PY 2017
VL 122
BP 220
EP 235
DI 10.1016/j.actamat.2016.09.055
PG 16
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA EE4EY
UT WOS:000389556300021
ER
PT J
AU Shi, Q
Liu, WJ
Qu, QT
Gao, T
Wang, Y
Liu, G
Battaglia, VS
Zheng, HH
AF Shi, Qiang
Liu, Weijie
Qu, Qunting
Gao, Tian
Wang, Yan
Liu, Gao
Battaglia, Vincent S.
Zheng, Honghe
TI Robust solid/electrolyte interphase on graphite anode to suppress
lithium inventory loss in lithium-ion batteries
SO CARBON
LA English
DT Article
ID ATOMIC LAYER DEPOSITION; LI-ION; COATED GRAPHITE; RECHARGEABLE
BATTERIES; CARBONATE ELECTROLYTE; CYCLING PERFORMANCE; NATURAL GRAPHITE;
CAPACITY LOSS; HIGH-POWER; CELL
AB Lithium inventory loss is the most important reason for capacity decay of commercial lithium ion batteries. To suppress lithium inventory loss and prolong the battery cycle-life, sodium maleate (SM) is coated onto the surface of graphite active materials and act as the starting material for in-situ growth of SEI film. Microscopic studies show that the SM salt is uniformly dispersed on the graphite particles. The SM coating favors the formation of robust solid electrolyte interphase (SEI) due to its abundant carboxyl group and improves the mechanical property due to the polymerization between the unsaturated bonds. With 3.0 wt% SM coating, the first columbic efficiency, cycling stability and rate capability of the graphite anode are simultaneously improved. Electrochemical impedance spectroscopy (EIS) studies and scanning electron microscope (SEM) observations show that continuous lithium deposit on the graphite surface arising from the SEI instability during long-term electrochemical cycles is effectively suppressed. Cycle-life of the full cell assembled with LiFePO4 cathode and 3.0 wt% SM coated graphite anode is thus significantly prolonged. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Shi, Qiang; Liu, Weijie; Qu, Qunting; Gao, Tian; Wang, Yan; Zheng, Honghe] Soochow Univ, Coll Phys Optoelect & Energy, Suzhou 215006, Jiangsu, Peoples R China.
[Shi, Qiang; Liu, Weijie; Qu, Qunting; Gao, Tian; Wang, Yan; Zheng, Honghe] Soochow Univ, Collaborat Innovat Ctr Suzhou Nano Sci & Technol, Suzhou 215006, Jiangsu, Peoples R China.
[Liu, Gao; Battaglia, Vincent S.] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
RP Qu, QT; Zheng, HH (reprint author), Soochow Univ, Coll Phys Optoelect & Energy, Suzhou 215006, Jiangsu, Peoples R China.; Qu, QT; Zheng, HH (reprint author), Soochow Univ, Collaborat Innovat Ctr Suzhou Nano Sci & Technol, Suzhou 215006, Jiangsu, Peoples R China.
EM qtqu@suda.edu.cn; hhzheng@suda.edu.cn
FU 863 project, Department of Science and Technologies, China
[2015AA034601]; National Natural Science Foundation of China (NSFC)
[21473120, 51272168, 21403148]
FX The authors are greatly indebted to the funding of 863 project,
Department of Science and Technologies, China (Project No. 2015AA034601)
and the funding of National Natural Science Foundation of China (NSFC,
contract no. 21473120, 51272168 and 21403148).
NR 38
TC 0
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U1 50
U2 50
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0008-6223
EI 1873-3891
J9 CARBON
JI Carbon
PD JAN
PY 2017
VL 111
BP 291
EP 298
DI 10.1016/j.carbon.2016.10.008
PG 8
WC Chemistry, Physical; Materials Science, Multidisciplinary
SC Chemistry; Materials Science
GA EE4EQ
UT WOS:000389555500034
ER
PT J
AU Bahadur, J
Contescu, CI
Rai, DK
Gallego, NC
Melnichenko, YB
AF Bahadur, J.
Contescu, C. I.
Rai, D. K.
Gallego, N. C.
Melnichenko, Y. B.
TI Clustering of water molecules in ultramicroporous carbon: In-situ
small-angle neutron scattering
SO CARBON
LA English
DT Article
ID ACTIVATED CARBON; VAPOR ADSORPTION; DISORDERED CARBONS; NANOPORES;
MODEL; TEMPERATURE; ADSORBENTS; NANOSPACES; SIMULATION; AQUAPORIN
AB The adsorption of water is central to most of the applications of microporous carbon as adsorbent material. We report early kinetics of water adsorption in ultramicroporous carbon using in-situ small-angle neutron scattering. It is observed that adsorption of water occurs via cluster formation. Interestingly, the cluster size remains constant throughout the adsorption process whereas the number density of clusters increases with time. The role of surface chemistry of microporous carbon on the early kinetics of adsorption process was also investigated. The present study provides direct experimental evidence for cluster assisted adsorption of water molecules in microporous carbon (Do-Do model). (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Bahadur, J.; Rai, D. K.; Melnichenko, Y. B.] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA.
[Contescu, C. I.; Gallego, N. C.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
[Contescu, C. I.] Bhabha Atom Res Ctr, Div Solid State Phys, Bombay 400085, Maharashtra, India.
RP Bahadur, J (reprint author), Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA.; Contescu, CI (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.; Contescu, CI (reprint author), Bhabha Atom Res Ctr, Div Solid State Phys, Bombay 400085, Maharashtra, India.
EM jbahadur@barc.gov.in; contescuci@ornl.gov
RI Dickey, Mark/B-3794-2009;
OI Dickey, Mark/0000-0002-9650-8049; Contescu,
Cristian/0000-0002-7450-3722; Bahadur, Jitendra/0000-0002-2547-2907;
Gallego, Nidia/0000-0002-8252-0194; Rai, Durgesh/0000-0001-7257-7210
FU Scientific User Facilities Division, Office of Basic Energy Sciences,
U.S. Department of Energy [DE-AC05-00OR22725]; ORNL Laboratory Directed
Research and Development (LDRD) program; ORNL Postdoctoral Research
Associates Program; Oak Ridge Institute for Science and Education;
Materials Science and Engineering Division, Office of Basic Energy
Sciences, U.S. Department of Energy [DE-AC05-00OR22725];
Laboratory-Directed Research and Development Program of Oak Ridge
National Laboratory
FX The research at Oak Ridge National Laboratory's (ORNL) High Flux Isotope
Reactor was sponsored by the Scientific User Facilities Division, Office
of Basic Energy Sciences, U.S. Department of Energy under Contract
DE-AC05-00OR22725 and by ORNL Laboratory Directed Research and
Development (LDRD) program. This research was supported in part by the
ORNL Postdoctoral Research Associates Program, administered jointly by
the ORNL and the Oak Ridge Institute for Science and Education. CIC and
NCG acknowledge support from the Materials Science and Engineering
Division, Office of Basic Energy Sciences, U.S. Department of Energy
under Contract DE-AC05-00OR22725. DKR acknowledges support by the
Laboratory-Directed Research and Development Program of Oak Ridge
National Laboratory.
NR 49
TC 0
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U1 10
U2 10
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0008-6223
EI 1873-3891
J9 CARBON
JI Carbon
PD JAN
PY 2017
VL 111
BP 681
EP 688
DI 10.1016/j.carbon.2016.10.040
PG 8
WC Chemistry, Physical; Materials Science, Multidisciplinary
SC Chemistry; Materials Science
GA EE4EQ
UT WOS:000389555500076
ER
PT J
AU Mamontov, E
Yue, Y
Bahadur, J
Guo, J
Contescu, CI
Gallego, NC
Melnichenko, YB
AF Mamontov, E.
Yue, Y.
Bahadur, J.
Guo, J.
Contescu, C. I.
Gallego, N. C.
Melnichenko, Y. B.
TI Hydration level dependence of the microscopic dynamics of water adsorbed
in ultramicroporous carbon
SO CARBON
LA English
DT Article
ID ACTIVATED CARBONS; VAPOR ADSORPTION; NEUTRON-SCATTERING; POROUS CARBONS;
WETTABILITY; NANOPORES; SORPTION
AB Even when not functionalized intentionally, most carbon materials are not hydrophobic and readily adsorb water molecules from atmospheric water vapor. We have equilibrated an ultramicroporous carbon at several levels of relative humidity, thereby attaining various hydration levels. The water molecules were adsorbed on the pore walls (but did not fill completely the pore volume) and thus could be better described as hydration, or surface, rather than confined, water. We used quasielastic neutron scattering to perform a detailed investigation of the dependence of microscopic dynamics of these adsorbed water species on the hydration level and temperature. The behavior of hydration water in ultramicroporous carbon clearly demonstrates the same universal traits that characterize surface (hydration) water in other materials that are surface-hydrated. Thus, unless special treatment is intentionally applied to ultramicroporous carbon, the species filling its pores in various applications, ranging from hydrogen molecules to electrolytes, likely find themselves in contact with non-freezing water molecules characterized by rich microscopic dynamics. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Mamontov, E.] Oak Ridge Natl Lab, Neutron Sci Directorate, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA.
[Yue, Y.; Guo, J.; Contescu, C. I.; Gallego, N. C.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
[Bahadur, J.; Melnichenko, Y. B.] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA.
[Yue, Y.] Sul Ross State Univ, Dept Biol Geol & Phys Sci, Alpine, TX 79832 USA.
[Bahadur, J.] Bhabha Atom Res Ctr, Div Solid State Phys, Bombay 400085, Maharashtra, India.
[Guo, J.] Taiyuan Univ Technol, Minist Educ, Key Lab Interface Sci & Engn Adv Mat, Taiyuan 030024, Peoples R China.
RP Mamontov, E (reprint author), Oak Ridge Natl Lab, Neutron Sci Directorate, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA.
EM mamontove@ornl.gov
RI Mamontov, Eugene/Q-1003-2015; guo, junjie/I-3189-2012;
OI Mamontov, Eugene/0000-0002-5684-2675; guo, junjie/0000-0002-3414-3734;
Contescu, Cristian/0000-0002-7450-3722; Gallego,
Nidia/0000-0002-8252-0194
FU Scientific User Facilities Division, Office of Basic Energy Sciences,
U.S. Department of Energy; Materials Science and Engineering Division,
Office of Basic Energy Sciences, U.S. Department of Energy; ORNL
Postdoctoral Research Associates Program; Oak Ridge Institute for
Science and Education; US Department of Energy (DOE) [DE-AC05-
00OR22725]
FX The neutron scattering experiments on BASIS at Oak Ridge National
Laboratory's Spallation Neutron Source (SNS) were supported by the
Scientific User Facilities Division, Office of Basic Energy Sciences,
U.S. Department of Energy. CIC and NCG acknowledge support from the
Materials Science and Engineering Division, Office of Basic Energy
Sciences, U.S. Department of Energy. YY, JG and JB acknowledge partial
support from the ORNL Postdoctoral Research Associates Program,
administered jointly by the ORNL and the Oak Ridge Institute for Science
and Education. ORNL is managed by UT-Battelle, LLC, for the US
Department of Energy (DOE) under contract no. DE-AC05- 00OR22725.
NR 44
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U1 11
U2 11
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0008-6223
EI 1873-3891
J9 CARBON
JI Carbon
PD JAN
PY 2017
VL 111
BP 705
EP 712
DI 10.1016/j.carbon.2016.10.052
PG 8
WC Chemistry, Physical; Materials Science, Multidisciplinary
SC Chemistry; Materials Science
GA EE4EQ
UT WOS:000389555500078
ER
PT J
AU McNutt, NW
Rios, O
Maroulas, V
Keffer, DJ
AF McNutt, Nicholas W.
Rios, Orlando
Maroulas, Vasileios
Keffer, David J.
TI Interfacial Li-ion localization in hierarchical carbon anodes
SO CARBON
LA English
DT Article
ID REACTIVE FORCE-FIELD; MOLECULAR-DYNAMICS; LITHIUM INSERTION; COMPOSITE;
BINDING; SYSTEMS
AB An understanding of the nanoscale structure and energetics of carbon composites is critical for their applications in electric energy storage. Here, we study the properties of carbon anodes synthesized from low-cost renewable lignin biopolymers for use in energy storage applications such as Li-ion batteries. The anodes possess both nanoscale and mesoscale order, consisting of carbon nanocrystallites distributed within an amorphous carbon matrix. Molecular dynamics simulations of an experimentally validated model of the anode is used to elucidate the nature of Li-ion storage. We report the discovery of a novel mechanism of Li-ion storage, one in which Li+ is not intercalated between layers of carbon (as is the case in graphitic anodes), but rather is localized at the interface of crystalline carbon domains. In particular, the effects of Li-ion binding energy on the Li-Li, Li-H, and Li-C pair distribution functions are revealed, along with the effect on charge distribution. Lastly, the atomic environments surrounding the Li-ions are grouped on the basis of ion energy and then convolved into archetypal structural motifs that reveal deep insight into the geometry of ion localization in disordered systems. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [McNutt, Nicholas W.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
[Rios, Orlando] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37830 USA.
[Maroulas, Vasileios] Univ Tennessee, Dept Math, Knoxville, TN 37996 USA.
[Keffer, David J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
RP Keffer, DJ (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
EM dkeffer@utk.edu
RI Rios, Orlando/E-6856-2017;
OI Rios, Orlando/0000-0002-1814-7815; Keffer, David/0000-0002-6246-0286
FU Oak Ridge Associated Universities High Performance Computing Program;
Sustainable Energy Education and Research Center of the University of
Tennessee; National Science Foundation [DGE-0801470]; STAIR program at
the University of Tennessee; NSF [OCI 07-11134.5]; Critical Materials
Institute, an Energy Innovation Hub - U.S. Department of Energy, Office
of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office
[DE-AC05-00OR22725]; U.S. Department of Energy, Office of Basic Energy
Sciences
FX N.M. was supported by a grant from the Oak Ridge Associated Universities
High Performance Computing Program, by a grant from the Sustainable
Energy Education and Research Center of the University of Tennessee, by
a grant from the National Science Foundation (DGE-0801470), and by the
STAIR program at the University of Tennessee. This research project used
resources of the National Institute for Computational Sciences (NICS)
supported by NSF under agreement number: OCI 07-11134.5. This research
was in part sponsored by the Critical Materials Institute, an Energy
Innovation Hub funded by the U.S. Department of Energy, Office of Energy
Efficiency and Renewable Energy, Advanced Manufacturing Office
(DE-AC05-00OR22725). This research at Oak Ridge National Laboratory's
Spallation Neutron Source was sponsored by the U.S. Department of
Energy, Office of Basic Energy Sciences.
NR 23
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U1 19
U2 19
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0008-6223
EI 1873-3891
J9 CARBON
JI Carbon
PD JAN
PY 2017
VL 111
BP 828
EP 834
DI 10.1016/j.carbon.2016.10.061
PG 7
WC Chemistry, Physical; Materials Science, Multidisciplinary
SC Chemistry; Materials Science
GA EE4EQ
UT WOS:000389555500092
ER
PT J
AU Asahina, D
Aoyagi, K
Kim, K
Birkholzer, JT
Bolander, JE
AF Asahina, Daisuke
Aoyagi, Kazuhei
Kim, Kunhwi
Birkholzer, Jens T.
Bolander, John E.
TI Elastically-homogeneous lattice models of damage in geomaterials
SO COMPUTERS AND GEOTECHNICS
LA English
DT Article
DE Discrete methods; 3D irregular lattice; Poisson effect; Horonobe URL;
Brittle damage pattern
ID PARTICLE MODEL; UNIAXIAL COMPRESSION; IRREGULAR LATTICES; RANDOM
GEOMETRY; FRACTURE; ROCK; CONTINUA; STRENGTH
AB This study involves the development of the auxiliary stress approach for producing elastically homogeneous lattice models of damage in geomaterials. The lattice models are based on random, three-dimensional assemblages of rigid-body-spring elements. Unlike conventional lattice or particle models, the elastic constants of a material (e.g., Young's modulus and Poisson's ratio) are represented properly in both global and local senses, without any need for calibration. The proposed approach is demonstrated and validated through analyses of homogeneous and heterogeneous systems under uni- and tri-axial loading conditions. Comparisons are made with analytical solutions and finite element results. Thereafter, the model is used to simulate a series of standard laboratory tests: (a) split cylinder tests, and (b) uniaxial compressive tests of sedimentary rocks at the Horonobe Underground Research Laboratory in Hokkaido, Japan. Model inputs are based on physical quantities measured in the experiments. The simulation results agree well with the experimental results in terms of pre-peak stress-strainf displacement responses, strength measurements, and failure patterns. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Asahina, Daisuke] Natl Inst Adv Ind Sci & Technol, Geol Survey Japan, Higashi 1-1-1,Cent 7, Tsukuba, Ibaraki 3058567, Japan.
[Aoyagi, Kazuhei] Japan Atom Energy Agcy JAEA, Horonobe Underground Res Dept, Sector Decommissioning & Radioact Wastes Manageme, Sapporo, Hokkaido, Japan.
[Kim, Kunhwi; Birkholzer, Jens T.] Lawrence Berkeley Natl Lab, Earth & Environm Sci Area, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Bolander, John E.] Univ Calif Davis, Dept Civil & Environm Engn, One Shields Ave, Davis, CA 95616 USA.
RP Asahina, D (reprint author), Natl Inst Adv Ind Sci & Technol, Geol Survey Japan, Higashi 1-1-1,Cent 7, Tsukuba, Ibaraki 3058567, Japan.
EM d-asahina@aist.go.jp
RI Birkholzer, Jens/C-6783-2011
OI Birkholzer, Jens/0000-0002-7989-1912
NR 33
TC 1
Z9 1
U1 4
U2 4
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0266-352X
EI 1873-7633
J9 COMPUT GEOTECH
JI Comput. Geotech.
PD JAN
PY 2017
VL 81
BP 195
EP 206
DI 10.1016/j.compgeo.2016.08.015
PG 12
WC Computer Science, Interdisciplinary Applications; Engineering,
Geological; Geosciences, Multidisciplinary
SC Computer Science; Engineering; Geology
GA ED9CA
UT WOS:000389166600017
ER
PT J
AU Janka, O
Zaikina, JV
Bux, SK
Tabatabaifar, H
Yang, H
Browning, ND
Kauzlarich, SM
AF Janka, Oliver
Zaikina, Julia V.
Bux, Sabah K.
Tabatabaifar, Hosna
Yang, Hao
Browning, Nigel D.
Kauzlarich, Susan M.
TI Microstructure investigations of Yb- and Bi-doped Mg2Si prepared from
metal hydrides for thermoelectric applications
SO JOURNAL OF SOLID STATE CHEMISTRY
LA English
DT Article
DE Magnesium silicide; Thermoelectric materials; Ytterbium; Bismuth
ID SILICON; SEMICONDUCTORS; YTTERBIUM; SYSTEM; MGH2
AB Within the field of thermoelectric materials for energy conversion magnesium silicide, Mg2Si, is an outstanding candidate due to its low density, abundant constituents and low toxicity. However electronic and thermal tuning of the material is a required necessity to improve its Figure of Merit, zT. Doping of Yb via reactive YbH2 into the structure is performed with the goal of reducing the thermal conductivity. Hydrogen is released as a by-product at high temperatures allowing for facile incorporation of Yb into the structure. We report on the properties of Yb-and Bi-doped Mg2Si prepared with MgH2 and YbH2 with the focus on the synthetic conditions, and samples' microstructure, investigated by various electron microscopy techniques. Yb is found in the form of both Yb3Si5 inclusions and Yb dopant segregated at the grain boundary substituting for Mg. The addition of 1 at% Yb concentration reduced the thermal conductivity, providing a value of 30 mW/cm K at 800 K. In order to adjust carrier concentration, the sample is additionally doped with Bi. The impact of the microstructure on the transport properties of the obtained material is studied. Idealy, the reduction of the thermal conductivity is achieved by doping with Yb and the electronic transport is adjusted by doping with Bi. Large grain microstructure facilitates the electronic transport. However, the synthetic conditions that provide the optimized microstructure for electrical transport do not facilitate the additional Yb dopant incorporation. Therefore, the Yb and Bi containing sample with the optimized microstructure provides a zT=0.46 at 800 K.
C1 [Janka, Oliver; Zaikina, Julia V.; Tabatabaifar, Hosna; Kauzlarich, Susan M.] Univ Calif Davis, Dept Chem, One Shields Ave, Davis, CA 95616 USA.
[Bux, Sabah K.] CALTECH, Jet Prop Lab, Thermal Energy Convers Technol Grp, 4800 Oak Grove Dr, Pasadena, CA 91125 USA.
[Yang, Hao; Browning, Nigel D.] Pacific Northwest Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA.
[Janka, Oliver] Westfalische Wilhelms Univ, Inst Anorgan & Analyt Chem, Corrensstr 28-30, D-48161 Munster, Germany.
RP Kauzlarich, SM (reprint author), Univ Calif Davis, Dept Chem, One Shields Ave, Davis, CA 95616 USA.
FU NSF/DOE Partnership [CBET-1048799, DMR-1405973]; UC Davis; Department of
Energy's Office of Biological and Environmental Research (DOE BER)
located at PNNL; Battelle Memorial Institute for the DOE
[DE-AC05-76RL01830]; NASA Science Missions Directorate's Radioisotope
Power Systems Thermoelectric Technology Development Project
FX We thank Greg Baxter for sample preparation for microprobe analysis and
Nick Botto for the measurements. We gratefully acknowledge financial
support from NSF/DOE Partnership CBET-1048799, DMR-1405973, and UC
Davis.; A portion of this research is part of the Chemical Imaging
Initiative conducted under the Laboratory Directed Research and
Development (LDRD) Program at Pacific Northwest National Laboratory
(PNNL) and was performed at the Environmental Molecular Sciences
Laboratory (EMSL), a national scientific user facility sponsored by the
Department of Energy's Office of Biological and Environmental Research
(DOE BER) located at PNNL, a multiprogram national laboratory operated
by Battelle Memorial Institute for the DOE under Contract
DE-AC05-76RL01830.; Part of this work was carried out at the Jet
Propulsion Laboratory, California Institute of Technology, under a
contract with the National Aeronautics and Space Administration. This
work supported by the NASA Science Missions Directorate's Radioisotope
Power Systems Thermoelectric Technology Development Project.
NR 33
TC 0
Z9 0
U1 16
U2 16
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0022-4596
EI 1095-726X
J9 J SOLID STATE CHEM
JI J. Solid State Chem.
PD JAN
PY 2017
VL 245
BP 152
EP 159
DI 10.1016/j.jssc.2016.10.011
PG 8
WC Chemistry, Inorganic & Nuclear; Chemistry, Physical
SC Chemistry
GA EE4IU
UT WOS:000389566300021
ER
PT J
AU Madeen, EP
Lohr, CV
You, H
Siddens, LK
Krueger, SK
Dashwood, RH
Gonzalez, FJ
Baird, WM
Ho, E
Bramer, L
Waters, KM
Williams, DE
AF Madeen, Erin P.
Lohr, Christiane V.
You, Hannah
Siddens, Lisbeth K.
Krueger, Sharon K.
Dashwood, Roderick H.
Gonzalez, Frank J.
Baird, William M.
Ho, Emily
Bramer, Lisa
Waters, Katrina M.
Williams, David E.
TI Dibenzo[def,p]chrysene transplacental carcinogenesis in wild-type,
Cyp1b1 knockout, and CYP1B1 humanized mice
SO MOLECULAR CARCINOGENESIS
LA English
DT Article
DE PAH carcinogenesis; transplacental cancer; cytochrome P450 1B1; CYP1B1
humanized mice
ID POLYCYCLIC AROMATIC-HYDROCARBONS; CYTOCHROME P4501B1; AH RECEPTOR; MOUSE
CYP1B1; DNA-ADDUCTS; CANCER; EXPRESSION; GENE; EXPOSURE; TISSUE
AB The cytochrome P450 (CYP) 1 family is active toward numerous environmental pollutants, including polycyclic aromatic hydrocarbons (PAHs). Utilizing a mouse model, null for Cyp1b1 and expressing human CYP1B1, we tested the hypothesis that hCYP1B1 is important for dibenzo[def,p]chrysene (DBC) transplacental carcinogenesis. Wild-type mCyp1b1, transgenic hCYP1B1 (mCyp1b1 null background), and mCyp1b1 null mice were assessed. Each litter had an equal number of siblings with Ahr(b-1/d) and Ahr(d/d) alleles. Pregnant mice were dosed (gavage) on gestation day 17 with 6.5 or 12mg/kg of DBC or corn oil. At 10 months of age, mortality, general health, lymphoid disease and lung tumor incidence, and multiplicity were assessed. hCYP1B1 genotype did not impact lung tumor multiplicity, but tended to enhance incidence compared to Cyp1b1 wild-type mice (P=0.07). As with Cyp1b1 in wild-type mice, constitutive hCYP1B1 protein is non-detectable in liver but was induced with 2,3,7,8-tetrachlorodibenzo-p-dioxin. Wild-type mice were 59% more likely to succumb to T-cell Acute Lymphoblastic Leukemia (T-ALL). Unlike an earlier examination of the Ahr genotype in this model (Yu et al., Cancer Res, 2006;66:755-762), but in agreement with a more recent study (Shorey et al., Toxicol Appl Pharmacol, 2013;270:60-69), this genotype was not associated with lung tumor incidence, multiplicity, or mortality. Sex was not significant with respect to lung tumor incidence or mortality but males exhibited significantly greater multiplicity. Lung tumor incidence was greater in mCyp1b1 nulls compared to wild-type mice. To our knowledge, this is the first application of a humanized mouse model in transplacental carcinogenesis. (c) 2016 Wiley Periodicals, Inc.
C1 [Madeen, Erin P.; Siddens, Lisbeth K.; Baird, William M.; Williams, David E.] Oregon State Univ, Dept Mol & Environm Toxicol, Corvallis, OR 97331 USA.
[Madeen, Erin P.; Lohr, Christiane V.; You, Hannah; Siddens, Lisbeth K.; Krueger, Sharon K.; Ho, Emily; Williams, David E.] Oregon State Univ, Canc Prevent & Intervent Program, Linus Pauling Inst, Corvallis, OR 97331 USA.
[Madeen, Erin P.; Lohr, Christiane V.; Krueger, Sharon K.; Baird, William M.; Bramer, Lisa; Waters, Katrina M.; Williams, David E.] Oregon State Univ, Superfund Res Program, Corvallis, OR 97331 USA.
[Lohr, Christiane V.] Oregon State Univ, Coll Vet Med, Corvallis, OR 97331 USA.
[Dashwood, Roderick H.] Univ Texas MD Anderson Canc Ctr, Ctr Epigenet & Dis Prevent, Houston, TX 77030 USA.
[Gonzalez, Frank J.] NCI, Ctr Canc Res, Bethesda, MD 20892 USA.
[Ho, Emily] Oregon State Univ, Dept Nutr & Exercise Sci, Corvallis, OR 97331 USA.
[Bramer, Lisa; Waters, Katrina M.] Pacific Northwest Natl Lab, Div Biol Sci, Richland, WA USA.
RP Williams, DE (reprint author), Oregon State Univ, Dept Mol & Environm Toxicol, Corvallis, OR 97331 USA.
EM david.williams@oregonstate.edu
FU PHS NIH [P01CA90890, P42ES016465, T32ES07060]; Pacific Northwest
National Laboratory [DE-AC05-76RLO1830]
FX The authors would like to thank the following individuals for their
contributions. Jamie Pennington assisted with handling and dosing of
mice while Dr. Nancy Kerkvliet (Oregon State University) provided
expertise and TCDD used for dosing. Tissue collection and preparation
assistance was provided by David Sampson, Jessica Phillips, Dr. Tod
Harper, and Melissa McDougal. The hCYP1B1 antibody was provided by Dr.
Craig Marcus and the mCyp1a1 protein control was provided by Edward
O'Donnell (both, Oregon State University). Funding was provided by PHS
NIH grants P01CA90890, P42ES016465 and T32ES07060 (EPM). Pacific
Northwest National Laboratory is a multi-program national laboratory
operated by Battelle Memorial Institute for the DOE under contract
number DE-AC05-76RLO1830.
NR 54
TC 0
Z9 0
U1 5
U2 5
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0899-1987
EI 1098-2744
J9 MOL CARCINOGEN
JI Mol. Carcinog.
PD JAN
PY 2017
VL 56
IS 1
BP 163
EP 171
DI 10.1002/mc.22480
PG 9
WC Biochemistry & Molecular Biology; Oncology
SC Biochemistry & Molecular Biology; Oncology
GA EE9EZ
UT WOS:000389930000012
PM 26990437
ER
PT J
AU Toutounchian, JJ
Pagadala, J
Miller, DD
Baudry, J
Park, F
Chaum, E
Yates, CR
AF Toutounchian, Jordan J.
Pagadala, Jayaprakash
Miller, Duane D.
Baudry, Jerome
Park, Frank
Chaum, Edward
Yates, Charles R.
TI Novel Small Molecule JP-153 Targets the Src-FAK-Paxillin Signaling
Complex to Inhibit VEGF-Induced Retinal Angiogenesis
SO MOLECULAR PHARMACOLOGY
LA English
DT Article
ID ENDOTHELIAL-GROWTH-FACTOR; FOCAL ADHESION KINASE; OXYGEN-INDUCED
RETINOPATHY; TUMOR ANGIOGENESIS; TYROSINE PHOSPHORYLATION; RADIATION
RETINOPATHY; MACULAR DEGENERATION; VISUAL FUNCTION; CELL-ADHESION; LD
MOTIFS
AB Targeting vascular endothelial growth factor (VEGF) is a common treatment strategy for neovascular eye disease, a major cause of vision loss in diabetic retinopathy and age-related macular degeneration. However, the decline in clinical efficacy over time in many patients suggests that monotherapy of anti-VEGF protein therapeutics may benefit from adjunctive treatments. Our previous work has shown that through decreased activation of the cytoskeletal protein paxillin, growth factor-induced ischemic retinopathy in the murine oxygen-induced retinopathy model could be inhibited. In this study, we demonstrated that VEGFdependent activation of the Src/FAK/paxillin signalsome is required for human retinal endothelial cell migration and proliferation. Specifically, the disruption of focal adhesion kinase (FAK) and paxillin interactions using the small molecule JP-153 inhibited Src-dependent phosphorylation of paxillin (Y118) and downstream activation of Akt (S473), resulting in reduced migration and proliferation of retinal endothelial cells stimulated with VEGF. However, this effect did not prevent the initial activation of either Src or FAK. Furthermore, topical application of a JP-153-loaded microemulsion affected the hallmark features of pathologic retinal angiogenesis, reducing neovascular tuft formation and increased avascular area, in a dose-dependent manner. In conclusion, our results suggest that using small molecules to modulate the focal adhesion protein paxillin is an effective strategy for treating pathologic retinal neovascularization. To our knowledge, this is the first paradigm validating modulation of paxillin to inhibit angiogenesis. As such, we have identified and developed a novel class of small molecules aimed at targeting focal adhesion protein interactions that are essential for pathologic neovascularization in the eye.
C1 [Toutounchian, Jordan J.; Pagadala, Jayaprakash; Miller, Duane D.; Park, Frank; Yates, Charles R.] Univ Tennessee, Ctr Hlth Sci, Dept Pharmaceut Sci, Memphis, TN 38163 USA.
[Chaum, Edward; Yates, Charles R.] Univ Tennessee, Dept Ophthalmol, Memphis, TN 38163 USA.
[Baudry, Jerome] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA.
[Baudry, Jerome] Oak Ridge Natl Lab, UT ORNL Ctr Mol Biophys, Oak Ridge, TN USA.
RP Yates, CR (reprint author), Univ Tennessee, Dept Pharmaceut Sci, 881 Madison Ave,Pharm Bldg Room 446, Memphis, TN 38163 USA.
EM cyates4@uthsc.edu
FU University of Tennessee College of Pharmacy; University of Tennessee
Research Foundation
FX The authors thank Drs. Bilal Aleiwi and Shivaputra Patil for help with
the synthetic chemistry of JP-153 and the University of Tennessee
College of Pharmacy and the University of Tennessee Research Foundation
for financial support.
NR 64
TC 0
Z9 0
U1 3
U2 3
PU AMER SOC PHARMACOLOGY EXPERIMENTAL THERAPEUTICS
PI BETHESDA
PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3995 USA
SN 0026-895X
EI 1521-0111
J9 MOL PHARMACOL
JI Mol. Pharmacol.
PD JAN 1
PY 2017
VL 91
IS 1
BP 1
EP 13
DI 10.1124/mol.116.105031
PG 13
WC Pharmacology & Pharmacy
SC Pharmacology & Pharmacy
GA EE4WZ
UT WOS:000389607600001
PM 27913654
ER
PT J
AU Rogers, A
Medlyn, BE
Dukes, JS
Bonan, G
von Caemmerer, S
Dietze, MC
Kattge, J
Leakey, ADB
Mercado, LM
Niinemets, U
Prentice, IC
Serbin, SP
Sitch, S
Way, DA
Zaehle, S
AF Rogers, Alistair
Medlyn, Belinda E.
Dukes, Jeffrey S.
Bonan, Gordon
von Caemmerer, Susanne
Dietze, Michael C.
Kattge, Jens
Leakey, Andrew D. B.
Mercado, Lina M.
Niinemets, Ulo
Prentice, I. Colin
Serbin, Shawn P.
Sitch, Stephen
Way, Danielle A.
Zaehle, Sonke
TI A roadmap for improving the representation of photosynthesis in Earth
system models
SO NEW PHYTOLOGIST
LA English
DT Editorial Material
DE carbon dioxide CO2; light; soil water content; stomatal conductance;
temperature; terrestrial biosphere models; vapor pressure deficit (VPD)
ID PLANT FUNCTIONAL TYPES; AIR CO2 ENRICHMENT; ENVIRONMENT SIMULATOR JULES;
MESOPHYLL DIFFUSION CONDUCTANCE; DAILY CANOPY PHOTOSYNTHESIS;
ATMOSPHERIC CARBON-DIOXIDE; BIOCHEMICALLY BASED MODEL; GLOBAL VEGETATION
MODELS; WATER-USE EFFICIENCY; SCOTS PINE FOREST
AB Accurate representation of photosynthesis in terrestrial biosphere models (TBMs) is essential for robust projections of global change. However, current representations vary markedly between TBMs, contributing uncertainty to projections of global carbon fluxes. Here we compared the representation of photosynthesis in seven TBMs by examining leaf and canopy level responses of photosynthetic CO2 assimilation (A) to key environmental variables: light, temperature, CO2 concentration, vapor pressure deficit and soil water content. We identified research areas where limited process knowledge prevents inclusion of physiological phenomena in current TBMs and research areas where data are urgently needed for model parameterization or evaluation. We provide a roadmap for new science needed to improve the representation of photosynthesis in the next generation of terrestrial biosphere and Earth system models.
C1 [Rogers, Alistair; Serbin, Shawn P.] Brookhaven Natl Lab, Environm & Climate Sci Dept, Upton, NY 11973 USA.
[Medlyn, Belinda E.] Univ Western Sydney, Hawkesbury Inst Environm, Locked Bag 1797, Penrith, NSW 2751, Australia.
[Dukes, Jeffrey S.] Purdue Univ, Dept Forestry & Nat Resources, W Lafayette, IN 47907 USA.
[Dukes, Jeffrey S.] Purdue Univ, Dept Biol Sci, W Lafayette, IN 47907 USA.
[Bonan, Gordon] Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA.
[von Caemmerer, Susanne] Australian Natl Univ, Res Sch Biol, Coll Med Biol & Environm, Linnaeus Bldg,Bldg 134,Linnaeus Way, Canberra, ACT 0200, Australia.
[Dietze, Michael C.] Boston Univ, Dept Earth & Environm, Boston, MA 02215 USA.
[Kattge, Jens] Max Planck Inst Biogeochem, D-07701 Jena, Germany.
[Kattge, Jens] German Ctr Integrat Biodivers Res iDiv, Deutsch Pl 5e, D-04103 Leipzig, Germany.
[Leakey, Andrew D. B.] Univ Illinois, Dept Plant Biol, Urbana, IL 61801 USA.
[Leakey, Andrew D. B.] Univ Illinois, Inst Genom Biol, Urbana, IL 61801 USA.
[Mercado, Lina M.; Sitch, Stephen] Univ Exeter, Coll Life & Environm Sci, Dept Geog, Exeter EX4 4SB, Devon, England.
[Mercado, Lina M.] Ctr Ecol & Hydrol, Wallingford OX10 8BB, Oxon, England.
[Niinemets, Ulo] Estonian Univ Life Sci, Dept Plant Physiol, Kreutzwaldi 1, EE-51014 Tartu, Estonia.
[Prentice, I. Colin] Imperial Coll London, AXA Chair Biosphere & Climate Impacts Grand Chall, Silwood Pk Campus,Buckhurst Rd, Ascot SL5 7PY, Berks, England.
[Prentice, I. Colin] Imperial Coll London, Grantham Inst Climate Change, Dept Life Sci, Silwood Pk Campus,Buckhurst Rd, Ascot SL5 7PY, Berks, England.
[Prentice, I. Colin] Macquarie Univ, Dept Biol Sci, N Ryde, NSW 2109, Australia.
[Prentice, I. Colin] Northwest Agr & Forestry Univ, State Key Lab Soil Eros & Dryland Farming Loess P, Coll Forestry, Yangling 712100, Peoples R China.
[Way, Danielle A.] Univ Western Ontario, Dept Biol, London, ON N6A 5B7, Canada.
[Way, Danielle A.] Duke Univ, Nicholas Sch Environm, Durham, NC 27708 USA.
[Zaehle, Sonke] Max Planck Inst Biogeochem, Biogeochem Integrat Dept, Hans Knoll Str 10, D-07745 Jena, Germany.
RP Rogers, A (reprint author), Brookhaven Natl Lab, Environm & Climate Sci Dept, Upton, NY 11973 USA.
EM arogers@bnl.gov
RI Serbin, Shawn/B-6392-2009; Rogers, Alistair/E-1177-2011; Zaehle,
Sonke/C-9528-2017
OI Serbin, Shawn/0000-0003-4136-8971; Rogers, Alistair/0000-0001-9262-7430;
Zaehle, Sonke/0000-0001-5602-7956
NR 200
TC 0
Z9 0
U1 28
U2 28
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0028-646X
EI 1469-8137
J9 NEW PHYTOL
JI New Phytol.
PD JAN
PY 2017
VL 213
IS 1
BP 22
EP 42
PG 21
WC Plant Sciences
SC Plant Sciences
GA ED9IY
UT WOS:000389184600006
PM 27891647
ER
PT J
AU Grabowski, PP
Evans, J
Daum, C
Deshpande, S
Barry, KW
Kennedy, M
Ramstein, G
Kaeppler, SM
Buell, CR
Jiang, YW
Casler, MD
AF Grabowski, Paul P.
Evans, Joseph
Daum, Chris
Deshpande, Shweta
Barry, Kerrie W.
Kennedy, Megan
Ramstein, Guillaume
Kaeppler, Shawn M.
Buell, C. Robin
Jiang, Yiwei
Casler, Michael D.
TI Genome-wide associations with flowering time in switchgrass using
exome-capture sequencing data
SO NEW PHYTOLOGIST
LA English
DT Article
DE bioenergy; exome-capture; flowering time; genome-wide association
studies (GWAS); Panicum virgatum (switchgrass)
ID QUANTITATIVE TRAIT LOCUS; PANICUM VIRGATUM; DIVERGENT SELECTION; BIOMASS
PRODUCTION; CIRCADIAN CLOCK; HEADING DATE; MAIZE; PHOTOPERIOD;
ADAPTATION; ARABIDOPSIS
AB Flowering time is a major determinant of biomass yield in switchgrass (Panicum virgatum), a perennial bioenergy crop, because later flowering allows for an extended period of vegetative growth and increased biomass production. A better understanding of the genetic regulation of flowering time in switchgrass will aid the development of switchgrass varieties with increased biomass yields, particularly at northern latitudes, where late-flowering but southern- adapted varieties have high winter mortality.
We use genotypes derived from recently published exome-capture sequencing, which mitigates challenges related to the large, highly repetitive and polyploid switchgrass genome, to perform genome-wide association studies (GWAS) using flowering time data from a switchgrass association panel in an effort to characterize the genetic architecture and genes underlying flowering time regulation in switchgrass.
We identify associations with flowering time at multiple loci, including in a homolog of FLOWERING LOCUS T and in a locus containing TIMELESS, a homolog of a key circadian regulator in animals.
Our results suggest that flowering time variation in switchgrass is due to variation at many positions across the genome. The relationship of flowering time and geographic origin indicates likely roles for genes in the photoperiod and autonomous pathways in generating switchgrass flowering time variation.
C1 [Grabowski, Paul P.; Casler, Michael D.] ARS, US Dairy Forage Res Ctr, USDA, 1925 Linden Dr W, Madison, WI 53706 USA.
[Evans, Joseph] DuPont Pioneer, Johnston, IA 50131 USA.
[Evans, Joseph; Buell, C. Robin] Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA.
[Evans, Joseph; Buell, C. Robin] Michigan State Univ, DOE Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA.
[Daum, Chris; Deshpande, Shweta; Barry, Kerrie W.; Kennedy, Megan] DOE Joint Genome Inst, Walnut Creek, CA 94598 USA.
[Ramstein, Guillaume; Kaeppler, Shawn M.] Univ Wisconsin, Dept Agron, 1575 Linden Dr, Madison, WI 53706 USA.
[Kaeppler, Shawn M.] Univ Wisconsin Madison, DOE Great Lakes Bioenergy Res Ctr, 1552 Univ Ave, Madison, WI 53726 USA.
[Jiang, Yiwei] Purdue Univ, Dept Agron, 915 West State St, W Lafayette, IN 47907 USA.
RP Grabowski, PP (reprint author), ARS, US Dairy Forage Res Ctr, USDA, 1925 Linden Dr W, Madison, WI 53706 USA.
EM grabowsp@gmail.com
OI Grabowski, Paul/0000-0002-4372-0847
FU US Department of Energy (DOE) Great Lakes Bioenergy Research Center (DOE
BER Office of Science) [DE-FC02-07ER64494]; US DOE [DE-SC0010631,
DE-SC0008180]; Office of Science of the US DOE [DE-AC02-05CH11231]
FX This research was supported by the US Department of Energy (DOE) Great
Lakes Bioenergy Research Center (DOE BER Office of Science
DE-FC02-07ER64494) and the US DOE, grant nos. DE-SC0010631 and
DE-SC0008180. We thank the US DOE Joint Genome Institute for
pre-publication access to the v.1.1 Panicum virgatum genome. The work
conducted by the US DOE Joint Genome Institute was supported by the
Office of Science of the US DOE under contract no. DE-AC02-05CH11231.
[Correction added after online publication 22 July 2016: grant
information for the DOE BER Office of Science was updated.]
NR 70
TC 0
Z9 0
U1 24
U2 24
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0028-646X
EI 1469-8137
J9 NEW PHYTOL
JI New Phytol.
PD JAN
PY 2017
VL 213
IS 1
BP 154
EP 169
DI 10.1111/nph.14101
PG 16
WC Plant Sciences
SC Plant Sciences
GA ED9IY
UT WOS:000389184600018
PM 27443672
ER
PT J
AU Fochi, V
Chitarra, W
Kohler, A
Voyron, S
Singan, VR
Lindquist, EA
Barry, KW
Girlanda, M
Grigoriev, IV
Martin, F
Balestrini, R
Perotto, S
AF Fochi, Valeria
Chitarra, Walter
Kohler, Annegret
Voyron, Samuele
Singan, Vasanth R.
Lindquist, Erika A.
Barry, Kerrie W.
Girlanda, Mariangela
Grigoriev, Igor V.
Martin, Francis
Balestrini, Raffaella
Perotto, Silvia
TI Fungal and plant gene expression in the Tulasnella calospora-Serapias
vomeracea symbiosis provides clues about nitrogen pathways in orchid
mycorrhizas
SO NEW PHYTOLOGIST
LA English
DT Article
DE ammonium transporters; gene expression; nitrogen (N); orchid mycorrhiza;
Serapias; transcriptomics; Tulasnella
ID AFFINITY AMMONIUM TRANSPORTER; AMINO-ACID TRANSPORTER;
HEBELOMA-CYLINDROSPORUM; GLOMUS-INTRARADICES; EXTRARADICAL MYCELIUM;
GOODYERA-REPENS; SACCHAROMYCES-CEREVISIAE; ARBUSCULAR MYCORRHIZA;
NITRATE TRANSPORTER; PAXILLUS-INVOLUTUS
AB Orchids are highly dependent on their mycorrhizal fungal partners for nutrient supply, especially during early developmental stages. In addition to organic carbon, nitrogen (N) is probably a major nutrient transferred to the plant because orchid tissues are highly N-enriched. We know almost nothing about the N form preferentially transferred to the plant or about the key molecular determinants required for N uptake and transfer.
We identified, in the genome of the orchid mycorrhizal fungus Tulasnella calospora, two functional ammonium transporters and several amino acid transporters but found no evidence of a nitrate assimilation system, in agreement with the N preference of the free-living mycelium grown on different N sources.
Differential expression in symbiosis of a repertoire of fungal and plant genes involved in the transport and metabolism of N compounds suggested that organic N may be the main form transferred to the orchid host and that ammonium is taken up by the intracellular fungus from the apoplatic symbiotic interface.
This is the first study addressing the genetic determinants of N uptake and transport in orchid mycorrhizas, and provides a model for nutrient exchanges at the symbiotic interface, which may guide future experiments.
C1 [Fochi, Valeria; Voyron, Samuele; Girlanda, Mariangela; Perotto, Silvia] Univ Turin, Dept Life Sci & Syst Biol, I-10125 Turin, Italy.
[Fochi, Valeria; Chitarra, Walter; Girlanda, Mariangela; Balestrini, Raffaella; Perotto, Silvia] Inst Sustainable Plant Protect IPSP CNR, I-10125 Turin, Italy.
[Kohler, Annegret; Martin, Francis] INRA Nancy, Lab Excellence ARBRE, F-54280 Champenoux, France.
[Kohler, Annegret; Martin, Francis] Lorraine Univ, Unite Mixte Rech 1136, F-54280 Champenoux, France.
[Singan, Vasanth R.; Lindquist, Erika A.; Barry, Kerrie W.; Grigoriev, Igor V.] US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA.
RP Perotto, S (reprint author), Univ Turin, Dept Life Sci & Syst Biol, I-10125 Turin, Italy.; Balestrini, R; Perotto, S (reprint author), Inst Sustainable Plant Protect IPSP CNR, I-10125 Turin, Italy.
EM raffaella.balestrini@ipsp.cnr.it; silvia.perotto@unito.it
OI CHITARRA, WALTER/0000-0002-5382-3794
FU MIUR; University of Turin; 'Compagnia di San Paolo' (Torino, Italy); US
Department of Energy (DOE) Joint Genome Institute [DE AC02 05CH11231,
978]; Laboratory of Excellence Advanced Research on the Biology of Tree
and Forest Ecosystems (ARBRE) [ANR 11 LABX 0002 01]; US DOE through the
Oak Ridge National Laboratory Scientific Focus Area for Genomics
Foundational Sciences (Plant Microbe Interfaces Project)
FX We thank Nuria Ferrol (CSIC) for kindly providing the S. cerevisiae
isolates for functional complementation, Enrico Ercole, Stefania
Daghino, Antonella Faccio and Alessandro Lopa for technical help and
Roland Marmeisse for critical reading of the manuscript. We also thank
the anonymous reviewers for their valuable comments. V.F. was supported
by a PhD fellowship from MIUR. The research was partly supported by
local funding from the University of Turin (2014-2015) and was performed
in the frame of the IPSP research line 'Biodiversita in sistemi agrari e
forestali: basi genetiche, epigenetiche e molecolari' (AG.AP04.025). The
LMD system up-grade was possible thanks to the financial support of the
'Compagnia di San Paolo' (Torino, Italy). RNA sequencing has been
carried out at the US Department of Energy (DOE) Joint Genome Institute
(contract no. DE AC02 05CH11231) within the framework of the Community
Sequencing Project #978 'The Mycorrhizal Genomics Initiative: Exploring
the Symbiotic Transcriptomes' (to F.M.). Research in the laboratory of
F.M. is funded by the Laboratory of Excellence Advanced Research on the
Biology of Tree and Forest Ecosystems (ARBRE; grant ANR 11 LABX 0002 01)
and the US DOE through the Oak Ridge National Laboratory Scientific
Focus Area for Genomics Foundational Sciences (Plant Microbe Interfaces
Project). [Correction added after online publication 11 November 2016:
in the preceding text additional acknowledgements have been inserted.]
NR 84
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U2 25
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0028-646X
EI 1469-8137
J9 NEW PHYTOL
JI New Phytol.
PD JAN
PY 2017
VL 213
IS 1
BP 365
EP 379
DI 10.1111/nph.14279
PG 15
WC Plant Sciences
SC Plant Sciences
GA ED9IY
UT WOS:000389184600034
PM 27859287
ER
PT J
AU Hellfeld, D
Bernstein, A
Dazeley, S
Marianno, C
AF Hellfeld, D.
Bernstein, A.
Dazeley, S.
Marianno, C.
TI Reconstructing the direction of reactor antineutrinos via electron
scattering in Gd-doped water Cherenkov detectors
SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS
SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT
LA English
DT Article
DE Reactor antineutrinos; Water Cherenkov detector; Electron scattering;
Directionality
AB The potential of elastic antineutrino-electron scattering in a Gd-doped water Cherenkov detector to determine the direction of a nuclear reactor antineutrino flux was investigated using the recently proposed WATCHMAN antineutrino experiment as a baseline model. The expected scattering rate was determined assuming a 13-km standoff from a 3.758-GWt light water nuclear reactor and the detector response was modeled using a Geant4-based simulation package. Background was estimated via independent simulations and by scaling published measurements from similar detectors. Background contributions were estimated for solar neutrinos, misidentified reactor-based inverse beta decay interactions, cosmogenic radionuclides, water-borne radon, and gamma rays from the photomultiplier tubes (PMTs), detector walls, and surrounding rock. We show that with the use of low background PMTs and sufficient fiducialization, water-borne radon and cosmogenic radionuclides pose the largest threats to sensitivity. Directional sensitivity was then analyzed as a function of radon contamination, detector depth, and detector size. The results provide a list of experimental conditions that, if satisfied in practice, would enable antineutrino directional reconstruction at 3 sigma significance in large Gd-doped water Cherenkov detectors with greater than 10-km standoff from a nuclear reactor.
C1 [Hellfeld, D.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA.
[Bernstein, A.; Dazeley, S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Marianno, C.] Texas A&M Univ, Dept Nucl Engn, College Stn, TX 77843 USA.
RP Hellfeld, D (reprint author), Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA.
EM dhellfeld@berkeley.edu; dazeley2@llnl.gov
FU U.S. Department of Energy National Nuclear Security Administration
through the Nuclear Science and Security Consortium [DE-NA0000979];
Lawrence Livermore National Laboratory [DE-AC52-07NA27344, 15-ERD-021,
LLNL-JRNL-679610]
FX The authors would like to thank Marc Bergevin of Lawrence Livermore
National Laboratory for his help with the development and usage of RMSim
for the purposes of this work and Michael Smy of the University of
California, Irvine for his assistance with BONSAI. This work was
supported by the U.S. Department of Energy National Nuclear Security
Administration (Award no. DE-NA0000979) through the Nuclear Science and
Security Consortium, and Lawrence Livermore National Laboratory
[Contract no. DE-AC52-07NA27344, LDRD tracking number 15-ERD-021,
release number LLNL-JRNL-679610]. The views and opinions of authors
expressed herein do not necessarily state or reflect those of the United
States Government or any agency thereof.
NR 27
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PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0168-9002
EI 1872-9576
J9 NUCL INSTRUM METH A
JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc.
Equip.
PD JAN 1
PY 2017
VL 841
BP 130
EP 138
DI 10.1016/j.nima.2016.10.027
PG 9
WC Instruments & Instrumentation; Nuclear Science & Technology; Physics,
Nuclear; Physics, Particles & Fields
SC Instruments & Instrumentation; Nuclear Science & Technology; Physics
GA EE2DQ
UT WOS:000389394300018
ER
PT J
AU Mesick, KE
Coupland, DDS
Stonehill, LC
AF Mesick, K. E.
Coupland, D. D. S.
Stonehill, L. C.
TI Pulse-shape discrimination and energy quenching of alpha particles in
Cs2LiLaBr6:Ce3+
SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS
SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT
LA English
DT Article
DE Elpasolite; Scintillators; Pulse shape discrimination; Alpha background;
Actinium contamination; Alpha quenching
ID SCINTILLATION DETECTORS; CHARGED-PARTICLES; CRYSTALS; IONS
AB Cs2LiLaBr6:Ce3+(CLLB) is an elpasolite scintillator that offers excellent linearity and gamma-ray energy resolution and sensitivity to thermal neutrons with the ability to perform pulse-shape discrimination (PSD) to distinguish gammas and neutrons. Our investigation of CLLB has indicated the presence of intrinsic radioactive alpha background that we have determined to be from actinium contamination of the lanthanum component. We measured the pulse shapes for gamma, thermal neutron, and alpha events and determined that PSD can be performed to separate the alpha background with a moderate figure of merit of 0.98. We also measured the electron-equivalent-energy of the alpha particles in CLLB and simulated the intrinsic alpha background from (227)AC to determine the quenching factor of the alphas. A linear quenching relationship L-a = E-a x q + L-0 was found at alpha particle energies above 5 MeV, with a quenching factor q = 0.71 MeVee/MeV and an offset L-0 = -1.19 MeVee.
C1 [Mesick, K. E.; Coupland, D. D. S.; Stonehill, L. C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Mesick, KE (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM kmesick@lanl.gov
FU Los Alamos National Laboratory Nuclear Nonproliferation and Security
Program Office
FX These measurements were supported by the Los Alamos National Laboratory
Nuclear Nonproliferation and Security Program Office.
NR 22
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PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0168-9002
EI 1872-9576
J9 NUCL INSTRUM METH A
JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc.
Equip.
PD JAN 1
PY 2017
VL 841
BP 139
EP 143
DI 10.1016/j.nima.2016.10.033
PG 5
WC Instruments & Instrumentation; Nuclear Science & Technology; Physics,
Nuclear; Physics, Particles & Fields
SC Instruments & Instrumentation; Nuclear Science & Technology; Physics
GA EE2DQ
UT WOS:000389394300019
ER
PT J
AU Simos, N
Fernandes, S
Mittig, W
Pellemoine, F
Avilov, M
Kostin, M
Mausner, L
Ronningen, R
Schein, M
Bollen, G
AF Simos, Nikolaos
Fernandes, S.
Mittig, Wolfgang
Pellemoine, Frederique
Avilov, M.
Kostin, M.
Mausner, L.
Ronningen, R.
Schein, M.
Bollen, G.
TI Performance degradation of ferrofluidic feedthroughs in a mixed
irradiation field
SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS
SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT
LA English
DT Article
DE Neutron irradiation; De-magnetization; Radiation damage; Ferrofluidic
feedthrough; Performance; Static torque; Rotational torque; Leak rate
ID BEHAVIOR; TARGET
AB Ferrofluidic feedthrough (FF) rotary seals containing either NdFeB or SmCo-type permanent magnets have been considered for use in the target and beam dump systems of the Facility for Rare Isotope Beams (FRIB). To evaluate their performance under irradiation three FF seals were irradiated in a mixed field consisting of fast neutrons, protons and gamma-rays to an average absorbed dose of 0.2, 2.0, and 20.0 MGy at the Brookhaven Linac Isotope Producer facility (BLIP). The radiation types and energy profiles mimic those expected at the FRIB facility. Degradation of the operational performance of these devices due to irradiation is expected to be the result of the de-magnetization of the permanent magnets contained within the seal and the changes in the ferrofluid properties. Post-irradiation performance was evaluated by determining the ferrofluidic seal vacuum tightness and torque under static and dynamic conditions. The study revealed that the ferrofluidic feedthrough seal irradiated to a dose of 0.2 MGy maintained its vacuum tightness under both static and rotational condition while the one irradiated to a dose of 2.0 MGy exhibited signs of ferrofluid damage but no overall performance loss. At 20 MGy dose the effects of irradiation on the ferrofluid properties (viscosity and particle agglomeration) were shown to be severe. Furthermore, limited de-magnetization of the annular shaped Nd2Fe14B and Sm2Co17 magnets located within the irradiated FFs was observed for doses of 0.2 MGy and 20 MGy respectively.
C1 [Simos, Nikolaos; Mausner, L.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Fernandes, S.; Mittig, Wolfgang; Pellemoine, Frederique; Avilov, M.; Kostin, M.; Ronningen, R.; Schein, M.; Bollen, G.] Michigan State Univ, FRIB, E Lansing, MI 48824 USA.
[Mittig, Wolfgang] Michigan State Univ, NSCL, 640 South Shaw Lane, E Lansing, MI 48824 USA.
RP Simos, N (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM simos@bnl.gov
FU U.S. Department of Energy Office of Science [DE-SC0000661]; State of
Michigan; Michigan State University
FX This material is based upon work supported by U.S. Department of Energy
Office of Science under Cooperative Agreement DE-SC0000661, the State of
Michigan and Michigan State University.
NR 27
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PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0168-9002
EI 1872-9576
J9 NUCL INSTRUM METH A
JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc.
Equip.
PD JAN 1
PY 2017
VL 841
BP 144
EP 155
DI 10.1016/j.nima.2016.10.007
PG 12
WC Instruments & Instrumentation; Nuclear Science & Technology; Physics,
Nuclear; Physics, Particles & Fields
SC Instruments & Instrumentation; Nuclear Science & Technology; Physics
GA EE2DQ
UT WOS:000389394300020
ER
PT J
AU Smolyakov, AI
Chapurin, O
Frias, W
Koshkarov, O
Romadanov, I
Tang, T
Umansky, M
Raitses, Y
Kaganovich, ID
Lakhin, VP
AF Smolyakov, A. I.
Chapurin, O.
Frias, W.
Koshkarov, O.
Romadanov, I.
Tang, T.
Umansky, M.
Raitses, Y.
Kaganovich, I. D.
Lakhin, V. P.
TI Fluid theory and simulations of instabilities, turbulent transport and
coherent structures in partially-magnetized plasmas of E x B discharges
SO PLASMA PHYSICS AND CONTROLLED FUSION
LA English
DT Article
DE E x B discharges; instabilties; turbulence; anomalous transport; Hall
thrusters electric propulsion; magnetrons
ID HYBRID-DRIFT INSTABILITY; SIMON-HOH INSTABILITY; BEAM-CYCLOTRON
INSTABILITY; LOW-FREQUENCY OSCILLATIONS; SHEARED ELECTRIC-FIELD; HALL
THRUSTERS; DRIVEN; WAVES; EQUATIONS
AB Partially-magnetized plasmas with magnetized electrons and non-magnetized ions are common in Hall thrusters for electric propulsion and magnetron material processing devices. These plasmas are usually in strongly non-equilibrium state due to presence of crossed electric and magnetic fields, inhomogeneities of plasma density, temperature, magnetic field and beams of accelerated ions. Free energy from these sources make such plasmas prone to various instabilities resulting in turbulence, anomalous transport, and appearance of coherent structures as found in experiments. This paper provides an overview of instabilities that exist in such plasmas. A nonlinear fluid model has been developed for description of the Simon-Hoh, lower-hybrid and ion-sound instabilities. The model also incorporates electron gyroviscosity describing the effects of finite electron temperature. The nonlinear fluid model has been implemented in the BOUT++ framework. The results of nonlinear simulations are presented demonstrating turbulence, anomalous current and tendency toward the formation of coherent structures.
C1 [Smolyakov, A. I.; Chapurin, O.; Frias, W.; Koshkarov, O.; Romadanov, I.] Univ Saskatchewan, Dept Phys & Engn Phys, 116 Sci Pl, Saskatoon, SK S7N 5E2, Canada.
[Umansky, M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Raitses, Y.; Kaganovich, I. D.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
[Smolyakov, A. I.; Lakhin, V. P.] NRC Kurchatov Inst, 1 Kurchatov Sqr, Moscow 123182, Russia.
RP Smolyakov, AI (reprint author), Univ Saskatchewan, Dept Phys & Engn Phys, 116 Sci Pl, Saskatoon, SK S7N 5E2, Canada.; Smolyakov, AI (reprint author), NRC Kurchatov Inst, 1 Kurchatov Sqr, Moscow 123182, Russia.
EM andrei.smolyakov@usask.ca
FU NSERC Canada; US Air Force Office of Scientific Research
[FA9550-15-1-0226]; Russian Foundation for Basic Research [16-02-00640]
FX This work is supported in part by NSERC Canada, US Air Force Office of
Scientific Research FA9550-15-1-0226 and Russian Foundation for Basic
Research (Grant No. 16-02-00640). The authors acknowledge useful
discussions with I Khalzov, V I IIgisonis, E Sorokina, and M Cappelli.
NR 95
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PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0741-3335
EI 1361-6587
J9 PLASMA PHYS CONTR F
JI Plasma Phys. Control. Fusion
PD JAN
PY 2017
VL 59
IS 1
AR 014041
DI 10.1088/0741-3335/59/1/014041
PG 13
WC Physics, Fluids & Plasmas
SC Physics
GA EF3QG
UT WOS:000390238700001
ER
PT J
AU Joseph, C
Mibus, J
Trepte, P
Muller, C
Brendler, V
Park, DM
Jiao, YQ
Kersting, AB
Zavarin, M
AF Joseph, Claudia
Mibus, Jens
Trepte, Paul
Muller, Christa
Brendler, Vinzenz
Park, Dan M.
Jiao, Yongqin
Kersting, Annie B.
Zavarin, Mavrik
TI Long-term diffusion of U(VI) in bentonite: Dependence on density
SO SCIENCE OF THE TOTAL ENVIRONMENT
LA English
DT Article
DE Nuclear waste repository; MX-80; Clay; Uranium; Speciation; Extended
Archie's law
ID OPALINUS CLAY; HUMIC-ACID; TRACER DIFFUSION; COMPACTED BENTONITES;
ARGILLACEOUS ROCKS; DRY DENSITY; SORPTION; COEFFICIENTS; URANIUM;
MONTMORILLONITE
AB As a contribution to the safety assessment of nuclear waste repositories, U(VI) diffusion through the potential buffer material MX-80 bentonite was investigated at three clay dry densities over six years. Synthetic MX-80 model pore water was used as background electrolyte. Speciation calculations showed that Ca2UO2(CO3)(3)(aq) was the main U(VI) species. The in-and out-diffusion of U(VI) was investigated separately. U(VI) diffused about 3 mm, 1.5 mm, and 1 mm into the clay plug at rho = 1.3, 1.6, and 1.9 g/cm(3), respectively. No through-diffusion of the U(VI) tracer was observed. However, leaching of natural uranium contained in the clay occurred and uranium was detected in all receiving reservoirs. As expected, the effective and apparent diffusion coefficients, De and D-a, decreased with increasing dry density. The D-a values for the out-diffusion of natural U(VI) were in good agreement with previously determined values. Surprisingly, D-a values for the in-diffusion of U(VI) were about two orders of magnitude lower than values obtained in short-term in-diffusion experiments reported in the literature. Some potential reasons for this behavior that were evaluated are changes of the U(VI) speciation within the clay (precipitation, reduction) or changes of the clay porosity and pore connectivity with time. By applying Archie's law and the extended Archie's law, it was estimated that a significantly smaller effective porosity must be present for the long-term in-diffusion of U(VI). The results suggest that long-term studies of key transport phenomena may reveal additional processes that can directly impact long-term repository safety assessments. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Joseph, Claudia; Kersting, Annie B.; Zavarin, Mavrik] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Glenn T Seaborg Inst, L-231,POB 808, Livermore, CA 94550 USA.
[Mibus, Jens; Trepte, Paul; Muller, Christa; Brendler, Vinzenz] Helmholtz Zentrum Dresden Rossendorf eV, Inst Resource Ecol, POB 510119, D-01314 Dresden, Germany.
[Park, Dan M.; Jiao, Yongqin] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Biosci & Biotechnol Div, L-231,POB 808, Livermore, CA 94550 USA.
[Mibus, Jens] Nagra, Hardstr 73, CH-5430 Wettingen, Switzerland.
[Trepte, Paul] LSI Sachsen GmbH & Co KG, BioInnovat Zentrum Dresden, Tatzberg 47, D-01307 Dresden, Germany.
RP Joseph, C (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Glenn T Seaborg Inst, L-231,POB 808, Livermore, CA 94550 USA.
EM joseph20@llnl.gov
FU Used Fuel Disposition Campaign of the Department of Energy's Nuclear
Energy Program [AF5865010]; U.S. Department of Energy's Office of
Biological AMP; Environmental Research, Subsurface Biogeochemistry
Research Program [SCW1053]; European Commission [C2-ST-C-01];
[DE-AC52-07NA27344]
FX The manuscript was prepared by LLNL under Contract DE-AC52-07NA27344.
This work was supported by the Used Fuel Disposition Campaign of the
Department of Energy's Nuclear Energy Program (AF5865010) and the U.S.
Department of Energy's Office of Biological & Environmental Research,
Subsurface Biogeochemistry Research Program (SCW1053).r The
Helmholtz-Zentrum Dresden-Rossendorf thanks the European Commission
(Project NF-PRO under contract C2-ST-C-01) for funding the experiment.
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PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0048-9697
EI 1879-1026
J9 SCI TOTAL ENVIRON
JI Sci. Total Environ.
PD JAN 1
PY 2017
VL 575
BP 207
EP 218
DI 10.1016/j.scitotenv.2016.10.005
PG 12
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA EF5MD
UT WOS:000390373400023
PM 27741456
ER
PT J
AU Vulava, VM
Vaughn, DS
Mckay, LD
Driese, SG
Cooper, LW
Menn, FM
Levine, NS
Sayler, GS
AF Vulava, Vijay M.
Vaughn, D. Syreeta
Mckay, Larry D.
Driese, Steven G.
Cooper, Lee W.
Menn, Fu-Min
Levine, Norman S.
Sayler, Gary S.
TI Flood-induced transport of PAHs from streambed coal tar deposits
SO SCIENCE OF THE TOTAL ENVIRONMENT
LA English
DT Article
DE Coal tar; Polycyclic aromatic hydrocarbons (PAHs); Streambed sediment;
Floodplain sediment; Contaminant transport
ID POLYCYCLIC AROMATIC-HYDROCARBONS; SEDIMENT DEPOSITION; HARBOR SEDIMENTS;
BLACK CARBON; RIVER; CONTAMINANTS; WATER; SOILS; GEOCHEMISTRY; PATTERNS
AB We assessed whether coal tar present in contaminated streambed sediments can be mobilized by flood events and be re-deposited in an adjacent floodplain. The study was conducted within a contaminated urban stream where coal tar wastes were released into a 4-km reach from a coke plant in Chattanooga, Tennessee, USA. Sediments containing visible amounts of coal tar were dredged from the streambed in 1997-98 and 2007 as part of a cleanup effort. However, post-dredging sampling indicated that very high concentrations of polycyclic aromatic hydrocarbons (PAHs) remained in streambed sediments. Sampling of sediments in the floodplain at two sites downstream of the coke plant indicated that high concentrations of PAHs were also present in the floodplain, even though no coal tar was observed in the samples. Age-dating of the floodplain sediments using Cs-137 indicated that peak PAH concentrations were contemporary with coke plant operations. While there was little or any direct contamination of the floodplain sediments by coal tar, sediment contamination was likely a result of deposition of suspended streambed sediments containing sorbed PAHs. A flood model developed to delineate the extent of flooding in various flood recurrence scenarios confirmed the potential for contaminated streambed sediments to be transported into the adjacent floodplain. It was hypothesized that coal tar, which was visibly "sticky" during dredging-based stream cleanup, may act as a binding agent for streambed sediments, decreasing mobility and transport in the stream. Therefore, coal tar is likely to remain a persistent contaminant source for downstream reaches of the stream and the adjacent floodplain during flood events. This study also showed that even after excavation of tar-rich streambed sediments, PAH contaminated non-tarry sediments may be a source of flood-related contamination in the adjacent flood plain. A conceptual framework was developed to delineate specific mechanisms that can mobilize contamination from stream sources. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Vulava, Vijay M.; Levine, Norman S.] Coll Charleston, Dept Geol & Environm Geosci, 66 George St, Charleston, SC 29424 USA.
[Vaughn, D. Syreeta] US DOE, Y-12 Natl Secur Complex, Oak Ridge, TN 37831 USA.
[Mckay, Larry D.] Univ Tennessee, Dept Earth & Planetary Sci, Knoxville, TN 37996 USA.
[Mckay, Larry D.; Menn, Fu-Min; Sayler, Gary S.] Univ Tennessee, Ctr Environm Biotechnol, Knoxville, TN 37996 USA.
[Driese, Steven G.] Baylor Univ, Dept Geosci, One Bear Pl 97354, Waco, TX 76798 USA.
[Cooper, Lee W.] Univ Maryland, Chesapeake Biol Lab, Ctr Environm Sci, Solomons, MD 20688 USA.
RP Vulava, VM (reprint author), Coll Charleston, Dept Geol & Environm Geosci, 66 George St, Charleston, SC 29424 USA.
EM VulavaV@cofc.edu
RI Cooper, Lee/E-5251-2012
OI Cooper, Lee/0000-0001-7734-8388
FU University of Tennessee Center for Environmental Biotechnology;
University of Tennessee Institute for a Secure and Sustainable
Environment
FX We thank the Chattanooga Creek community including Alton Parrk/Piney
Woods residents and Crabtree Farms of Chattanooga for graciously
facilitating access to the study sites. Funding for this study was
provided by the University of Tennessee Center for Environmental
Biotechnology and the University of Tennessee Institute for a Secure and
Sustainable Environment. We thank James Easter of the University of
Tennessee and the Tennessee Department of Environment and Conservation
for their technical support during this study. The authors also wish to
thank the anonymous reviewers for their thoughtful comments.
NR 71
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PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0048-9697
EI 1879-1026
J9 SCI TOTAL ENVIRON
JI Sci. Total Environ.
PD JAN 1
PY 2017
VL 575
BP 247
EP 257
DI 10.1016/j.scitotenv.2016.09.222
PG 11
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA EF5MD
UT WOS:000390373400026
PM 27744153
ER
PT J
AU Koralegedara, NH
Al-Abed, SR
Rodrigo, SK
Karna, RR
Scheckel, KG
Dionysiou, DD
AF Koralegedara, Nadeesha H.
Al-Abed, Souhail R.
Rodrigo, Sanjeewa K.
Karna, Ranju R.
Scheckel, Kirk G.
Dionysiou, Dionysios D.
TI Alterations of lead speciation by sulfate from addition of flue gas
desulfurization gypsum (FGDG) in two contaminated soils
SO SCIENCE OF THE TOTAL ENVIRONMENT
LA English
DT Article
DE Flue gas desulfurization gypsum; Leaching test; Ferrihydrite bound Pb;
Humic acid bound Pb leadhillite; Anglesite
ID HUMIC SUBSTANCES; FLY-ASH; AQUEOUS-SOLUTIONS; METAL-IONS; PB;
AVAILABILITY; FERRIHYDRITE; PHOSPHATE; IMMOBILIZATION; COPPER(II)
AB This is the first study to evaluate the potential application of FGDG as an in situ Pb stabilizer in contaminated soils with two different compositions and to explain the underlying mechanisms. A smelter Pb contaminated soil (SM-soil), rich in ferrihydrite bound Pb (FH-Pb), cerussite and litharge with a total Pb content of 65,123 mg/kg and an organic matter rich orchard soil (BO-soil), rich in FH-Pb and humic acid bound Pb with a total Pb content of 1532 mg/kg were amended with 5% FGDG (w/w). We subjected the two soils to three leaching tests; toxicity characteristic leaching protocol (TCLP), synthetic precipitation leaching protocol (SPLP), kinetic batch leaching test (KBLT) and in-vitro bioaccessibility assay (IVBA) in order to evaluate the FGDG amendment on Pb stabilization. Solid residues of original and FGDG amended soil were analyzed using X-ray absorption spectroscopy (XAS) to identify changes in Pb speciation after each leaching test. The leachate Pb concentrations of FGDG amended soil were lower compared to those of in non-amended soil. The linear combination fitting analysis of XAS confirmed the formation of anglesite and leadhillite in FGDG amended soil. FGDG reduced the Pb desorption from ferrihydrite (FH), by forming FH-Pb-SO4 ternary complexes. FGDG decreased the Pb adsorption onto humic acid (HA) possibly due to the release of divalent cations such as Ca and Mg, which can compete with Pb to get adsorbed onto HA. The FGDG can successfully be used to remediate Pb contaminated soil. The efficiency of the treatment highly depends on the soil composition. Published by Elsevier B.V.
C1 [Koralegedara, Nadeesha H.; Rodrigo, Sanjeewa K.] Pegasus Tech Serv Inc, 46 E Hollister St, Cincinnati, OH 45219 USA.
[Al-Abed, Souhail R.; Scheckel, Kirk G.] US EPA, Natl Risk Management Res Lab, 26 W Martin Luther King Dr, Cincinnati, OH 45268 USA.
[Karna, Ranju R.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Koralegedara, Nadeesha H.; Dionysiou, Dionysios D.] Univ Cincinnati, Engn Res Ctr 705, Dept Biomed Chem & Environm Engn, Environm Engn & Sci Program, Cincinnati, OH 45221 USA.
RP Al-Abed, SR (reprint author), US EPA, Natl Risk Management Res Lab, 26 W Martin Luther King Dr, Cincinnati, OH 45268 USA.
EM al-abed.souhail@epa.gov
FU U.S. EPA National Risk Management Research Laboratory, Cincinnati, Ohio;
DOE Office of Science [DE-AC02-06CH11357]
FX This research was performed and funded by the U.S. EPA National Risk
Management Research Laboratory, Cincinnati, Ohio. This paper has been
subjected to the Agency's internal review and quality assurance
approval. The views and conclusions presented herein do not reflect the
views of the Agency or its policy. This research used resources of the
Advanced Photon Source, a U.S. Department of Energy ( DOE) Office of
Science User Facility operated for the DOE Office of Science by Argonne
National Laboratory under Contract No. DE-AC02-06CH11357. The authors
thank Dr. Raghuraman Venkatapathy for the valuable comments on the
manuscript.
NR 49
TC 0
Z9 0
U1 17
U2 17
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0048-9697
EI 1879-1026
J9 SCI TOTAL ENVIRON
JI Sci. Total Environ.
PD JAN 1
PY 2017
VL 575
BP 1522
EP 1529
DI 10.1016/j.scitotenv.2016.10.027
PG 8
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA EF5MD
UT WOS:000390373400153
PM 27743653
ER
PT J
AU Li, H
Yang, S
Xu, ZW
Yan, QY
Li, XB
van Nostrand, JD
He, ZL
Yao, F
Han, XG
Zhou, JZ
Deng, Y
Jiang, Y
AF Li, Hui
Yang, Shan
Xu, Zhuwen
Yan, Qingyun
Li, Xiaobin
van Nostrand, Joy D.
He, Zhili
Yao, Fei
Han, Xingguo
Zhou, Jizhong
Deng, Ye
Jiang, Yong
TI Responses of soil microbial functional genes to global changes are
indirectly influenced by aboveground plant biomass variation
SO SOIL BIOLOGY & BIOCHEMISTRY
LA English
DT Article
DE Soil microbial functional genes; Precipitation change; N deposition;
Temperate steppe; Biogeochemical cycling; Functional gene array
ID INNER-MONGOLIA GRASSLANDS; BACTERIAL COMMUNITIES; NITROGEN DEPOSITION;
AMMONIA VOLATILIZATION; INCREASED PRECIPITATION; CARBON SEQUESTRATION;
SEMIARID GRASSLAND; WATER AVAILABILITY; ENZYME-ACTIVITIES; TEMPERATE
STEPPE
AB Global nitrogen (N) deposition and precipitation change are two important factors influencing the diversity and function of terrestrial ecosystems. While considerable efforts have been devoted to investigate the responses of aboveground plant communities to altered precipitation regimes and N enrichment, the variations of belowground soil microbial communities are not well understood, particularly at the functional gene structure level. Based on a 9-year field experiment established in a typical steppe in Inner Mongolia, China, we examined the impacts of projected N deposition and precipitation increment on soil microbial functional gene composition, and assessed the soil/plant factors associated with the observed impacts. The overall functional gene composition significantly shifted in response to precipitation increment, N deposition and their combinations (all ADONIS P < 0.05), and such changes were primarily correlated with soil pH, microbial biomass, and microbial respiration. Water supply increased the abundances of both carbon (C) and N cycling genes, suggesting that the projected precipitation increment could accelerate nutrient cycling in this semi-arid region. N effects were mainly observed on the genes involved in vanillin/lignin degradations, implying that the recalcitrant C would not accumulate in soil under future scenarios of higher N deposition. Structural equation modeling (SEM) analysis revealed that soil dissolved organic carbon (DOC) was a key factor directly determining the abundance of C degradation and N cycling genes, and aboveground plant biomass indirectly influenced gene abundance through enhancing DOC. The present work provides important insights on the microbial functional feedbacks to projected global change in this semi-arid grassland ecosystem, and the mechanisms governing C and N cycles at the regional scale. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Li, Hui; Yang, Shan; Xu, Zhuwen; Li, Xiaobin; Yao, Fei; Han, Xingguo; Jiang, Yong] Chinese Acad Sci, Inst Appl Ecol, CAS Key Lab Forest Ecol & Management, Shenyang 110016, Peoples R China.
[Li, Hui; Yan, Qingyun; van Nostrand, Joy D.; He, Zhili; Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA.
[Li, Hui; Yan, Qingyun; van Nostrand, Joy D.; He, Zhili; Zhou, Jizhong] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA.
[Yan, Qingyun] Chinese Acad Sci, Inst Hydrobiol, State Key Lab Freshwater Ecol & Biotechnol, Wuhan 430072, Peoples R China.
[Zhou, Jizhong] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
[Zhou, Jizhong] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China.
[Deng, Ye] Chinese Acad Sci, Res Ctr Ecoenvironm Sci, CAS Key Lab Environm Biotechnol, 18 Shuangqing Rd, Beijing 100085, Peoples R China.
RP Deng, Y (reprint author), Chinese Acad Sci, Res Ctr Ecoenvironm Sci, CAS Key Lab Environm Biotechnol, 18 Shuangqing Rd, Beijing 100085, Peoples R China.; Jiang, Y (reprint author), Chinese Acad Sci, Inst Appl Ecol, 72 Wenhua Rd, Shenyang 110016, Peoples R China.
EM yedeng@rcees.ac.cn; jiangyong@iae.ac.cn
RI Jiang, Yong/A-2263-2012
OI Jiang, Yong/0000-0001-7518-5810
FU Major State Research Development Program of China [2016YFC0500601,
2016YFC0500707]; Program of the National Science Foundation of China
[41371251, 31370009]
FX This work was financially supported by the Major State Research
Development Program of China (2016YFC0500601 and 2016YFC0500707), and
Program of the National Science Foundation of China (41371251 and
31370009). We thank the Duolun Restoration Ecology Research Station,
Inner Mongolia, for providing the experimental sites.
NR 74
TC 0
Z9 0
U1 87
U2 87
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0038-0717
J9 SOIL BIOL BIOCHEM
JI Soil Biol. Biochem.
PD JAN
PY 2017
VL 104
BP 18
EP 29
DI 10.1016/j.soilbio.2016.10.009
PG 12
WC Soil Science
SC Agriculture
GA EE4EU
UT WOS:000389555900003
ER
PT J
AU Hu, ZH
Xu, CG
McDowell, NG
Johnson, DJ
Wang, MH
Luo, YQ
Zhou, XH
Huang, ZQ
AF Hu, Zhenhong
Xu, Chonggang
McDowell, Nathan G.
Johnson, Daniel J.
Wang, Minhuang
Luo, Yiqi
Zhou, Xuhui
Huang, Zhiqun
TI Linking microbial community composition to C loss rates during wood
decomposition
SO SOIL BIOLOGY & BIOCHEMISTRY
LA English
DT Article
DE Wood decomposition; Carbon molecular structure; Microbial community;
PLFA; Wood moisture; Decay rate; Cunninghamia lanceolata
ID EXTRACELLULAR ENZYME-ACTIVITY; LITTER DECOMPOSITION; NITROGEN TRANSFER;
ORGANIC-MATTER; BOREAL FORESTS; LEAF-LITTER; DEAD WOOD; CARBON; SOIL;
DYNAMICS
AB Although decaying wood plays an important role in global carbon (C) cycling, how changes in microbial community are related to wood C quality and then affect wood organic C loss during wood decomposition remains unclear. In this study, a chronosequence method was used to examine the relationships between wood C loss rates and microbial community compositions during Chinese fir (Cunninghamia lanceolata) stump decomposition. Our results showed that microbial community shifted from fungi dominated at early stages (0-15 years) to relatively more bacteria-dominated at later stages (15-35 years) of wood decomposition. Fungal phospholipid fatty acid (PLFA) content primarily explained wood C loss rates at early stages of wood decomposition. Fungal biomass was positively correlated with proportions of relatively high-quality C (e.g., O-alkyl C), but bacterial biomass was positively correlated with low-quality C. In addition, fungi appeared to be the dominated community under low wood moisture (<20%) at early stages, but fungal biomass tended to decrease and bacterial biomass increased with increasing wood moisture at later stages. Our findings suggest that the fungal community is the dominant decomposer of wood at early stages and may be positively influenced by relatively high quality wood C and low wood moisture. Bacterial community may benefited from low-quality wood C and high wood moisture at later stages. Enhanced understanding of microbial responses to wood quality and environment is important to improve predictions in wood decomposition models. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Hu, Zhenhong] Fudan Univ, Key Lab Biodivers Sci & Ecol Engn, Minist Educ, Shanghai 200438, Peoples R China.
[Xu, Chonggang; McDowell, Nathan G.; Johnson, Daniel J.] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87544 USA.
[Wang, Minhuang; Huang, Zhiqun] Fujian Normal Univ, Coll Geog Sci, 8 Shangshan Rd, Fuzhou 350007, Fujian, Peoples R China.
[Luo, Yiqi] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA.
[Zhou, Xuhui] East China Normal Univ, Sch Ecol & Environm Sci, Tiantong Natl Field Observat Stn Forest Ecosyst, Shanghai 200062, Peoples R China.
[Zhou, Xuhui] East China Normal Univ, Ctr Global Change & Ecol Forecasting, Shanghai 200062, Peoples R China.
RP Huang, ZQ (reprint author), Fujian Normal Univ, Coll Geog Sci, 8 Shangshan Rd, Fuzhou 350007, Fujian, Peoples R China.; Zhou, XH (reprint author), East China Normal Univ, Sch Ecol & Environm Sci, Shanghai 200062, Peoples R China.
EM xhzhou@des.ecnu.edu.cn; zhiqunhuang@hotmail.com
RI Zhou, Xuhui/H-4332-2011;
OI Zhou, Xuhui/0000-0002-2038-9901
FU National Natural Science Foundation of China [41371269, 31625007,
31570604]; National "973" Program of China [2014CB954002]; China
Scholarship Council [201506100166]; US Department of Energy's Next
Generation Ecosystem Experiment-Tropics
FX We thank a lot two anonymous reviewers for providing constructive
comments that improved the paper. We thank Mr. Zaipeng Yu and Ruiqiang
Liu at Fujian Normal University, China for field and laboratory
assistance, and Sean T. Michaletz and Jianyang Xia for comments that
improved this work. We would like to thank Shenglei Fu for permission to
analyze the microbial community composition in South China Botanical
Garden, Chinese Academy of Sciences. This study was funded by the
National Natural Science Foundation of China (41371269, 31625007 and
31570604), the National "973" Program of China (2014CB954002), the China
Scholarship Council (201506100166) and the US Department of Energy's
Next Generation Ecosystem Experiment-Tropics.
NR 51
TC 0
Z9 0
U1 59
U2 59
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0038-0717
J9 SOIL BIOL BIOCHEM
JI Soil Biol. Biochem.
PD JAN
PY 2017
VL 104
BP 108
EP 116
DI 10.1016/j.soilbio.2016.10.017
PG 9
WC Soil Science
SC Agriculture
GA EE4EU
UT WOS:000389555900011
ER
PT J
AU Nagarajaiah, S
Yang, YC
AF Nagarajaiah, Satish
Yang, Yongchao
TI Modeling and harnessing sparse and low-rank data structure: a new
paradigm for structural dynamics, identification, damage detection, and
health monitoring
SO STRUCTURAL CONTROL & HEALTH MONITORING
LA English
DT Article
DE structural dynamics; system identification; structural health
monitoring; sparse representation; low-rank representation; compressed
sensing; machine learning; blind source separation
ID BLIND SOURCE SEPARATION; ONLY MODAL IDENTIFICATION; INDEPENDENT
COMPONENT ANALYSIS; BEE COLONY ALGORITHM; SYSTEM-IDENTIFICATION;
TIME-FREQUENCY; PHYSICAL INTERPRETATION; SENSOR VALIDATION; DAMPED
STRUCTURES; LIMITED SENSORS
AB This paper presents a new paradigm of explicitly modeling and harnessing the data structure to address the inverse problems in structural dynamics, identification, and data-driven health monitoring. In particular, it is shown that the structural dynamic features and damage information, intrinsic within the structural vibration response measurement data, possesses sparse and low-rank structure, which can be effectively modeled and processed by emerging mathematical tools such as sparse representation and compressed sensing, low-rank matrix decomposition and completion, as well as the unsupervised multivariate blind source separation. It is also discussed that explicitly modeling and harnessing the sparse and low-rank data structure could benefit future work in developing data-driven approaches toward rapid, unsupervised, and effective system identification, damage detection, as well as massive SHM data sensing and management. Copyright (C) 2016 John Wiley & Sons, Ltd.
C1 [Nagarajaiah, Satish] Rice Univ, Dept Civil & Environm Engn, Houston, TX 77005 USA.
[Nagarajaiah, Satish] Rice Univ, Dept Mech Engn, Houston, TX 77005 USA.
[Yang, Yongchao] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Yang, Yongchao] Rice Univ, Dept Civil & Environm Engn, Houston, TX 77005 USA.
RP Nagarajaiah, S (reprint author), Rice Univ, Dept Mech Engn, Houston, TX 77005 USA.; Nagarajaiah, S (reprint author), Rice Univ, Dept Civil & Environm Engn, Houston, TX 77005 USA.
EM Satish.Nagarajaiah@rice.edu
RI Nagarajaiah, Satish/E-6291-2012;
OI Nagarajaiah, Satish/0000-0003-0088-1656; Yang,
Yongchao/0000-0003-1776-3306
NR 69
TC 2
Z9 2
U1 16
U2 16
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1545-2255
EI 1545-2263
J9 STRUCT CONTROL HLTH
JI Struct. Control. Health Monit.
PD JAN
PY 2017
VL 24
IS 1
AR UNSP e1851
DI 10.1002/stc.1851
PG 22
WC Construction & Building Technology; Engineering, Civil; Instruments &
Instrumentation
SC Construction & Building Technology; Engineering; Instruments &
Instrumentation
GA EE7YC
UT WOS:000389840300001
ER
PT J
AU Yang, YC
Nagarajaiah, S
AF Yang, Yongchao
Nagarajaiah, Satish
TI Robust data transmission and recovery of images by compressed sensing
for structural health diagnosis
SO STRUCTURAL CONTROL & HEALTH MONITORING
LA English
DT Article
DE structural health monitoring; image processing; data transmission;
compressed sensing; sparse representation; transform coding
ID MOBILE ROBOT; VISION; RECONSTRUCTION; RECOGNITION; VEHICLE; SYSTEM
AB Digital cameras are cost-effective vision sensors and able to directly provide two-dimensional information of structural condition in monitoring and assessment applications. For example, digital cameras are essential components of unmanned aerial vehicles (UAVs) and robotic agents for mobile sensing and inspection of pipelines, buildings, transportation infrastructure, etc, especially in post-natural disaster and man-made extreme events assessment. Additionally, while surveillance cameras have been widely used for transportation systems (e.g.,traffic monitoring), if appropriately mounted on the large-scale structures such as the bridges, they can continuously monitor the structural condition under operational loads and hazards, complementing the regular visual inspection and assessment conducted by experts. In these or other applications, efficiently and reliably transferring the structural images or videos, which are as such large-scale, are important and challenging, especially in wireless platform that is either required (e.g., UAVs and robotic agents) or more suitable (e.g., camera monitoring networks) with only limited power and communication resources.
This paper studies the computational algorithms for efficient and reliable transmission of the structural monitoring images; in particular, the compressed sensing (CS) technique is explored for robust data transmission and recovery. The sparse representation or data structure of the structural images is exploited, leading to the CS based central strategy: on some sparse domain, randomly encode large-scale image data into few relevant coefficients, which are then transferred (robust to random data loss) and recovered (in base station) for subsequent structural health diagnosis. Image data of bench scale pipe structure, concrete structure and full scale stay cable are employed for validation of the CS based method. Its performance is also compared with traditional transform coding and low-dimensional encoding (sampling), and their advantages and drawbacks are discussed. Copyright (C) 2016 John Wiley & Sons, Ltd.
C1 [Yang, Yongchao; Nagarajaiah, Satish] Rice Univ, Dept Civil & Environm Engn, Houston, TX 77005 USA.
[Yang, Yongchao] Los Alamos Natl Lab, Engn Inst, Los Alamos, NM 87545 USA.
[Nagarajaiah, Satish] Rice Univ, Dept Mech Engn, Houston, TX 77005 USA.
RP Yang, YC (reprint author), Rice Univ, Dept Civil & Environm Engn, Houston, TX 77005 USA.; Yang, YC (reprint author), Los Alamos Natl Lab, Engn Inst, Los Alamos, NM 87545 USA.
EM yangyongchaohit@gmail.com
RI Nagarajaiah, Satish/E-6291-2012;
OI Nagarajaiah, Satish/0000-0003-0088-1656; Yang,
Yongchao/0000-0003-1776-3306
NR 46
TC 1
Z9 1
U1 13
U2 13
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1545-2255
EI 1545-2263
J9 STRUCT CONTROL HLTH
JI Struct. Control. Health Monit.
PD JAN
PY 2017
VL 24
IS 1
AR UNSP e1856
DI 10.1002/stc.1856
PG 15
WC Construction & Building Technology; Engineering, Civil; Instruments &
Instrumentation
SC Construction & Building Technology; Engineering; Instruments &
Instrumentation
GA EE7YC
UT WOS:000389840300006
ER
PT J
AU Skoog, SA
Lu, QJ
Malinauskas, RA
Sumant, AV
Zheng, JW
Goering, PL
Narayan, RJ
Casey, BJ
AF Skoog, Shelby A.
Lu, Qijin
Malinauskas, Richard A.
Sumant, Anirudha V.
Zheng, Jiwen
Goering, Peter L.
Narayan, Roger J.
Casey, Brendan J.
TI Effects of nanotopography on the in vitro hemocompatibility of
nanocrystalline diamond coatings
SO JOURNAL OF BIOMEDICAL MATERIALS RESEARCH PART A
LA English
DT Article
DE nanocrystalline diamond; hemocompatibility; cardiovascular devices;
nanostructured topography; blood
ID PLATELET-ADHESION; RAMAN-SPECTROSCOPY; HUMAN BLOOD; BIOMEDICAL
APPLICATIONS; MEDICAL APPLICATIONS; SURFACE-TOPOGRAPHY; TITANIUM-OXIDE;
WEAR BEHAVIOR; ACTIVATION; IMPLANTS
AB Nanocrystalline diamond (NCD) coatings have been investigated for improved wear resistance and enhanced hemocompatibility of cardiovascular devices. The goal of this study was to evaluate the effects of NCD surface nanotopography on in vitro hemocompatibility. NCD coatings with small (NCD-S) and large (NCD-L) grain sizes were deposited using microwave plasma chemical vapor deposition and characterized using scanning electron microscopy, atomic force microscopy, contact angle testing, and Raman spectroscopy. NCD-S coatings exhibited average grain sizes of 50-80 nm (RMS 5.8 nm), while NCD-L coatings exhibited average grain sizes of 200-280 nm (RMS 23.1 nm). In vitro hemocompatibility testing using human blood included protein adsorption, hemolysis, nonactivated partial thromboplastin time, platelet adhesion, and platelet activation. Both NCD coatings demonstrated low protein adsorption, a nonhemolytic response, and minimal activation of the plasma coagulation cascade. Furthermore, the NCD coatings exhibited low thrombogenicity with minimal platelet adhesion and aggregation, and similar morphological changes to surface-bound platelets (i.e., activation) in comparison to the HDPE negative control material. For all assays, there were no significant differences in the blood-material interactions of NCD-S versus NCD-L. The two tested NCD coatings, regardless of nanotopography, had similar hemocompatibility profiles compared to the negative control material (HDPE) and should be further evaluated for use in blood-contacting medical devices. (c) 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 105A: 253-264, 2017.
C1 [Skoog, Shelby A.; Narayan, Roger J.] Univ N Carolina, Joint Dept Biomed Engn, Raleigh, NC 27695 USA.
[Skoog, Shelby A.; Narayan, Roger J.] North Carolina State Univ, Raleigh, NC 27695 USA.
[Skoog, Shelby A.; Lu, Qijin; Malinauskas, Richard A.; Zheng, Jiwen; Goering, Peter L.; Casey, Brendan J.] US FDA, Off Sci & Engn Labs, Ctr Devices & Radiol Hlth, Silver Spring, MD 20993 USA.
[Sumant, Anirudha V.] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Skoog, SA (reprint author), Univ N Carolina, Joint Dept Biomed Engn, Raleigh, NC 27695 USA.; Skoog, SA (reprint author), North Carolina State Univ, Raleigh, NC 27695 USA.; Skoog, SA (reprint author), US FDA, Off Sci & Engn Labs, Ctr Devices & Radiol Hlth, Silver Spring, MD 20993 USA.
EM Shelby.Skoog@FDA.HHS.GOV
FU NSF/FDA [1136330]; U. S. Department of Energy, Office of Science, Office
of Basic Energy Sciences [DE-AC02-06CH11357]; FDA
FX Shelby Skoog was supported in part by an NSF/FDA Scholar-in-Residence
Award #1136330. Use of the Center for Nanoscale Materials, Argonne
National Laboratory, was supported by the U. S. Department of Energy,
Office of Science, Office of Basic Energy Sciences, under Contract No.
DE-AC02-06CH11357. The authors would like to acknowledge FDA intramural
research funding and the FDA White Oak Nanotechnology Core Facility for
instrument use, scientific, and technical assistance.
NR 72
TC 0
Z9 0
U1 8
U2 8
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1549-3296
EI 1552-4965
J9 J BIOMED MATER RES A
JI J. Biomed. Mater. Res. Part A
PD JAN
PY 2017
VL 105
IS 1
BP 253
EP 264
DI 10.1002/jbm.a.35872
PG 12
WC Engineering, Biomedical; Materials Science, Biomaterials
SC Engineering; Materials Science
GA ED8UC
UT WOS:000389145400026
PM 27543370
ER
PT J
AU Drouin, BJ
Benner, DC
Brown, LR
Cich, MJ
Crawford, TJ
Devi, VM
Guillaume, A
Hodges, JT
Mlawer, EJ
Robichaud, DJ
Oyafuso, F
Payne, VH
Sung, KY
Wishnow, EH
Yu, SS
AF Drouin, Brian J.
Benner, D. Chris
Brown, Linda R.
Cich, Matthew J.
Crawford, Timothy J.
Devi, V. Malathy
Guillaume, Alexander
Hodges, Joseph T.
Mlawer, Eli J.
Robichaud, David J.
Oyafuso, Fabiano
Payne, Vivienne H.
Sung, Keeyoon
Wishnow, Edward H.
Yu, Shanshan
TI Multispectrum analysis of the oxygen A-band
SO JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER
LA English
DT Article
DE Oxygen; Atmospheric absorption; Collision-induced absorption;
Multispectrum fitting; Spectral lineshapes
ID MOLECULAR SPECTROSCOPIC DATABASE; RING-DOWN SPECTROSCOPY;
FOURIER-TRANSFORM SPECTROMETER; CO2 RETRIEVAL ALGORITHM; LINE
PARAMETERS; MU-M; O-2; ABSORPTION; TRANSITIONS; INTENSITIES
AB Retrievals of atmospheric composition from near-infrared measurements require measurements of airmass to better than the desired precision of the composition. The oxygen bands are obvious choices to quantify airmass since the mixing ratio of oxygen is fixed over the full range of atmospheric conditions. The OCO-2 mission is currently retrieving carbon dioxide concentration using the oxygen A-band for airmass normalization. The 0.25% accuracy desired for the carbon dioxide concentration has pushed the required state-of-the-art for oxygen spectroscopy. To measure 02 A-band cross-sections with such accuracy through the full range of atmospheric pressure requires a sophisticated line shape model (Rautian or Speed-Dependent Voigt) with line mixing (LM) and collision induced absorption (CIA). Models of each of these phenomena exist, however, this work presents an integrated self-consistent model developed to ensure the best accuracy.
It is also important to consider multiple sources of spectroscopic data for such a study in order to improve the dynamic range of the model and to minimize effects of instrumentation and associated systematic errors. The techniques of Fourier Transform Spectroscopy (FTS) and Cavity Ring-Down Spectroscopy (CRDS) allow complimentary information for such an analysis. We utilize multispectrum fitting software to generate a comprehensive new database with improved accuracy based on these datasets. The extensive information will be made available as a multi-dimensional cross-section (ABSCO) table and the parameterization will be offered for inclusion in the HITRANonline database. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Drouin, Brian J.; Brown, Linda R.; Cich, Matthew J.; Crawford, Timothy J.; Guillaume, Alexander; Oyafuso, Fabiano; Payne, Vivienne H.; Sung, Keeyoon; Yu, Shanshan] CALTECH, Jet Prop Lab, NASA, 4800 Oak Grove Dr, Pasadena, CA 91109 USA.
[Benner, D. Chris; Devi, V. Malathy] Coll William & Mary, Dept Phys, Williamsburg, VA 23185 USA.
[Hodges, Joseph T.] NIST, Mat Measurement Lab, 100 Bur Dr, Gaithersburg, MD 20899 USA.
[Mlawer, Eli J.] Atmospher & Environm Res, Lexington, MA USA.
[Robichaud, David J.] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
[Wishnow, Edward H.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Wishnow, Edward H.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA.
RP Drouin, BJ (reprint author), CALTECH, Jet Prop Lab, NASA, 4800 Oak Grove Dr, Pasadena, CA 91109 USA.
EM brian.j.drouin@jpl.nasa.gov
RI Sung, Keeyoon/I-6533-2015; Yu, Shanshan/D-8733-2016
FU Intramural NIST DOC [9999-NIST]
NR 69
TC 0
Z9 0
U1 13
U2 13
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0022-4073
EI 1879-1352
J9 J QUANT SPECTROSC RA
JI J. Quant. Spectrosc. Radiat. Transf.
PD JAN
PY 2017
VL 186
SI SI
BP 118
EP 138
DI 10.1016/j.jqsrt.2016.03.037
PG 21
WC Optics; Spectroscopy
SC Optics; Spectroscopy
GA ED7BP
UT WOS:000389011000010
PM 27840454
ER
PT J
AU Okabayashi, M
Zanca, P
Strait, EJ
Garofalo, AM
Hanson, JM
In, Y
La Haye, RJ
Marrelli, L
Martin, P
Paccagnella, R
Paz-Soldan, C
Piovesan, P
Piron, C
Piron, L
Shiraki, D
Volpe, FA
AF Okabayashi, M.
Zanca, P.
Strait, E. J.
Garofalo, A. M.
Hanson, J. M.
In, Y.
La Haye, R. J.
Marrelli, L.
Martin, P.
Paccagnella, R.
Paz-Soldan, C.
Piovesan, P.
Piron, C.
Piron, L.
Shiraki, D.
Volpe, F. A.
CA DIII-D & RFX-mod Teams
TI Avoidance of tearing mode locking with electro-magnetic torque
introduced by feedback-based mode rotation control in DIII-D and RFX-mod
SO NUCLEAR FUSION
LA English
DT Article
DE tokamak; toroidal confinement experiment; MHD stability; neo-classical
tearing mode
ID TOKAMAK; STABILIZATION; ISLANDS; FIELD
AB Disruptions caused by tearing modes (TMs) are considered to be one of the most critical roadblocks to achieving reliable, steady-state operation of tokamak fusion reactors. Here we have demonstrated a promising scheme to avoid mode locking by utilizing the electromagnetic (EM) torque produced with 3D coils that are available in many tokamaks. In this scheme, the EM torque is delivered to the modes by a toroidal phase shift between the externally applied field and the excited TM fields, compensating for the mode momentum loss through the interaction with the resistive wall and uncorrected error fields. Fine control of torque balance is provided by a feedback scheme. We have explored this approach in two widely different devices and plasma conditions: DIII-D and RFX-mod operated in tokamak mode. In DIII-D, the plasma target was high beta N in a non-circular divertor tokamak. Here beta N is defined as beta N = beta/(I-p/aB(t)) (% Tm/MA), where beta, I-p, a, B-t are the total stored plasma pressure normalized by the magnetic pressure, plasma current, plasma minor radius and toroidal magnetic field at the plasma center, respectively. The RFX-mod plasma was ohmicallyheated with ultra-low safety factor in a circular limiter discharge with active feedback coils outside the thick resistive shell. The DIII-D and RFX-mod experiments showed remarkable consistency with theoretical predictions of torque balance. The application to ignition-oriented devices such as the International Thermonuclear Experimental Reactor (ITER) would expand the horizon of its operational regime. The internal 3D coil set currently under consideration for edge localized mode suppression in ITER would be well suited for this purpose.
C1 [Okabayashi, M.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
[Zanca, P.; Marrelli, L.; Martin, P.; Paccagnella, R.; Piovesan, P.; Piron, C.; Piron, L.] Assoc Euratom ENEA Fus, Consorzio RFX, Padua, Italy.
[Strait, E. J.; Garofalo, A. M.; La Haye, R. J.; Paz-Soldan, C.] Gen Atom, POB 85608, San Diego, CA 92186 USA.
[Hanson, J. M.; Shiraki, D.; Volpe, F. A.] Columbia Univ, 2960 Broadway, New York, NY 10027 USA.
[In, Y.] FAR TECH Inc, San Diego, CA 92121 USA.
[Shiraki, D.] Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA.
RP Okabayashi, M (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
EM mokabaya@pppl.gov
RI Volpe, Francesco/D-2994-2009
OI Volpe, Francesco/0000-0002-7193-7090
FU US Department of Energy, Office of Science, Office of Fusion Energy
Sciences, a DOE Office of Science user facility [DE-AC02-09CH114661,
DE-FC02-04ER546983, DE-FG02-04ER547614, DE-SC00085204,
DE-FG02-08ER851955]
FX This material is based upon work supported in part by the US Department
of Energy, Office of Science, Office of Fusion Energy Sciences, using
the DIII-D National Fusion Facility, a DOE Office of Science user
facility, under Awards DE-AC02-09CH114661, DE-FC02-04ER546983,
DE-FG02-04ER547614, DE-SC00085204, and DE-FG02-08ER851955.
NR 16
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U1 5
U2 5
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0029-5515
EI 1741-4326
J9 NUCL FUSION
JI Nucl. Fusion
PD JAN
PY 2017
VL 57
IS 1
AR 016035
DI 10.1088/1741-4326/57/1/016035
PG 13
WC Physics, Fluids & Plasmas
SC Physics
GA ED9RK
UT WOS:000389210100001
ER
PT J
AU Wang, F
Fu, GY
Shen, W
AF Wang, Feng
Fu, G. Y.
Shen, Wei
TI Nonlinear fishbone dynamics in spherical tokamaks
SO NUCLEAR FUSION
LA English
DT Article
DE NSTX; fishbone; frequency chirping; nonlinear dynamics; wave-particle
interaction
ID CLUMP PAIR CREATION; INTERNAL KINK; PLASMAS; SIMULATIONS; INSTABILITY;
MODES; CODE; IONS
AB Linear and nonlinear kinetic-MHD hybrid simulations have been carried out to investigate linear stability and nonlinear dynamics of beam-driven fishbone instability in spherical tokamak plasmas. Realistic NSTX parameters with finite toroidal rotation were used. The results show that the fishbone is driven by both trapped and passing particles. The instability drive of passing particles is comparable to that of trapped particles in the linear regime. The effects of rotation are destabilizing and a new region of instability appears at higher qmin (> 1.5) values, q(min) being the minimum of safety factor profile. In the nonlinear regime, the mode saturates due to flattening of beam ion distribution, and this persists after initial saturation while mode frequency chirps down in such a way that the resonant trapped particles move out radially and keep in resonance with the mode. Correspondingly, the flattening region of beam ion distribution expands radially outward. A substantial fraction of initially non-resonant trapped particles become resonant around the time of mode saturation and keep in resonance with the mode as frequency chirps down. On the other hand, the fraction of resonant passing particles is significantly smaller than that of trapped particles. Our analysis shows that trapped particles provide the main drive to the mode in the nonlinear regime.
C1 [Wang, Feng; Fu, G. Y.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[Wang, Feng] Dalian Univ Technol, Sch Phys & Optoelect Technol, Minist Educ, Key Lab Mat Modificat Laser Ion & Electron Beams, Dalian 116024, Peoples R China.
[Fu, G. Y.] Zhejiang Univ, Inst Fus Theory & Simulat, Hangzhou 310027, Zhejiang, Peoples R China.
[Fu, G. Y.] Zhejiang Univ, Dept Phys Hangzhou, Hangzhou 310027, Zhejiang, Peoples R China.
[Shen, Wei] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China.
RP Fu, GY (reprint author), Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.; Fu, GY (reprint author), Zhejiang Univ, Inst Fus Theory & Simulat, Hangzhou 310027, Zhejiang, Peoples R China.; Fu, GY (reprint author), Zhejiang Univ, Dept Phys Hangzhou, Hangzhou 310027, Zhejiang, Peoples R China.
EM fu@pppl.gov
FU Department of Energy Scientific Discovery through Advanced Computing
(SciDAC) [DE-AC02-09CH11466]; National Natural Science Foundation of
China [11505022]; China Postdoctoral Science Foundation [2014M561218];
CASHIPS [YZJJ201510]
FX This work is supported by the Department of Energy Scientific Discovery
through Advanced Computing (SciDAC) under Grant No. DE-AC02-09CH11466,
the National Natural Science Foundation of China under Grant No.
11505022, China Postdoctoral Science Foundation under Grant No.
2014M561218, and the CASHIPS Director's Fund under Grant No. YZJJ201510.
All this simulations were performed on super-computers at the National
Energy Research Scientific Computing Center (NERSC). One of the authors
(Feng Wang) thanks Dr. Huishan Cai from University of Science and
Technology of China), Dr. Mario Podesta, Dr. Eric Fredrickson and Dr.
Nikolai Gorelenkov from Princeton Plasma Physics Laboratory for their
valuable suggestions. And we also thank Dr. Guangzhou Hao from
University of California, Irvine for his help about NSTX experimental
data.
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PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0029-5515
EI 1741-4326
J9 NUCL FUSION
JI Nucl. Fusion
PD JAN
PY 2017
VL 57
IS 1
AR 016034
DI 10.1088/0029-5515/57/1/016034
PG 11
WC Physics, Fluids & Plasmas
SC Physics
GA EE0FB
UT WOS:000389248400003
ER
PT J
AU Myers, CE
Yamada, M
Ji, H
Yoo, J
Jara-Almonte, J
Fox, W
AF Myers, C. E.
Yamada, M.
Ji, H.
Yoo, J.
Jara-Almonte, J.
Fox, W.
TI Quasi-static and dynamic magnetic tension forces in arched, line-tied
magnetic flux ropes
SO PLASMA PHYSICS AND CONTROLLED FUSION
LA English
DT Article
DE laboratory astrophysics; magnetic flux ropes; coronal mass ejections;
failed eruptions
ID CORONAL MASS EJECTIONS; SOLAR ERUPTIONS; TORUS INSTABILITY; KINK
INSTABILITY; PLASMA; RECONNECTION; EQUILIBRIUM; PROMINENCES; RELAXATION;
EVOLUTION
AB Solar eruptions are often driven by magnetohydrodynamic instabilities such as the torus and kink instabilities that act on line-tied magnetic flux ropes. Recent laboratory experiments designed to study these eruptive instabilities have demonstrated the key role of both dynamic (Myers et al 2015 Nature 528 526) and quasi-static (Myers et al 2016 Phys. Plasmas 23 112102) magnetic tension forces in contributing to the equilibrium and stability of line-tied magnetic flux ropes. In this paper, we synthesize these laboratory results and explore the relationship between the dynamic and quasi-static tension forces. While the quasi-static tension force is found to contribute to the flux rope equilibrium in a number of regimes, the dynamic tension force is substantial mostly in the so-called failed torus regime where magnetic self-organization events prevent the flux rope from erupting.
C1 [Myers, C. E.; Yamada, M.; Ji, H.; Yoo, J.; Jara-Almonte, J.; Fox, W.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
[Ji, H.; Jara-Almonte, J.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA.
[Ji, H.] Harbin Inst Technol, Lab Space Environm & Phys Sci, Harbin 150001, Heilongjiang, Peoples R China.
RP Myers, CE (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
EM cmyers@pppl.gov
FU Department of Energy (DoE) [DE-AC02-09CH11466]; National Science
Foundation/DoE Center for Magnetic Self-Organization (CMSO)
FX The authors thank R Cutler, E E Lawrence, F Scotti, P Sloboda, and T D
Tharp for technical contributions and R M Kulsrud for useful
discussions. This research is supported by Department of Energy (DoE)
contract number DE-AC02-09CH11466 and by the National Science
Foundation/DoE Center for Magnetic Self-Organization (CMSO). The digital
data for this paper can be found at
http://arks.princeton.edu/ark:/88435/dsp01j67316255.
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PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0741-3335
EI 1361-6587
J9 PLASMA PHYS CONTR F
JI Plasma Phys. Control. Fusion
PD JAN
PY 2017
VL 59
IS 1
BP 24
EP 31
AR 014048
DI 10.1088/0741-3335/59/1/014048
PG 8
WC Physics, Fluids & Plasmas
SC Physics
GA EE0GV
UT WOS:000389253200003
ER
PT J
AU Suttrop, W
Kirk, A
Nazikian, R
Leuthold, N
Strumberger, E
Willensdorfer, M
Cavedon, M
Dunne, M
Fischer, R
Fietz, S
Fuchs, JC
Liu, YQ
McDermott, RM
Orain, F
Ryan, DA
Viezzer, E
AF Suttrop, W.
Kirk, A.
Nazikian, R.
Leuthold, N.
Strumberger, E.
Willensdorfer, M.
Cavedon, M.
Dunne, M.
Fischer, R.
Fietz, S.
Fuchs, J. C.
Liu, Y. Q.
McDermott, R. M.
Orain, F.
Ryan, D. A.
Viezzer, E.
CA ASDEX Upgrade Team
DIII-D Team
Eurofusion MST1 Team
TI Experimental studies of high-confinement mode plasma response to
non-axisymmetric magnetic perturbations in ASDEX Upgrade
SO PLASMA PHYSICS AND CONTROLLED FUSION
LA English
DT Article
DE tokamak; ASDEX Upgrade; magnetic perturbation; high-confinement mode;
edge-localised mode; ELM mitigation; ELM suppression
ID EDGE LOCALIZED MODES; DYNAMIC ERGODIC DIVERTOR; ERROR FIELD CORRECTION;
RESISTIVE WALL MODES; HIGH-BETA; IMPURITY TRANSPORT; SADDLE COILS;
DIII-D; TOKAMAK; DISCHARGES
AB The interaction of externally applied small non-axisymmetric magnetic perturbations (MP) with tokamak high-confinement mode (H-mode) plasmas is reviewed and illustrated by recent experiments in ASDEX Upgrade. The plasma response to the vacuum MP field is amplified by stable ideal kink modes with low toroidal mode number n driven by the H-mode edge pressure gradient (and associated bootstrap current) which is experimentally evidenced by an observable shift of the poloidal mode number m away from field alignment (m = qn, with q being the safety factor) at the response maximum. A torque scan experiment demonstrates the importance of the perpendicular electron flow for shielding of the resonant magnetic perturbation, as expected from a two-fluid MHD picture. Two significant effects of MP occur in H-mode plasmas at low pedestal collisionality, nu(ped)* <= 0.4: (a) a reduction of the global plasma density by up to 61% and (b) a reduction of the energy loss associated with edge localised modes (ELMs) by a factor of up to 9. A comprehensive database of ELM mitigation pulses at low nu* in ASDEX Upgrade shows that the degree of ELM mitigation correlates with the reduction of pedestal pressure which in turn is limited and defined by the onset of ELMs, i.e. a modification of the ELM stability limit by the magnetic perturbation.
C1 [Suttrop, W.; Leuthold, N.; Strumberger, E.; Willensdorfer, M.; Cavedon, M.; Dunne, M.; Fischer, R.; Fietz, S.; Fuchs, J. C.; McDermott, R. M.; Orain, F.; Viezzer, E.] Max Planck Inst Plasma Phys, D-85740 Garching, Germany.
[Kirk, A.; Liu, Y. Q.; Ryan, D. A.] Culham Sci Ctr, CCFE, Abingdon OX14 3DB, Oxon, England.
[Nazikian, R.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
[Ryan, D. A.] Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England.
RP Suttrop, W (reprint author), Max Planck Inst Plasma Phys, D-85740 Garching, Germany.
EM Wolfgang.Suttrop@ipp.mpg.de
OI Viezzer, Eleonora/0000-0001-6419-6848
FU Euratom research and training programme [633053]; US Department of
Energy [DE-AC02-09CH11466]
FX This work has been carried out within the framework of the EUROfusion
Consortium and has received funding from the Euratom research and
training programme 2014-2018 under grant agreement No 633053. The views
and opinions expressed herein do not necessarily reflect those of the
European Commission. One author (R.N.) acknowledges support from the US
Department of Energy contract DE-AC02-09CH11466.
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PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0741-3335
EI 1361-6587
J9 PLASMA PHYS CONTR F
JI Plasma Phys. Control. Fusion
PD JAN
PY 2017
VL 59
IS 1
BP 32
EP 46
AR 014049
DI 10.1088/0741-3335/59/1/014049
PG 15
WC Physics, Fluids & Plasmas
SC Physics
GA EE0GV
UT WOS:000389253200004
ER
PT J
AU Falk, K
Fryer, CL
Gamboa, EJ
Greeff, CW
Johns, HM
Schmidt, DW
Smid, M
Benage, JF
Montgomery, DS
AF Falk, K.
Fryer, C. L.
Gamboa, E. J.
Greeff, C. W.
Johns, H. M.
Schmidt, D. W.
Smid, M.
Benage, J. F.
Montgomery, D. S.
TI X-ray Thomson scattering measurement of temperature in warm dense carbon
SO PLASMA PHYSICS AND CONTROLLED FUSION
LA English
DT Article
DE warm dense matter; equation of state; laser plasmas; dynamic
compression; shock physics
ID MOLECULAR-DYNAMICS; SIMULATIONS; COMPRESSION; ELECTRONS; PLASMAS; SYSTEM
AB A novel platform to measure the equation of state using a combination of diagnostics, where the spectrally resolved x-ray Thomson scattering (XRTS) is used to obtain accurate temperature measurements of warm dense matter (WDM) was developed for the OMEGA laser facility. OMEGA laser beams have been used to drive strong shocks in carbon targets creating WDM and generating the Ni He-alpha x-ray probe used for XRTS. Additional diagnostics including x-ray radiography, velocity interferometry and streaked optical pyrometry provided complementary measurements of density and pressure. The WDM regime of near solid density and moderate temperatures (1-100 eV) is a challenging yet important area of research in inertial confinement fusion and astrophysics. This platform has been used to study off-Hugoniot states of shock-released diamond and graphite at pressures between 1 and 10 Mbar and temperatures between 5 and 15 eV as well as first x-ray Thomson scattering data from shocked low density CH foams reaching five times compression and temperatures of 20-30 eV.
C1 [Falk, K.; Smid, M.] ELI Beamlines, Inst Phys ASCR, Prague 18221, Czech Republic.
[Falk, K.; Fryer, C. L.; Greeff, C. W.; Johns, H. M.; Schmidt, D. W.; Benage, J. F.; Montgomery, D. S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Gamboa, E. J.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA.
[Benage, J. F.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Falk, K (reprint author), ELI Beamlines, Inst Phys ASCR, Prague 18221, Czech Republic.; Falk, K (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM katerina.falk@eli-beams.eu
OI Falk, Katerina/0000-0001-5975-776X; Montgomery,
David/0000-0002-2355-6242
FU US DOE/NNSA [DE-AC52-06NA25396]; European Regional Development Fund
[CZ.02.1.01/0.0/0.0/15 008/0000162]
FX The authors would like to acknowledge the hard work of the LANL target
fabrication group, P A Keiter and S R Klein from U. of Michigan for
their work on the IXTS, OMEGA experimental team and thank our
collaborators at LANL J D Kress and L A Collins for providing their QMD
simulations. This research was supported by the US DOE/NNSA under
contract number DE-AC52-06NA25396. This work was also supported by the
project ELI-Extreme Light Infrastructure (CZ.02.1.01/0.0/0.0/15
008/0000162) from European Regional Development Fund.
NR 59
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U1 9
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PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0741-3335
EI 1361-6587
J9 PLASMA PHYS CONTR F
JI Plasma Phys. Control. Fusion
PD JAN
PY 2017
VL 59
IS 1
BP 47
EP 53
AR 014050
DI 10.1088/0741-3335/59/1/014050
PG 7
WC Physics, Fluids & Plasmas
SC Physics
GA EE0GV
UT WOS:000389253200005
ER
PT J
AU Casleton, E
Nordman, D
Kaiser, M
AF Casleton, Emily
Nordman, Daniel
Kaiser, Mark
TI A local structure model for network analysis
SO Statistics and Its Interface
LA English
DT Article
DE Conditional distributions; Exponential random graphs; Markov random
fields; Neighborhoods; Network analysis
ID P-ASTERISK MODELS; SOCIAL NETWORKS; CONDITIONAL DISTRIBUTIONS; MARKOV
GRAPHS; PREDICTION; FAMILIES
AB The statistical analysis of networks is a popular research topic with ever widening applications. Exponential random graph models (ERGMs), which specify a model through interpretable, global network features, are common for this purpose. In this paper we introduce a new class of models for network analysis, called local structure graph models (LSGMs). In contrast to an ERGM, a LSGM specifies a network model through local features and allows for an interpretable and controllable local dependence structure. In particular, LSGMs are formulated by a set of full conditional distributions for each network edge, e.g., the probability of edge presence/absence, depending on neighborhoods of other edges. Additional model features are introduced to aid in specification and to help alleviate a common issue (occurring also with ERGMs) of model degeneracy. The proposed models are demonstrated on a network of tornadoes in Arkansas where a LSGM is shown to perform significantly better than a model without local dependence.
C1 [Casleton, Emily] Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA.
[Nordman, Daniel; Kaiser, Mark] Iowa State Univ, Dept Stat, Ames, IA 50011 USA.
RP Casleton, E (reprint author), Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA.
EM ecasleton@lanl.gov; dnordman@iastate.edu; mskaiser@iastate.edu
FU Sandia National Laboratories Laboratory-Directed Research and
Development Program; NSF [DMS-1406747]
FX The authors wish to thank an associate editor and two referees for
comments which helped to improve of an earlier version of the paper. The
work was supported in part by the Sandia National Laboratories
Laboratory-Directed Research and Development Program [3]. Dr. Nordman's
research was partially supported by NSF DMS-1406747.
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U1 3
U2 3
PU INT PRESS BOSTON, INC
PI SOMERVILLE
PA PO BOX 43502, SOMERVILLE, MA 02143 USA
SN 1938-7989
EI 1938-7997
J9 STAT INTERFACE
JI Stat. Interface
PY 2017
VL 10
IS 2
BP 355
EP 367
PG 13
WC Mathematical & Computational Biology; Mathematics, Interdisciplinary
Applications
SC Mathematical & Computational Biology; Mathematics
GA ED7DI
UT WOS:000389015500015
ER
PT J
AU Jones, DR
Jarrett, JM
Tevis, DS
Franklin, M
Mullinix, NJ
Wallon, KL
Quarles, CD
Caldwell, KL
Jones, RL
AF Jones, Deanna R.
Jarrett, Jeffery M.
Tevis, Denise S.
Franklin, Melanie
Mullinix, Neva J.
Wallon, Kristen L.
Quarles, C. Derrick, Jr.
Caldwell, Kathleen L.
Jones, Robert L.
TI Analysis of whole human blood for Pb, Cd, Hg, Se, and Mn by ICP-DRC-MS
for biomonitoring and acute exposures
SO TALANTA
LA English
DT Article
DE Biomonitoring; Reaction cell; ICP-MS; Whole blood; Blood lead;
Manganese; Cadmium; Mercury; Selenium
ID PLASMA-MASS-SPECTROMETRY; DYNAMIC REACTION CELL; TRACE-ELEMENTS;
MANGANESE EXPOSURE; RISK-ASSESSMENT; PUBLIC-HEALTH; SELENIUM; URINE;
LEAD; MERCURY
AB We improved our inductively coupled plasma mass spectrometry (ICP-MS) whole blood method [1] for determination of lead (Pb), cadmium (Cd), and mercury (Hg) by including manganese (Mn) and selenium (Se), and expanding the calibration range of all analytes. The method is validated on a PerkinElmer (PE) ELAN (R) DRC II ICP-MS (ICP-DRC-MS) and uses the Dynamic Reaction Cell (DRC) technology to attenuate interfering background ion signals via ion-molecule reactions. Methane gas (CH4) eliminates background signal from Ar-40(2)+ PO to permit determination of Se-80(+), and oxygen gas (O-2) eliminates several polyatomic interferences (e.g. (Ar15N+)-Ar-40, (FeH+)-Fe-54-H-1) on Mn-55(+). Hg sensitivity in DRC mode is a factor of two higher than vented mode when measured under the same DRC conditions as Mn due to collisional focusing of the ion beam. To compensate for the expanded method's longer analysis time (due to DRC mode pause delays), we implemented an SC4-FAST autosampler (ESI Scientific, Omaha, NE), which vacuum loads the sample onto a loop, to keep the sample-to-sample measurement time to less than 5 min, allowing for preparation and analysis of 60 samples in an 8-h work shift. The longer analysis time also resulted in faster breakdown of the hydrocarbon oil in the interface roughing pump. The replacement of the standard roughing pump with a pump using a fluorinated lubricant, Fomblin (R), extended the time between pump maintenance. We optimized the diluent and rinse solution components to reduce carryover from high concentration samples and prevent the formation of precipitates. We performed a robust calculation to determine the following limits of detection (LOD) in whole blood: 0.07 mu g dL(-1) for Pb, 0.10 mu g L-1 for Cd, 0.28 mu g L-1 for Hg, 0.99 mu g L-1 for Mn, and 24.5 mu g L-1 for Se.
C1 [Jones, Deanna R.; Jarrett, Jeffery M.; Tevis, Denise S.; Franklin, Melanie; Mullinix, Neva J.; Wallon, Kristen L.; Quarles, C. Derrick, Jr.; Caldwell, Kathleen L.; Jones, Robert L.] Ctr Dis Control & Prevent, Div Sci Lab, Natl Ctr Environm Hlth, Atlanta, GA 30341 USA.
[Franklin, Melanie] Battelle Mem Inst, 2987 Clairmont Rd,Suite 450, Atlanta, GA 30329 USA.
[Quarles, C. Derrick, Jr.] Oak Ridge Inst Sci & Educ, POB 117, Oak Ridge, TN 37831 USA.
[Quarles, C. Derrick, Jr.] Appl Spectra Inc, 46665 Fremont Blvd, Fremont, CA 94538 USA.
RP Jones, DR (reprint author), Div Sci Lab, 4770 Buford Highway,MS F-18, Atlanta, GA 30341 USA.
EM dmjones1@cdc.gov
FU Intramural CDC HHS [CC999999]
NR 57
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U1 38
U2 38
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0039-9140
EI 1873-3573
J9 TALANTA
JI Talanta
PD JAN 1
PY 2017
VL 162
BP 114
EP 122
DI 10.1016/j.talanta.2016.09.060
PG 9
WC Chemistry, Analytical
SC Chemistry
GA ED7YN
UT WOS:000389088700016
PM 27837806
ER
PT J
AU Mayeshiba, T
Wu, H
Angsten, T
Kaczmarowski, A
Song, ZW
Jenness, G
Xie, W
Morgan, D
AF Mayeshiba, Tam
Wu, Henry
Angsten, Thomas
Kaczmarowski, Amy
Song, Zhewen
Jenness, Glen
Xie, Wei
Morgan, Dane
TI The MAterials Simulation Toolkit (MAST) for atomistic modeling of
defects and diffusion
SO COMPUTATIONAL MATERIALS SCIENCE
LA English
DT Article
DE Ab-initio; Defect; Diffusion; DFT; Atomic; Simulation
ID AB-INITIO CALCULATIONS; MINIMUM ENERGY PATHS; ELASTIC BAND METHOD;
OXYGEN MIGRATION; SADDLE-POINTS; PEROVSKITES; ALLOYS
AB The MAterials Simulation Toolkit (MAST) is a workflow manager and post-processing tool for ab initio defect and diffusion workflows. MAST codifies research knowledge and best practices for such workflows, and allows for the generation and management of easily modified and reproducible workflows, where data is stored along with workflow information for data provenance tracking. MAST is available for down-load through the Python Package Index, or at https://pypi.python.orgipypi/MAST, with installation instructions and a detailed user's guide at http://pythonhosted.org/MAST. MAST code may be browsed at the GitHub repository at https://github.com/uw-cmg/MAST. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Mayeshiba, Tam; Wu, Henry; Angsten, Thomas; Kaczmarowski, Amy; Song, Zhewen; Jenness, Glen; Xie, Wei; Morgan, Dane] Univ Wisconsin, Dept Mat Sci & Engn, 1509 Univ Ave, Madison, WI 53706 USA.
[Angsten, Thomas; Xie, Wei] Univ Calif Berkeley, Dept Mat Sci & Engn, 210 Hearst Min Bldg, Berkeley, CA 94720 USA.
[Kaczmarowski, Amy] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Jenness, Glen] Univ Delaware, Catalysis Ctr Energy Innovat, 221 Acad St, Newark, DE 19716 USA.
RP Morgan, D (reprint author), Univ Wisconsin, Dept Mat Sci & Engn, 1509 Univ Ave, Madison, WI 53706 USA.
EM ddmorgan@wisc.edu
FU NSF [1148011]; NSF Graduate Fellowship Program [DGE-0718123]; Advanced
Opportunity Fellowship through the Graduate Engineering Research
Scholars program at the University of Wisconsin-Madison
FX MAST development takes place in the Computational Materials Group (CMG)
at the University of Wisconsin-Madison as part of the NSF Software
Infrastructure for Sustained Innovation (SI2) program funded
by NSF award number 1148011, and has enjoyed technical collaboration
with developers of pymatgen [15] and the Materials Project (MP) [1].; T.
Mayeshiba gratefully acknowledges support from the NSF Graduate
Fellowship Program under Grant No. DGE-0718123 and an Advanced
Opportunity Fellowship through the Graduate Engineering Research
Scholars program at the University of Wisconsin-Madison. Many underlying
MAST functions are built using pymatgen (http://pymatgen.org), and the
MAST team would especially like to thank pymatgen developers Dr. Shyue
Ping Ong and Dr. Anubhav Jain for their assistance.
NR 37
TC 0
Z9 0
U1 16
U2 16
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0927-0256
EI 1879-0801
J9 COMP MATER SCI
JI Comput. Mater. Sci.
PD JAN
PY 2017
VL 126
BP 90
EP 102
DI 10.1016/j.commatsci.2016.09.018
PG 13
WC Materials Science, Multidisciplinary
SC Materials Science
GA ED7YZ
UT WOS:000389089900013
ER
PT J
AU Jokisaari, AM
Voorhees, PW
Guyer, JE
Warren, J
Heinonen, OG
AF Jokisaari, A. M.
Voorhees, P. W.
Guyer, J. E.
Warren, J.
Heinonen, O. G.
TI Benchmark problems for numerical implementations of phase field models
SO COMPUTATIONAL MATERIALS SCIENCE
LA English
DT Article
DE Phase field model; Benchmark problem; Spinodal decomposition; Ostwald
ripening
ID INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; GENERIC GRID
INTERFACE; WAVE BASIS-SET; MICROSTRUCTURE EVOLUTION; THERMODYNAMIC
DATABASE; BINARY-ALLOYS; SIMULATIONS; PARALLEL; CALPHAD
AB We present the first set of benchmark problems for phase field models that are being developed by the Center for Hierarchical Materials Design (CHiMaD) and the National Institute of Standards and Technology (NIST). While many scientific research areas use a limited set of well-established software, the growing phase field community continues to develop a wide variety of codes and lacks benchmark problems to consistently evaluate the numerical performance of new implementations. Phase field modeling has become significantly more popular as computational power has increased and is now becoming mainstream, driving the need for benchmark problems to validate and verify new implementations. We follow the example set by the micromagnetics community to develop an evolving set of benchmark problems that test the usability, computational resources, numerical capabilities and physical scope of phase field simulation codes. In this paper, we propose two benchmark problems that cover the physics of solute diffusion and growth and coarsening of a second phase via a simple spinodal decomposition model and a more complex Ostwald ripening model. We demonstrate the utility of benchmark problems by comparing the results of simulations performed with two different adaptive time stepping techniques, and we discuss the needs of future benchmark problems. The development of benchmark problems will enable the results of quantitative phase field models to be confidently incorporated into integrated computational materials science and engineering (ICME), an important goal of the Materials Genome Initiative. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Jokisaari, A. M.; Voorhees, P. W.] Northwestern Univ, Ctr Hierarch Mat Design, 2205 Tech Dr, Evanston, IL 60208 USA.
[Voorhees, P. W.] Northwestern Univ, Dept Mat Sci & Engn, 2220 Campus Dr, Evanston, IL 60208 USA.
[Guyer, J. E.; Warren, J.] NIST, Mat Measurement Lab, 100 Bur Dr,MS 8300, Gaithersburg, MD 20899 USA.
[Heinonen, O. G.] Northwestern Argonne Inst Sci & Engn, Evanston, IL 60208 USA.
[Heinonen, O. G.] Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA.
RP Heinonen, OG (reprint author), Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA.
EM heinonen@anl.gov
FU U.S. Department of Commerce, National Institute of Standards and
Technology, Center for Hierarchical Material Design (CHiMaD)
[70NANB14H012]
FX The work by A.M.J., P.W.V., and O.G.H. was performed under financial
assistance award 70NANB14H012 from U.S. Department of Commerce, National
Institute of Standards and Technology as part of the Center for
Hierarchical Material Design (CHiMaD). We gratefully acknowledge the
computing resources provided on Blues and Fission, high-performance
computing clusters operated by the Laboratory Computing Resource Center
at Argonne National Laboratory and the High Performance Computing Center
at Idaho National Laboratory, respectively. Finally, A.M.J. thanks J.R.
Jokisaari for constructive writing feedback.
NR 65
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U1 23
U2 23
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0927-0256
EI 1879-0801
J9 COMP MATER SCI
JI Comput. Mater. Sci.
PD JAN
PY 2017
VL 126
BP 139
EP 151
DI 10.1016/j.commatsci.2016.09.022
PG 13
WC Materials Science, Multidisciplinary
SC Materials Science
GA ED7YZ
UT WOS:000389089900018
ER
PT J
AU Singh, R
Deshmukh, SA
Kamath, G
Sankaranarayanan, SKRS
Balasubramanian, G
AF Singh, Rahul
Deshmukh, Sanket A.
Kamath, Ganesh
Sankaranarayanan, Subramanian K. R. S.
Balasubramanian, Ganesh
TI Controlling the aqueous solubility of PNIPAM with hydrophobic molecular
units
SO COMPUTATIONAL MATERIALS SCIENCE
LA English
DT Article
DE Molecular dynamics; Polymers; Radial distribution function; Hydrogen
bonding
ID POLY N-ISOPROPYLACRYLAMIDE; ATOMIC-SCALE CHARACTERIZATION; CRITICAL
SOLUTION TEMPERATURE; DYNAMICS SIMULATIONS; VIBRATIONAL-SPECTRA;
CONFORMATIONAL TRANSITIONS; RADICAL POLYMERIZATION; AGGREGATION
BEHAVIOR; SOLVATION DYNAMICS; NEUTRON-SCATTERING
AB The effect of co-polymerization of thermo-sensitive polymers with hydrophilic or hydrophobic co-monomers on the LCST and the structure of proximal water remains a fundamental and challenging problem. Here, we employ all-atom molecular dynamics simulations to investigate the aqueous solubility of a thermo-sensitive polymer, poly(N-isopropylacrylamide) (PNIPAM), a hydrophobic polymer polystyrene (PS) and block co-polymers of PNIPAM-co-PS. The simulations of pure oligomers of PNIPAM and PS and their co-polymers are conducted below and above the LCST of PNIPAM to elucidate the effect of increase in number of PS units in PNIPAM-co-PS co-polymers on the coil-to-globule transition of PNIPAM and structure of proximal water. Our simulations suggest that while the LCST of pure PNIPAM oligomers is strongly associated with the structural changes in the proximal water molecules present near PNIPAM, inclusion of PS units disrupts the interactions between PNIPAM and water and promotes the faster dehydration of PNIPAM chains above its LCST. This phenomenon is manifested by a coil-to globule transition in PNIPAM chains present in PNIPAM-co-PS co-polymers at much shorter times as compared to the pure PNIPAM oligomers. Our results also reveal that with increase in the number of PS units in PNIPAM-co-PS co-polymers the coil-to-globule transition is accelerated. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Singh, Rahul; Balasubramanian, Ganesh] Iowa State Univ, Dept Mech Engn, Ames, IA USA.
[Deshmukh, Sanket A.; Kamath, Ganesh; Sankaranarayanan, Subramanian K. R. S.] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Deshmukh, SA (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, Lemont, IL 60439 USA.; Balasubramanian, G (reprint author), Iowa State Univ, 2092 Black Engn Bldg, Ames, IA 50011 USA.
EM sanket@anl.gov; bganesh@iastate.edu
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-06CH11357]; Office of Science of the U.S. Department
of Energy [DE-AC02-06CH11357, DE-AC02-05CH11231]
FX The authors acknowledge the use of the Center for Nanoscale Materials,
supported by the U.S. Department of Energy, Office of Science, Office of
Basic Energy Sciences, under Contract No. DE-AC02-06CH11357, for this
project. This research used resources of the National Energy Research
Scientific Computing Center, which is supported by the Office of Science
of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231,
and of the Argonne Leadership Computing Facility at Argonne National
Laboratory, which is supported by the Office of Science of the U.S.
Department of Energy under contract DE-AC02-06CH11357.
NR 63
TC 0
Z9 0
U1 17
U2 17
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0927-0256
EI 1879-0801
J9 COMP MATER SCI
JI Comput. Mater. Sci.
PD JAN
PY 2017
VL 126
BP 191
EP 203
DI 10.1016/j.commatsci.2016.09.030
PG 13
WC Materials Science, Multidisciplinary
SC Materials Science
GA ED7YZ
UT WOS:000389089900024
ER
PT J
AU Lacivita, V
D'Arco, P
Mustapha, S
Bernardes, DF
AF Lacivita, Valentina
D'Arco, Philippe
Mustapha, Sami
Bernardes, Daniel Faria
TI On the use of the symmetry-adapted Monte Carlo for an effective sampling
of large configuration spaces. The test cases of calcite structured
carbonates and melilites
SO COMPUTATIONAL MATERIALS SCIENCE
LA English
DT Article
DE Symmetry-adapted Monte Carlo; Symmetry; Calcite structure; Carbonate;
Soda-melilite; Solid solution; Disorder; Ab initio; Crystal
ID LATTICE CONSTANTS; SOLID-SOLUTION; PRINCIPLES; SIMULATION; DOLOMITE
AB The symmetry-adapted Monte Carlo sampling scheme is applied for the ab initio study of two mineral systems, namely the calcite structured compound Ca0.75Mg0.25CO3 and soda-melilite (Na,Ca)AlSi2O7. It is shown how an extensive use of symmetry, from the sampling of atomic configurations up to the quantum-mechanical calculation, makes feasible the investigation of large configuration spaces. As for the sampling, we describe an effective procedure to specifically target low-energy configurations on the potential energy surface of supercells of virtually any size. It is based on the suggestion that a correlation between symmetry and energy of the configurations exists according to which atomic distributions of minimum and maximum energy are likely to have some spatial symmetry. This hypothesis is verified empirically and leads to a significant alleviation of the original problem by virtue of the possibility of tailoring the symmetry-adapted Monte Carlo to select only symmetric configurations. The latter are also found to display a probability distribution similar to that of the entire set of configurations, thus providing, eventually, a suitable ab initio reference for the parameterization of model Hamiltonians. The most stable configuration so identified is used as pivot for the selection of new configurations having the same atomic distribution but for the exchange of a couple of atoms. These are called "neighbors" to highlight both their structural and energetic proximity to the pivot. We illustrate how, by collecting neighbors of configurations of increasing energy, the description of the system can be progressively and deterministically improved up to convergence of the calculated average properties, whatever the temperature. The same scheme works when moving to a supercell larger than the initial one (but of equivalent symmetry) since it is shown that stable structures remain so at any volume. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Lacivita, Valentina] UPMC Paris 06, Sorbonne Univ, Inst Calcul & Simulat, Paris, France.
[Lacivita, Valentina] Inst Sci Terre Paris, Paris, France.
[Lacivita, Valentina] Univ Turin, Dipartimento Chim, Turin, Italy.
[D'Arco, Philippe] UPMC Paris 06, Sorbonne Univ, Inst Sci Terre Paris, Paris, France.
[Mustapha, Sami] UPMC Paris 06, Sorbonne Univ, Inst Math Jussieu, Paris, France.
[Bernardes, Daniel Faria] Univ Paris 13, Sorbonne Paris Cite, Lab Traitement & Transport Informat, Villetaneuse, France.
[Lacivita, Valentina] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Lacivita, V (reprint author), UPMC Paris 06, Sorbonne Univ, Inst Calcul & Simulat, Paris, France.; Lacivita, V (reprint author), Inst Sci Terre Paris, Paris, France.; Lacivita, V (reprint author), Univ Turin, Dipartimento Chim, Turin, Italy.; Lacivita, V (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
EM vlacivita@lbl.gov
FU French National Research Agency (ANR), "Investissements d'Avenir"
program [ANR-11-LABX-0037-01, ANR-11-IDEX-0004-02]; Region Ile de
France; project Equip@Meso [ANR-10-EQPX-29-01]; DARI/GENCI
[t2014087244]; PRACE [2014102294]
FX This work, partially undertaken within the framework of CAL-SIMLAB, is
supported by the public grant ANR-11-LABX-0037-01 overseen by the French
National Research Agency (ANR) as part of the "Investissements d'Avenir"
program (reference: ANR-11-IDEX-0004-02). It was granted access to the
HPC resources of the Institute for scientific Computing and Simulation
financed by Region Ile de France and the project Equip@Meso (reference
ANR-10-EQPX-29-01). We also acknowledge DARI/GENCI (project t2014087244)
and PRACE (proposal 2014102294) for awarding us access to the HPC
resources Curie (at TGCC, France) and Hornet/Hazelhen (at HLRS,
Germany), respectively. We thank the reviewer for carefully reading our
manuscript and for giving us helpful suggestions.
NR 29
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U1 5
U2 5
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0927-0256
EI 1879-0801
J9 COMP MATER SCI
JI Comput. Mater. Sci.
PD JAN
PY 2017
VL 126
BP 217
EP 227
DI 10.1016/j.commatsci.2016.09.037
PG 11
WC Materials Science, Multidisciplinary
SC Materials Science
GA ED7YZ
UT WOS:000389089900026
ER
PT J
AU Karewar, S
Gupta, N
Groh, S
Martinez, E
Caro, A
Srinivasan, SG
AF Karewar, S.
Gupta, N.
Groh, S.
Martinez, E.
Caro, A.
Srinivasan, S. G.
TI Effect of Li on the deformation mechanisms of nanocrystalline hexagonal
close packed magnesium
SO COMPUTATIONAL MATERIALS SCIENCE
LA English
DT Article
DE Nanocrystalline deformations; Single crystal; Mg; Mg-Li alloys; Plastic
anisotropy; Dislocation; Twins
ID MOLECULAR-DYNAMICS SIMULATION; EMBEDDED-ATOM METHOD;
COMPUTER-SIMULATION; DISLOCATION CORES; STACKING-FAULT; PYRAMIDAL SLIP;
HCP METALS; C PLUS; MG; ALLOYS
AB Addition of solutes such as lithium enhances ductility of hexagonal-close-packed (hcp) magnesium (Mg). However, the atomistic underpinning of Li addition on individual deformation mechanisms remain unclear and is the focus of the present work. We compared the deformation mechanisms in nanocrystalline (NC) and single crystal simulation systems of pure Mg and Mg-Li hcp alloys. Five deformation modes are observed in the pure NC Mg with randomly oriented grains- one basal {0001} (11 (2) over bar0), one pyramidal type-I {10 (1) over bar1} (11 (2) over bar3), and three twinning slip systems {10 (1) over bar2} (10 (1) over bar1), {10 (1) over bar3} (30 (3) over bar2), and {10 (1) over bar1} (10 (1) over bar2). Distributing 10 at.% Li randomly to this NC Mg decreased its compressive yield strength by 14.5%. This also increases the ductility by activating non-basal deformation modes and by reducing the plastic anisotropy. We benchmarked these results by comparing the effect of Li addition on these deformation modes in Mg single crystals. Finally, we present a formability parameter (F-P) model based on unstable stacking fault energy, twin fault energy, and nucleation stress for dislocations (tau(NS)) Quantifying the changes in F-p values for the Mg-Li alloys with respect to pure Mg in single crystal simulations explain the decrease in compressive yield strength and change in deformation mechanisms with Li additions. A sensitivity analysis study, comparing our CD-EAM results with a MEAM potential, shows that the effects of Li on the single deformation mechanisms are potential independent. Lastly, while results for Mg-10 at.% Li random alloy are presented here, similar conclusions can be drawn for other compositions of this hcp Mg-Li alloy. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Karewar, S.] Delft Univ Technol, Dept Mat Sci & Engn, Delft, Netherlands.
[Gupta, N.; Srinivasan, S. G.] Univ North Texas, Dept Mat Sci & Engn, Denton, TX 76203 USA.
[Groh, S.] Univ Basel, Dept Biomed Engn, Basel, Switzerland.
[Martinez, E.; Caro, A.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM USA.
RP Srinivasan, SG (reprint author), Univ North Texas, Dept Mat Sci & Engn, Denton, TX 76203 USA.
EM srinivasan.srivilliputhur@unt.edu
OI Martinez Saez, Enrique/0000-0002-2690-2622
FU National Science Foundation [0846444]; UNT's Talon2 computing cluster;
MIRACLE Project at the University of Basel - Werner Siemens Foundation,
Zug/Switzerland; US Department of Energy (DOE) through the LANL/LDRD
Program
FX SVK and SGS acknowledge National Science Foundation Grant 0846444 and
UNT's Talon2 computing cluster. We acknowledge useful discussions with
Dr. L. Capolungo (GTL, France), Dr. J. Wang (LANL), Dr. I. Beyerlein
(LANL), Dr. C. Tome (LANL), and Dr. M.I. Baskes (LANL). SG aknowledges
the support of the MIRACLE Project at the University of Basel funded by
the Werner Siemens Foundation, Zug/Switzerland. EM gratefully
acknowledges the support of the US Department of Energy (DOE) through
the LANL/LDRD Program for this work.
NR 53
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U1 21
U2 21
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0927-0256
EI 1879-0801
J9 COMP MATER SCI
JI Comput. Mater. Sci.
PD JAN
PY 2017
VL 126
BP 252
EP 264
DI 10.1016/j.commatsci.2016.09.002
PG 13
WC Materials Science, Multidisciplinary
SC Materials Science
GA ED7YZ
UT WOS:000389089900030
ER
PT J
AU Moore, AP
Deo, C
Baskes, MI
Okuniewski, MA
McDowell, DL
AF Moore, A. P.
Deo, C.
Baskes, M. I.
Okuniewski, M. A.
McDowell, D. L.
TI Understanding the uncertainty of interatomic potentials' parameters and
formalism
SO COMPUTATIONAL MATERIALS SCIENCE
LA English
DT Article
DE Uncertainty; Sensitivity analyses; Atomistic modeling; bcc metals; MEAM
potential
ID EMBEDDED-ATOM-METHOD; AB-INITIO; METALS; IMPURITIES; SYSTEMS; PART
AB A sensitivity analysis of the modified embedded atom method (MEAM) potential for body-centered-cubic uranium and zirconium was performed in order to examine and understand the uncertainty in the parameters and formalism of the interatomic potential. The sensitivity analysis was conducted using one-at-a-time (OAT) sampling of the parameters and how they affected the ground state, thermal, and alloy structural and thermodynamic properties. The performed analysis was able to uncover the properties that can be easily varied or adjusted like the lattice constant, and the properties that had little variance like the heat capacity. The observed analysis on the ground state properties was found to correspond well with previously published results, after which the thermal and alloy properties were examined. A new method of categorizing changes in the alloy properties was developed that allows for the discrimination of bonding behaviors, determining if the strength of the bonding between atoms changed or if the manner in which they were bonded together changed. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Moore, A. P.; Deo, C.] Georgia Inst Technol, Nucl & Radiol Engn Program, George W Woodruff Sch Mech Engn, 770 State St, Atlanta, GA 30332 USA.
[Moore, A. P.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
[Baskes, M. I.] Mississippi State Univ, 105 Lee Blvd, Mississippi State, MS 39762 USA.
[Baskes, M. I.] Univ Calif San Diego, 9500 Gilman Dr, La Jolla, CA 92093 USA.
[Baskes, M. I.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
[Okuniewski, M. A.] Purdue Univ, 610 Purdue Mall, W Lafayette, IN 47907 USA.
[Okuniewski, M. A.] Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA.
[McDowell, D. L.] Georgia Inst Technol, George W Woodruff Sch Mech Engn, Mech Engn Program, 770 State St, Atlanta, GA 30332 USA.
RP Moore, AP (reprint author), Georgia Inst Technol, Nucl & Radiol Engn Program, George W Woodruff Sch Mech Engn, 770 State St, Atlanta, GA 30332 USA.
EM amoore31@gatech.edu
FU Idaho National Laboratory (INL); National Science Foundation-Domestic
Nuclear Detection Office (NSF-DNDO) Academic Research grant; Department
of Energy Nuclear Energy University Program (DOE-NEUP)
FX Authors acknowledge support from an Idaho National Laboratory (INL), a
National Science Foundation-Domestic Nuclear Detection Office (NSF-DNDO)
Academic Research grant, and from the Department of Energy Nuclear
Energy University Program (DOE-NEUP).
NR 44
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U1 7
U2 7
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0927-0256
EI 1879-0801
J9 COMP MATER SCI
JI Comput. Mater. Sci.
PD JAN
PY 2017
VL 126
BP 308
EP 320
DI 10.1016/j.commatsci.2016.09.041
PG 13
WC Materials Science, Multidisciplinary
SC Materials Science
GA ED7YZ
UT WOS:000389089900036
ER
PT J
AU Versino, D
Brock, JS
AF Versino, Daniele
Brock, Jerry S.
TI Benchmark solution of the dynamic response of a spherical shell at
finite strain
SO EUROPEAN JOURNAL OF MECHANICS A-SOLIDS
LA English
DT Article
DE Spherical shell; Dynamic analysis; Total Lagrangian; Finite strain;
Implicit Runge-Kutta
ID DIFFERENTIAL-ALGEBRAIC EQUATIONS; VISCOELASTICITY; EXPANSION; CAVITY
AB This paper describes the development of high fidelity solutions for the study of homogeneous (elastic and inelastic) spherical shells subject to dynamic loading and undergoing finite deformations. The goal of the activity is to provide high accuracy results that can be used as benchmark solutions for the verification of computational physics codes. The equilibrium equations for the geometrically non-linear problem are solved through mode expansion of the displacement field and the boundary conditions are enforced in a strong form. Time integration is performed through high-order implicit Runge-Kutta schemes. Accuracy and convergence of the proposed method are evaluated by means of numerical examples with finite deformations and material non-linearities and inelasticity. (C) 2016 Elsevier Masson SAS. All rights reserved.
C1 [Versino, Daniele] Los Alamos Natl Lab, Div Theoret, MS B216, Los Alamos, NM 87545 USA.
[Brock, Jerry S.] Los Alamos Natl Lab, Computat Phys, MS T087, Los Alamos, NM 87545 USA.
RP Versino, D (reprint author), Los Alamos Natl Lab, Div Theoret, MS B216, Los Alamos, NM 87545 USA.
EM daniele.versino@lanl.gov
OI versino, daniele/0000-0002-5451-5355
FU Advanced Simulation and Computing (ASC) Program
FX The authors gratefully acknowledge the support of this work by the
Advanced Simulation and Computing (ASC) Program.
NR 27
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U1 0
U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0997-7538
EI 1873-7285
J9 EUR J MECH A-SOLID
JI Eur. J. Mech. A-Solids
PD JAN-FEB
PY 2017
VL 61
BP 186
EP 197
DI 10.1016/j.euromechsol.2016.09.012
PG 12
WC Mechanics
SC Mechanics
GA ED8ED
UT WOS:000389103900016
ER
PT J
AU Arienti, M
Sussman, M
AF Arienti, Marco
Sussman, Mark
TI A numerical study of the thermal transient in high-pressure diesel
injection
SO INTERNATIONAL JOURNAL OF MULTIPHASE FLOW
LA English
DT Article
ID FLUID METHOD; LIQUID JET; SIMULATION; ATOMIZATION; MOMENT; SPRAYS; FLOW
AB A study of n-dodecane spray atomization, following the prescribed unseating of the injector's needle tip, is presented for a high-pressure, non-cavitating Bosch Diesel injector ("Spray A", in the Engine Combustion Network denomination). In the simulations discussed here, the internal and external multiphase flows are seamlessly calculated across the injection orifice using an interface-capturing approach for the liquid fuel surface together with an embedded boundary formulation for the injector's walls. Another novelty is the capability to model the compressibility of the liquid and the gas phase while maintaining a sharp interface between the two. This setting makes it possible to directly relate time-dependent spray characteristics to the moving internal geometry of the injector and to the exit thermodynamic state of the fuel. Using the Tait's equation of state calibrated for n-dodecane, we examine the differences in jet atomization between adiabatic and isothermal wall conditions. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Arienti, Marco] Sandia Natl Labs, 7011 East Ave, Livermore, CA 94550 USA.
[Sussman, Mark] Florida State Univ, Dept Math, 1017 Acad Way, Tallahassee, FL 32306 USA.
RP Arienti, M (reprint author), Sandia Natl Labs, 7011 East Ave, Livermore, CA 94550 USA.
EM marient@sandia.gov; sussman@math.fsu.edu
FU Sandia National Laboratories' LDRD (Laboratory Directed Research and
Development); U.S. Department of Energy's National Nuclear Security
Administration [DE-AC04-94AL85000]
FX Support by Sandia National Laboratories' LDRD (Laboratory Directed
Research and Development) is gratefully acknowledged. Sandia National
Laboratories is a multi-program laboratory managed and operated by
Sandia Corporation, a wholly owned subsidiary of Lockheed Martin
Corporation, for the U.S. Department of Energy's National Nuclear
Security Administration under contract DE-AC04-94AL85000.
NR 37
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U1 3
U2 3
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0301-9322
EI 1879-3533
J9 INT J MULTIPHAS FLOW
JI Int. J. Multiph. Flow
PD JAN
PY 2017
VL 88
BP 205
EP 221
DI 10.1016/j.ijmultiphaseflow.2016.09.017
PG 17
WC Mechanics
SC Mechanics
GA ED8FB
UT WOS:000389106300016
ER
PT J
AU Mourad, HM
Bronkhorst, CA
Livescu, V
Plohr, JN
Cerreta, EK
AF Mourad, H. M.
Bronkhorst, C. A.
Livescu, V.
Plohr, J. N.
Cerreta, E. K.
TI Modeling and simulation framework for dynamic strain localization in
elasto-viscoplastic metallic materials subject to large deformations
SO INTERNATIONAL JOURNAL OF PLASTICITY
LA English
DT Article
DE Adiabatic shear bands; Elastic-viscoplastic material; Finite strain;
Finite elements
ID EMBEDDED STRONG DISCONTINUITIES; AUSTENITIC STAINLESS-STEEL; SHEAR-BAND
PROPAGATION; FINITE-ELEMENTS; PLASTIC-DEFORMATION; INDUCED MARTENSITE;
MICROSTRUCTURAL EVOLUTION; CONSTITUTIVE-EQUATIONS; DISPLACEMENT JUMPS;
LOADING CONDITIONS
AB This paper describes a theoretical and computational framework for the treatment of adiabatic shear band formation in rate-sensitive polycrystalline metallic materials. From a computational perspective, accurate representation of strain localization behavior has been a long-standing challenge. In addition, the underlying physical mechanisms leading to the localization of plastic deformation are still not fully understood. The proposed framework is built around an enhanced-strain finite element formulation, designed to alleviate numerical pathologies known to arise in localization problems, by allowing a localization band of given finite width (weak discontinuity) to be embedded within individual elements. The mechanical threshold strength (MTS) model is used to represent the temperature and strain rate dependent viscoplastic response of the material. This classical flow stress model employs an internal state variable to quantify the effect of dislocation structure evolution (work hardening and recovery). In light of growing evidence suggesting that the softening effect of dynamic recrystallization may play a significant role, alongside thermal softening, in the process of shear band formation and growth, a simple dynamic recrystallization model is proposed and cast within the context of the MTS model with the aid of the aforementioned internal state variable. An initiation criterion for shear localization in rate and temperature sensitive materials is introduced and used in the present context of high-rate loading, where material rate-dependence is pronounced and substantial temperature increases are achieved due to the dissipative nature of viscoplastic processes. In addition, explicit time integration is adopted to facilitate treatment of the dynamic problems under consideration, where strain rates in excess of 10(4) s(-1) are typically attained. Two series of experiments are conducted on AISI 316L stainless steel, employing the commonly used top-hat sample geometry and the Split-Hopkinson Pressure Bar dynamic test system. Axi-symmetric finite element simulation results are compared to cross-sectional micrographs of recovered samples and experimental load displacement results, in order to examine the performance of the proposed framework and demonstrate its effectiveness in treating the initiation and growth of adiabatic shear banding in dynamically loaded metallic materials. These comparisons demonstrate that thermal softening alone is insufficient to induce shear localization behaviors observed in some materials, such as stainless steel, and support the hypothesis that dynamic recrystallization and/or other softening mechanisms play an essential role in this process. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Mourad, H. M.; Bronkhorst, C. A.; Plohr, J. N.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Livescu, V.; Cerreta, E. K.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
RP Mourad, HM (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM hmourad@lanl.gov
OI Bronkhorst, Curt/0000-0002-2709-1964; Mourad, Hashem/0000-0003-2621-3867
FU DoD/DOE Joint Munitions Technology Development Program; NNSA Advanced
Simulation and Computing Physics and Engineering Models (ASC-PEM)
program; NNSA Science Campaign 2-Dynamic Materials Properties;
Laboratory Directed Research and Development (LDRD) program at Los
Alamos National Laboratory
FX The authors wish to thank Dr. F. L Addessio and Dr. J. F. Bingert for
helpful discussions over the course of this work. We also wish to thank
E. K. Walker for help with sample preparation. This work was funded by
the DoD/DOE Joint Munitions Technology Development Program (Dr. T. A.
Mason program manager), the NNSA Advanced Simulation and Computing
Physics and Engineering Models (ASC-PEM) program (Dr. D. L Preston
project leader, Dr. M. W. Schraad program manager), the NNSA Science
Campaign 2-Dynamic Materials Properties (Dr. D. M. Dattelbaum program
manager), and the Laboratory Directed Research and Development (LDRD)
program at Los Alamos National Laboratory. This support is gratefully
acknowledged.
NR 81
TC 0
Z9 0
U1 29
U2 29
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0749-6419
EI 1879-2154
J9 INT J PLASTICITY
JI Int. J. Plast.
PD JAN
PY 2017
VL 88
BP 1
EP 26
DI 10.1016/j.ijplas.2016.09.009
PG 26
WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics
SC Engineering; Materials Science; Mechanics
GA ED8ER
UT WOS:000389105300001
ER
PT J
AU Dong, BX
Li, A
Strzalka, J
Stein, GE
Green, PF
AF Dong, Ban Xuan
Li, Anton
Strzalka, Joseph
Stein, Gila E.
Green, Peter F.
TI Molecular organization in MAPLE-deposited conjugated polymer thin films
and the implications for carrier transport characteristics
SO JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS
LA English
DT Article
DE conjugated polymers; ellipsometry; MAPLE; thin film transistor; X-ray
ID PULSED-LASER EVAPORATION; ORGANIC SOLAR-CELLS; CHARGE-TRANSPORT;
REGIOREGULAR POLY(3-HEXYLTHIOPHENE); AMORPHOUS-SILICON;
HIGH-PERFORMANCE; RIR-MAPLE; TRANSISTORS; MOBILITY; WEIGHT
AB The morphological structure of poly(3-hexylthiophene) (P3HT) thin films deposited by both Matrix Assisted Pulsed Laser Evaporation (MAPLE) and solution spin-casting methods are investigated. The MAPLE samples possessed a higher degree of disorder, with random orientations of polymer crystallites along the side-chain stacking, - stacking, and conjugated backbone directions. Moreover, the average molecular orientations and relative degrees of crystallinity of MAPLE-deposited polymer films are insensitive to the chemistries of the substrates onto which they were deposited; this is in stark contrast to the films prepared by the conventional spin-casting technique. Despite the seemingly unfavorable molecular orientations and the highly disordered morphologies, the in-plane charge carrier transport characteristics of the MAPLE samples are comparable to those of spin-cast samples, exhibiting similar transport activation energies (56 vs. 54 meV) to those reported in the literature for high mobility polymers. (c) 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2017, 55, 39-48
C1 [Dong, Ban Xuan; Li, Anton; Green, Peter F.] Univ Michigan, Biointerfaces Inst, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA.
[Strzalka, Joseph] Argonne Natl Lab, X Ray Sci Div, Argonne, IL 60439 USA.
[Stein, Gila E.] Univ Houston, Dept Chem & Biomol Engn, Houston, TX 77204 USA.
[Green, Peter F.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Green, PF (reprint author), Univ Michigan, Biointerfaces Inst, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA.; Green, PF (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM pfgreen@umich.edu
FU University of Michigan; Vietnam Education Foundation; National Science
Foundation (NSF), Division of Materials Research [DMR-1305749]; National
Science Foundation [DMR-1151468]; U.S. DOE [DE-AC02-06CH11357]
FX B.X.D acknowledges partial financial support from the University of
Michigan and Vietnam Education Foundation. We acknowledge partial
support from the National Science Foundation (NSF), Division of
Materials Research (DMR-1305749). The authors thank Saeed Ahmadi
Vaselabadi from Stein Group for compiling the GIWAXS raw detector
images. G.E.S. acknowledges financial support from the National Science
Foundation under Grant No. DMR-1151468. Use of the Advanced Photon
Source, an Office of Science User Facility operated for the U.S.
Department of Energy (DOE) by Argonne National Laboratory, was supported
by the U.S. DOE under Contract No. DE-AC02-06CH11357.
NR 58
TC 0
Z9 0
U1 8
U2 8
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0887-6266
EI 1099-0488
J9 J POLYM SCI POL PHYS
JI J. Polym. Sci. Pt. B-Polym. Phys.
PD JAN
PY 2017
VL 55
IS 1
BP 39
EP 48
DI 10.1002/polb.24237
PG 10
WC Polymer Science
SC Polymer Science
GA ED1MB
UT WOS:000388608500004
ER
PT J
AU Kannan, AG
Samuthirapandian, A
Kim, DW
AF Kannan, Aravindaraj G.
Samuthirapandian, Amaresh
Kim, Dong-Won
TI Electric double layer capacitors employing nitrogen and sulfur co-doped,
hierarchically porous graphene electrodes with synergistically enhanced
performance
SO JOURNAL OF POWER SOURCES
LA English
DT Article
DE Graphene; Electric double layer capacitor; Co-doping; Cycle performance;
Energy storage
ID CARBON-BASED SUPERCAPACITORS; ORGANIC ELECTROLYTE; ENERGY-STORAGE;
ELECTROCHEMICAL CAPACITORS; OXYGEN REDUCTION; SURFACE-AREA; PHOSPHORUS;
OXIDE; CONSTRUCTION; DENSITY
AB Hierarchically porous graphene nanosheets co-doped with nitrogen and sulfur are synthesized via a simple hydrothermal method, followed by a pore activation step. Pore architectures are controlled by varying the ratio of chemical activation agents to graphene, and its influence on the capacitive performance is evaluated. The electric double layer capacitor (EDLC) assembled with optimized dual-doped graphene delivers a high specific capacitance of 146.6 F g(-1) at a current density of 0.8 A g(-1), which is higher than that of cells with un-doped and single-heteroatom doped graphene. The EDLC with dual doped graphene electrodes exhibits stable cycling performance with a capacitance retention of 94.5% after 25,000 cycles at a current density of 3.2 A g(-1). Such a good performance can be attributed to synergistic effects due to co-doping of the graphene nanosheets and the presence of hierarchical porous structures. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Kannan, Aravindaraj G.; Kim, Dong-Won] Hanyang Univ, Dept Chem Engn, Seoul 04763, South Korea.
[Samuthirapandian, Amaresh] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
RP Kim, DW (reprint author), Hanyang Univ, Dept Chem Engn, Seoul 04763, South Korea.
EM dongwonkim@hanyang.ac.kr
FU Industrial Promotion Program of Economic Cooperation Area of MOTIE/KIAT
[R0004005]; National Research Foundation of Korea (NRF) grant - Korea
goverment (Ministry of Science, ICT and Future Planning)
[2016R1A4A1012224]
FX This work was supported by the Industrial Promotion Program of Economic
Cooperation Area of MOTIE/KIAT [R0004005] and the National Research
Foundation of Korea (NRF) grant funded by the Korea goverment (Ministry
of Science, ICT and Future Planning) (No. 2016R1A4A1012224).
NR 44
TC 0
Z9 0
U1 69
U2 69
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0378-7753
EI 1873-2755
J9 J POWER SOURCES
JI J. Power Sources
PD JAN 1
PY 2017
VL 337
BP 65
EP 72
DI 10.1016/j.jpowsour.2016.10.109
PG 8
WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials
Science, Multidisciplinary
SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science
GA ED8CI
UT WOS:000389099100008
ER
PT J
AU Papandrew, AB
Elgammal, RA
Tian, M
Tennyson, WD
Rouleau, CM
Puretzky, AA
Veith, GM
Geohegan, DB
Zawodzinski, TA
AF Papandrew, Alexander B.
Elgammal, Ramez A.
Tian, Mengkun
Tennyson, Wesley D.
Rouleau, Christopher M.
Puretzky, Alexander A.
Veith, Gabriel M.
Geohegan, David B.
Zawodzinski, Thomas A.
TI Nanostructured carbon electrocatalyst supports for intermediate
temperature fuel cells: Single-walled versus multi-walled structures
SO JOURNAL OF POWER SOURCES
LA English
DT Article
DE CsH2PO4; Carbon nanotubes; Carbon nanohorns; Fuel cells
ID PHOSPHORIC-ACID; HYDROGEN OXIDATION; LASER VAPORIZATION; CATALYST
SUPPORT; NANOTUBES; CORROSION; ELECTROLYTE; NANOHORNS; CATHODES;
BEHAVIOR
AB It is unknown if nanostructured carbons possess the requisite electrochemical stability to be used as catalyst supports in the cathode of intermediate-temperature solid acid fuel cells (SAFCs) based on the CsH2PO4 electrolyte. To investigate this application, single-walled carbon nanohorns (SWNHs) and multi walled carbon nanotubes (MWNT5) were used as supports for Pt catalysts in SAFCs operating at 250 degrees C. SWNH-based cathodes display greater maximum activity than their MWNT-based counterparts at a cell voltage of 0.8 V, but are unstable in the SAFC cathode as a consequence of electrochemical carbon corrosion. MWNT-based cells are resistant to this effect and capable of operation for at least 160 h at 0.6 V and 250 degrees C. Cells fabricated with nanostructured carbon supports are more active (52 mA cm(-1) vs. 28 mA cm(-1) at 0.8 V) than state-of-the-art carbon-free formulations while simultaneously displaying enhanced Pt utilization (40 mA mg(pt)(-1) vs. 16 mA mg(pt)(-1) at 0.8 V). These results suggest that MWNTs are a viable support material for developing stable, high-performance, low-cost air electrodes for solid-state electrochemical devices operating above 230 degrees C. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Papandrew, Alexander B.; Elgammal, Ramez A.; Tian, Mengkun; Zawodzinski, Thomas A.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
[Tennyson, Wesley D.; Veith, Gabriel M.; Zawodzinski, Thomas A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Rouleau, Christopher M.; Puretzky, Alexander A.; Geohegan, David B.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Papandrew, AB (reprint author), Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
EM apapandrew@utk.edu
OI tian, mengkun/0000-0003-2790-7799; Tennyson, Wesley/0000-0002-4355-3639
FU ARPA-E [DE-AR0000499]
FX This work is supported by ARPA-E under Cooperative Agreement Number
DE-AR0000499. SWNH synthesis and Raman spectroscopy were conducted at
the Center for Nanophase Materials Sciences, a Department of Energy
Office of Science User Facility. We thank Beth Armstrong for assistance
with surface area measurements.
NR 51
TC 0
Z9 0
U1 19
U2 19
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0378-7753
EI 1873-2755
J9 J POWER SOURCES
JI J. Power Sources
PD JAN 1
PY 2017
VL 337
BP 145
EP 151
DI 10.1016/j.jpowsour.2016.10.093
PG 7
WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials
Science, Multidisciplinary
SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science
GA ED8CI
UT WOS:000389099100018
ER
PT J
AU Schmalzer, AM
Cady, CM
Geller, D
Ortiz-Acosta, D
Zocco, AT
Stull, J
Labouriau, A
AF Schmalzer, Andrew M.
Cady, Carl M.
Geller, Drew
Ortiz-Acosta, Denisse
Zocco, Adam T.
Stull, Jamie
Labouriau, Andrea
TI Gamma radiation effects on siloxane-based additive manufactured
structures
SO RADIATION PHYSICS AND CHEMISTRY
LA English
DT Article
DE Radiolysis; DON resin; Additive manufacturing; Polysiloxanes
ID THERMAL-DEGRADATION; POLY(DIMETHYL SILOXANE); IRRADIATED
POLYDIMETHYLSILOXANES; CROSS-LINKING; RUBBER; POLYSILOXANES; NETWORKS;
PHENYL; CRYSTALLIZATION; ELASTICITY
AB Siloxane-basedadditive manufactured structures prepared by the direct ink write (DIW) technology were exposed to ionizing irradiation in order to gauge radiolysis effects on structure-property relationships. These well-defined 3-D structures were subjected to moderate doses of gamma irradiation in an inert atmosphere and characterized by a suite of experimental methods. Changes in thermal, chemical, microstructure, and mechanical properties were evaluated by DSC, TGA, FT-IR, mass spectroscopy, EPR, solvent swelling, SEM, and uniaxial compressive load techniques. Our results demonstrated that 3-D structures made from aromatic-free siloxane resins exhibited hardening after being exposed to gamma radiation. This effect was accompanied by gas evolution, decreasing in crystallization levels, decreasing in solvent swelling and damage to the microstructure. Furthermore, long-lived radiation-induced radicals were not detected by EPR methods. Our results are consistent with cross-link formation being the dominant degradation mechanism over chain scission reactions. On the other hand, 3-D structures made from high phenyl content siloxane resins showed little radiation damage as evidenced by low off gassing. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Schmalzer, Andrew M.; Cady, Carl M.; Geller, Drew; Ortiz-Acosta, Denisse; Zocco, Adam T.; Stull, Jamie; Labouriau, Andrea] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Labouriau, A (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM andrea@lanl.gov
OI Geller, Drew/0000-0001-8046-8495; Labouriau, Andrea/0000-0001-8033-9132
FU Dynamic Materials Properties campaign under the US Department of
Energy's National Nuclear Security Administration [DE-AC52-06NA25396];
Enhanced Surveillance campaign under the US Department of Energy's
National Nuclear Security Administration [DE-AC52-06NA25396]
FX Tom Robinson and Stephanie Schulze from the National Security Campus in
Kansas City, MO are thanked for providing the SE1700 AM pads. Don Hanson
and Maryla Wasiolek from Sandia National Laboratory in Albuquerque, NM
are thanked for their help with exposing the samples to gamma
irradiation. We thank the Dynamic Materials Properties and the Enhanced
Surveillance campaigns for proving financial support, under the US
Department of Energy's National Nuclear Security Administration contract
DE-AC52-06NA25396.
NR 33
TC 0
Z9 0
U1 9
U2 9
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0969-806X
J9 RADIAT PHYS CHEM
JI Radiat. Phys. Chem.
PD JAN
PY 2017
VL 130
BP 103
EP 111
DI 10.1016/j.radphyschem.2016.07.020
PG 9
WC Chemistry, Physical; Nuclear Science & Technology; Physics, Atomic,
Molecular & Chemical
SC Chemistry; Nuclear Science & Technology; Physics
GA ED3VS
UT WOS:000388777200016
ER
PT J
AU Oerter, EJ
Perelet, A
Pardyjak, E
Bowen, G
AF Oerter, Erik J.
Perelet, Alexei
Pardyjak, Eric
Bowen, Gabriel
TI Membrane inlet laser spectroscopy to measure H and O stable isotope
compositions of soil and sediment pore water with high sample throughput
SO RAPID COMMUNICATIONS IN MASS SPECTROMETRY
LA English
DT Article
ID VACUUM EXTRACTION; PLANT WATER; EQUILIBRATION; SPECTROMETRY; DELTA-O-18;
HYDROGEN; OXYGEN; O-18; PRECIPITATION; CLIMATE
AB RATIONALE: The fast and accurate measurement of H and O stable isotope compositions (delta H-2 and delta O-18 values) of soil and sediment pore water remains an impediment to scaling-up the application of these isotopes in soil and vadose hydrology. Here we describe a method and its calibration to measuring soil and sediment pore water delta H-2 and delta O-18 values using a water vapor-permeable probe coupled to an isotope ratio infrared spectroscopy analyzer.
METHODS: We compare the water vapor probe method with a vapor direct equilibration method, and vacuum extraction with liquid water analysis. At a series of four study sites in a managed desert agroecosystem in the eastern Great Basin of North America, we use the water vapor probe to measure soil depth profiles of delta H-2 and delta O-18 values.
RESULTS: We demonstrate the accuracy of the method to be equivalent to direct headspace equilibration and vacuum extraction techniques, with increased ease of use in its application, and with analysis throughput rates greater than 7 h(-1). The soil depth H and O stable isotope profiles show that soil properties such as contrasting soil texture and pedogenic soil horizons control the shape of the isotope profiles, which are reflective of local evaporation conditions within the soils.
CONCLUSIONS: We conclude that this water vapor probe method has potential to yield large numbers of H and O stable isotope analyses of soil and sediment waters within shorter timeframes and with increased ease than with currently existing methods. Copyright (C) 2016 John Wiley & Sons, Ltd.
C1 [Oerter, Erik J.; Bowen, Gabriel] Univ Utah, Dept Geol & Geophys, 115 South 1460 East, Salt Lake City, UT 84112 USA.
[Perelet, Alexei; Pardyjak, Eric] Univ Utah, Dept Mech Engn, 100 South 1495 East, Salt Lake City, UT 84112 USA.
[Oerter, Erik J.; Pardyjak, Eric; Bowen, Gabriel] Univ Utah, Global Change & Sustainabil Ctr, 257 South 1400 East, Salt Lake City, UT 84112 USA.
[Oerter, Erik J.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
RP Oerter, EJ (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
EM erikjoerter@gmail.com
OI Oerter, Erik/0000-0001-8816-1754
FU NSF EPSCoR grant [IIA 1208732]
FX We gratefully appreciate the access provided by Charles Gilmore to his
property. This paper was improved by the comments of several anonymous
reviewers. All data is publicly available on line from the iUTAH
Modeling and Data Federation at data.iutahepscor.org/mdf. This research
was supported by NSF EPSCoR grant IIA 1208732 awarded to Utah State
University as part of the State of Utah Research Infrastructure
Improvement Award.
NR 45
TC 0
Z9 0
U1 14
U2 14
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0951-4198
EI 1097-0231
J9 RAPID COMMUN MASS SP
JI Rapid Commun. Mass Spectrom.
PD JAN
PY 2017
VL 31
IS 1
BP 75
EP 84
DI 10.1002/rcm.7768
PG 10
WC Biochemical Research Methods; Chemistry, Analytical; Spectroscopy
SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy
GA ED1JK
UT WOS:000388601300014
PM 27766702
ER
PT J
AU Nitzsche, KN
Kalettka, T
Premke, K
Lischeid, G
Gessler, A
Kayler, ZE
AF Nitzsche, Kai Nils
Kalettka, Thomas
Premke, Katrin
Lischeid, Gunnar
Gessler, Arthur
Kayler, Zachary Eric
TI Land-use and hydroperiod affect kettle hole sediment carbon and nitrogen
biogeochemistry
SO SCIENCE OF THE TOTAL ENVIRONMENT
LA English
DT Article
DE Depressional wetlands; Wet-dry cycles; Biogeochemical transformations;
Stable isotopes; Evaporation; landscape functioning
ID ORGANIC-MATTER; ISOTOPE COMPOSITION; NORTHEAST GERMANY; WATER-BALANCE;
C/N RATIOS; LAKE; LANDSCAPE; WETLAND; PRESERVATION; EVAPORATION
AB Kettle holes are glaciofluvially created depressional wetlands that collect organic matter (OM) and nutrients from their surrounding catchment. Kettle holes mostly undergo pronounced wet-dry cycles. Fluctuations in water table, land-use, and management can affect sediment biogeochemical transformations and perhaps threaten the carbon stocks of these unique ecosystems. We investigated sediment and water of 51 kettle holes in NE Germany that differ in hydroperiod (i.e. the duration of the wet period of a kettle hole) and land-use. Our objectives were 1) to test if hydroperiod and land management were imprinted on the isotopic values (delta C-13, delta N-15) and C:N ratios of the sediment OM, and 2) to characterize water loss dynamics and kettle hole-groundwater connectivity by measuring the stable 6150 and BD isotope values of kettle hole water over several years. We found the uppermost sediment layer reflected recent OM inputs and short-term processes in the catchment, including land-use and management effects. Deeper sediments recorded the degree to which OM is processed within the kettle hole related to the hydroperiod. We see clear indications for the effects of wet-dry cycles for all kettle holes, which can lead to the encroachment of terrestrial plants. We found that the magnitude of evaporation depended on the year, season, and land-use type, that kettle holes are temporarily coupled to shallow ground water, and, as such, kettle holes are described best as partially-closed to open systems. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Nitzsche, Kai Nils; Premke, Katrin; Gessler, Arthur; Kayler, Zachary Eric] Leibniz Ctr Agr Landscape Res ZALF, Inst Landscape Biogeochem, Eberswalder Str 84, D-15374 Muencheberg, Germany.
[Kalettka, Thomas; Lischeid, Gunnar] Leibniz Ctr Agr Landscape Res ZALF, Inst Landscape Hydrol, Eberswalder Str 84, D-15374 Muencheberg, Germany.
[Premke, Katrin] Leibniz Inst Freshwater Ecol & Inland Fisheries, Chem Analyt & Biogeochem, Mueggelseedamm 310, D-12587 Berlin, Germany.
[Lischeid, Gunnar] Univ Potsdam, Inst Earth & Environm Sci, Karl Liebknecht Str 24-25, D-14476 Potsdam, Germany.
[Gessler, Arthur] Swiss Fed Inst Forest Snow & Landscape Res WSL, Zuercherstr 111, CH-8903 Birmensdorf, Switzerland.
[Gessler, Arthur; Kayler, Zachary Eric] Berlin Brandenburg Inst Adv Biodivers Res BBIB, D-14195 Berlin, Germany.
[Kayler, Zachary Eric] USDA Forest Serv, Northern Res Stn, Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Nitzsche, KN; Kayler, ZE (reprint author), Leibniz Ctr Agr Landscape Res ZALF, Inst Landscape Biogeochem, Eberswalder Str 84, D-15374 Muencheberg, Germany.; Kayler, ZE (reprint author), USDA Forest Serv, Northern Res Stn, Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
EM kai.nitzsche@zalf.de; tkalettka@zalf.de; premke@igb-berlin.de;
gessler@wsl.ch; zkayler@fs.fed.us
RI Gessler, Arthur/C-7121-2008
OI Gessler, Arthur/0000-0002-1910-9589
FU Pact for Innovation and Research of the Gottfried Wilhelm Leibniz
Association (project LandScales - 'Connecting processes and structures
driving landscape carbon dynamics over scales')
FX We thank the staff of the AgroScapeLab Qillow, Dedelow, for the
logistical support and Frau Remus and Thomas Wagner for their help with
the sample preparation. We kindly thank the LandScales team, especially
Dr. Andreas Kleeberg, for their support and discussions. This research
was funded through the Pact for Innovation and Research of the Gottfried
Wilhelm Leibniz Association (project LandScales - 'Connecting processes
and structures driving landscape carbon dynamics over scales').
NR 59
TC 0
Z9 0
U1 25
U2 25
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0048-9697
EI 1879-1026
J9 SCI TOTAL ENVIRON
JI Sci. Total Environ.
PD JAN 1
PY 2017
VL 574
BP 46
EP 56
DI 10.1016/jscitotenv.2016.09.003
PG 11
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA ED7ZA
UT WOS:000389090100005
PM 27623526
ER
PT J
AU Huang, L
Ernstoff, A
Fantke, P
Csiszar, SA
Jolliet, O
AF Huang, Lei
Ernstoff, Alexi
Fantke, Peter
Csiszar, Susan A.
Jolliet, Olivier
TI A review of models for near-field exposure pathways of chemicals in
consumer products
SO SCIENCE OF THE TOTAL ENVIRONMENT
LA English
DT Review
DE Human exposure models; High-throughput risk screening; Life cycle impact
assessment; Mass transfer fractions; Consumer products; Indoor
environment
ID SEMIVOLATILE ORGANIC-COMPOUNDS; DRY BUILDING-MATERIALS; MASS-TRANSFER
MODEL; NONDIETARY INGESTION EXPOSURE; PREDICTING SKIN PERMEABILITY;
POLYVINYL-CHLORIDE PRODUCTS; CYCLE IMPACT ASSESSMENT; PERSONAL CARE
PRODUCTS; AIR-POLLUTANT EXPOSURE; IN-VITRO BIOACTIVITY
AB Exposure to chemicals in consumer products has been gaining increasing attention, with multiple studies showing that near-field exposures from products is high compared to far-field exposures. Regarding the numerous chemical-product combinations, there is a need for an overarching review of models able to quantify the multiple transfers of chemicals from products used near-field to humans. The present review therefore aims at an in-depth overview of modeling approaches for near-field chemical release and human exposure pathways associated with consumer products. It focuses on lower-tier, mechanistic models suitable for life cycle assessments (LCA), chemical alternative assessment (CAA) and high-throughput screening risk assessment (HTS). Chemicals in a product enter the near-field via a defined "compartment of entry", are transformed or transferred to adjacent compartments, and eventually end in a "human receptor compartment". We first focus on models of physical mass transfers from the product to 'near-field' compartments. For transfers of chemicals from article interior, adequate modeling of in-article diffusion and of partitioning between article surface and air/skin/food is key. Modeling volatilization and subsequent transfer to the outdoor is crucial for transfers of chemicals used in the inner space of appliances, on object surfaces or directly emitted to indoor air. For transfers from skin surface, models need to reflect the competition between dermal permeation, volatilization and fraction washed-off. We then focus on transfers from the 'near-field' to 'human' compartments, defined as respiratory tract, gastrointestinal tract and epidermis, for which good estimates of air concentrations, non-dietary ingestion parameters and skin permeation are essential, respectively. We critically characterize for each exposure pathway the ability of models to estimate near-field transfers and to best inform LCA, CAA and HTS, summarizing the main characteristics of the potentially best-suited models. This review identifies large knowledge gaps for several near-field pathways and suggests research needs and future directions. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Huang, Lei; Jolliet, Olivier] Univ Michigan, Sch Publ Hlth, Environm Hlth Sci & Risk Sci Ctr, Ann Arbor, MI 48109 USA.
[Ernstoff, Alexi; Fantke, Peter] Tech Univ Denmark, Quantitat Sustainabil Assessment Div, Dept Engn Management, DK-2808 Lyngby, Denmark.
[Csiszar, Susan A.] US EPA, Oak Ridge Inst Sci & Educ Res Participant, Natl Risk Management Res Lab, Cincinnati, OH 45268 USA.
RP Huang, L (reprint author), Univ Michigan, Sch Publ Hlth, Environm Hlth Sci & Risk Sci Ctr, Ann Arbor, MI 48109 USA.
EM huanglei@umich.edu
OI Fantke, Peter/0000-0001-7148-6982; Ernstoff, Alexi/0000-0002-1114-6596
FU US EPA [EP-14-C-000115]; Marie Curie project Quan-Tox - European
Commission under the Seventh Framework Programme [631910]; U.S.
Department of Energy [DW-89-92298301]; U.S. Environmental Protection
Agency [DW-89-92298301]
FX Funding for this research was provided by US EPA contract EP-14-C-000115
on Development of Modular Risk Pathway Descriptions for Life Cycle
Assessment and by the Marie Curie project Quan-Tox (grant agreement no.
631910) funded by the European Commission under the Seventh Framework
Programme. This research was supported in part by an appointment of S.
Csiszar to the Postdoctoral Research Program at the National Risk
Management Research Laboratory, U.S. EPA administered by the Oak Ridge
Institute for Science and Education through Interagency Agreement No.
DW-89-92298301 between the U.S. Department of Energy and the U.S.
Environmental Protection Agency.
NR 182
TC 1
Z9 1
U1 19
U2 19
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0048-9697
EI 1879-1026
J9 SCI TOTAL ENVIRON
JI Sci. Total Environ.
PD JAN 1
PY 2017
VL 574
BP 1182
EP 1208
DI 10.1016/j.scitotenv.2016.06.118
PG 27
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA ED7ZA
UT WOS:000389090100110
PM 27644856
ER
PT J
AU Bhattacharya, S
Charonko, JJ
Vlachos, PP
AF Bhattacharya, Sayantan
Charonko, John J.
Vlachos, Pavlos P.
TI Stereo-particle image velocimetry uncertainty quantification
SO MEASUREMENT SCIENCE AND TECHNOLOGY
LA English
DT Article
DE particle image velocimetry; PIV; stereo-PIV; uncertainty
ID SPATIAL-RESOLUTION; SELF-CALIBRATION; WIND-TUNNEL; PIV; ACCURACY
AB Particle image velocimetry (PIV) measurements are subject to multiple elemental error sources and thus estimating overall measurement uncertainty is challenging. Recent advances have led to a posteriori uncertainty estimation methods for planar two-component PIV. However, no complete methodology exists for uncertainty quantification in stereo PIV. In the current work, a comprehensive framework is presented to quantify the uncertainty stemming from stereo registration error and combine it with the underlying planar velocity uncertainties. The disparity in particle locations of the dewarped images is used to estimate the positional uncertainty of the world coordinate system, which is then propagated to the uncertainty in the calibration mapping function coefficients. Next, the calibration uncertainty is combined with the planar uncertainty fields of the individual cameras through an uncertainty propagation equation and uncertainty estimates are obtained for all three velocity components. The methodology was tested with synthetic stereo PIV data for different light sheet thicknesses, with and without registration error, and also validated with an experimental vortex ring case from 2014 PIV challenge. Thorough sensitivity analysis was performed to assess the relative impact of the various parameters to the overall uncertainty. The results suggest that in absence of any disparity, the stereo PIV uncertainty prediction method is more sensitive to the planar uncertainty estimates than to the angle uncertainty, although the latter is not negligible for non-zero disparity. Overall the presented uncertainty quantification framework showed excellent agreement between the error and uncertainty RMS values for both the synthetic and the experimental data and demonstrated reliable uncertainty prediction coverage. This stereo PIV uncertainty quantification framework provides the first comprehensive treatment on the subject and potentially lays foundations applicable to volumetric PIV measurements.
C1 [Bhattacharya, Sayantan; Vlachos, Pavlos P.] Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA.
[Charonko, John J.] Los Alamos Natl Lab, Div Phys, Los Alamos, NM USA.
RP Vlachos, PP (reprint author), Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA.
EM pvlachos@purdue.edu
OI Charonko, John/0000-0002-0396-9672
FU National Science Foundation [PoLS-1205642, CBET-1336038, IDBR-1152304]
FX This research was partially supported by the National Science Foundation
(PoLS-1205642, CBET-1336038, and IDBR-1152304).
NR 28
TC 0
Z9 0
U1 7
U2 7
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0957-0233
EI 1361-6501
J9 MEAS SCI TECHNOL
JI Meas. Sci. Technol.
PD JAN
PY 2017
VL 28
IS 1
AR 015301
DI 10.1088/1361-6501/28/1/015301
PG 17
WC Engineering, Multidisciplinary; Instruments & Instrumentation
SC Engineering; Instruments & Instrumentation
GA ED1AC
UT WOS:000388574800025
ER
PT J
AU Zhong, C
Han, J
Borowsky, A
Parvin, B
Wang, YF
Chang, H
AF Zhong, Cheng
Han, Ju
Borowsky, Alexander
Parvin, Bahram
Wang, Yunfu
Chang, Hang
TI When machine vision meets histology: A comparative evaluation of model
architecture for classification of histology sections
SO MEDICAL IMAGE ANALYSIS
LA English
DT Article
DE Computational histopathology; Classification; Unsupervised feature
learning; Sparse feature encoder
ID MULTIPLEXED IMMUNOHISTOCHEMISTRY; DIMENSIONALITY REDUCTION; LAPLACIAN
EIGENMAPS; OBJECT RECOGNITION; CANCER PATIENTS; BREAST-CANCER;
TUMOR-STROMA; MULTIFORME; VALIDATION
AB Classification of histology sections in large cohorts, in terms of distinct regions of microanatomy (e.g., stromal) and histopathology (e.g., tumor, necrosis), enables the quantification of tumor composition, and the construction of predictive models of genomics and clinical outcome. To tackle the large technical variations and biological heterogeneities, which are intrinsic in large cohorts, emerging systems utilize either prior knowledge from pathologists or unsupervised feature learning for invariant representation of the underlying properties in the data. However, to a large degree, the architecture for tissue histology classification remains unexplored and requires urgent systematical investigation. This paper is the first attempt to provide insights into three fundamental questions in tissue histology classification: I. Is unsupervised feature learning preferable to human engineered features? II. Does cellular saliency help? III. Does the sparse feature encoder contribute to recognition? We show that (a) in I, both Cellular Morphometric Feature and features from unsupervised feature learning lead to superior performance when compared to SIFT and [Color, Texture]; (b) in II, cellular saliency incorporation impairs the performance for systems built upon pixel-/patch-level features; and (c) in III, the effect of the sparse feature encoder is correlated with the robustness of features, and the performance can be consistently improved by the multi-stage extension of systems built upon both Cellular Morphmetric Feature and features from unsupervised feature learning. These insights are validated with two cohorts of Glioblastoma Multiforme (GBM) and Kidney Clear Cell Carcinoma (KIRC). (C) 2016 Elsevier B.V. All rights reserved.
C1 [Zhong, Cheng; Han, Ju; Wang, Yunfu; Chang, Hang] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Parvin, Bahram] Univ Nevada, Dept Elect & Biomed Engn, Reno, NV 89557 USA.
[Borowsky, Alexander] Univ Calif Davis, Ctr Comparat Med, Davis, CA 95616 USA.
[Wang, Yunfu] Hubei Univ Med, Dept Neurol, Taihe Hosp, Shiyan, Hubei, Peoples R China.
RP Chang, H (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.; Wang, YF (reprint author), Hubei Univ Med, Dept Neurol, Taihe Hosp, Shiyan, Hubei, Peoples R China.
EM hchang@lbl.gov
FU NIH at Lawrence Berkeley National Laboratory [R01 CA184476]
FX This work was supported by NIH R01 CA184476 (H.C) carried out at
Lawrence Berkeley National Laboratory.
NR 50
TC 0
Z9 0
U1 10
U2 10
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1361-8415
EI 1361-8423
J9 MED IMAGE ANAL
JI Med. Image Anal.
PD JAN
PY 2017
VL 35
BP 530
EP 543
DI 10.1016/j.media.2016.08.010
PG 14
WC Computer Science, Artificial Intelligence; Computer Science,
Interdisciplinary Applications; Engineering, Biomedical; Radiology,
Nuclear Medicine & Medical Imaging
SC Computer Science; Engineering; Radiology, Nuclear Medicine & Medical
Imaging
GA EC6LT
UT WOS:000388248300038
PM 27644083
ER
PT J
AU Bonfiglio, D
Veranda, M
Cappello, S
Chacon, L
Escande, DF
AF Bonfiglio, D.
Veranda, M.
Cappello, S.
Chacon, L.
Escande, D. F.
TI Sawtooth mitigation in 3D MHD tokamak modelling with applied magnetic
perturbations
SO PLASMA PHYSICS AND CONTROLLED FUSION
LA English
DT Article
DE helical self-organization; applied magnetic perturbations; nonlinear 3D
MHD modelling
ID REVERSED-FIELD PINCH; INTERNAL KINK MODES; DIII-D PLASMAS; SINGLE
HELICITY; STABILITY; AMPLIFICATION; MECHANISM; WALL; SIMULATION;
PARADIGM
AB The effect of magnetic perturbations (MPs) on the sawtoothing dynamics of the internal kink mode in the tokamak is discussed in the framework of nonlinear 3D MHD modelling. Numerical simulations are performed with the pixie3d code (Chacon 2008 Phys. Plasmas 15 056103) based on a D-shaped configuration in toroidal geometry. MPs are applied as produced by two sets of coils distributed along the toroidal direction, one set located above and the other set below the outboard midplane, like in experimental devices such as DIII-D and ASDEX Upgrade. The capability of n = 1 MPs to affect quasi-periodic sawteeth is shown to depend on the toroidal phase difference Delta phi between the perturbations produced by the two sets of coils. In particular, sawtooth mitigation is obtained for the Delta phi = pi phasing, whereas no significant effect is observed for Delta phi = 0. Numerical findings are explained by the interplay between different poloidal harmonics in the spectrum of applied MPs, and appear to be consistent with experiments performed in the DIII-D device. Sawtooth mitigation and stimulation of self-organized helical states by applied MPs have been previously demonstrated in both circular tokamak and reversed-field pinch (RFP) experiments in the RFX-mod device, and in related 3D MHD modelling.
C1 [Bonfiglio, D.; Veranda, M.; Cappello, S.; Escande, D. F.] Univ Padua, Consorzio RFX, CNR, ENEA,INFN,Acciaierie Venete SpA, Corso Stati Uniti 4, I-35127 Padua, Italy.
[Chacon, L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Escande, D. F.] Aix Marseille Univ, CNRS, PIIM, UMR 7345, F-13013 Marseille, France.
RP Bonfiglio, D (reprint author), Univ Padua, Consorzio RFX, CNR, ENEA,INFN,Acciaierie Venete SpA, Corso Stati Uniti 4, I-35127 Padua, Italy.
EM daniele.bonfiglio@igi.cnr.it
RI Cappello, Susanna/H-9968-2013
OI Cappello, Susanna/0000-0002-2022-1113
FU European Union's Horizon research and innovation programme [633053]
FX One of the authors (DB) would like to thank P Piovesan for useful
discussions, and D Borgogno, D Grasso and G Rubino for their support in
the preparation of the invited talk 'Connections between RFP, Tokamak
and Stellarator physics as highlighted in 3D nonlinear MHD modelling'
given at the 43rd EPS Conference on Plasma Physics, Leuven, 4-8 July
2016. This work was carried out using the HELIOS super-computer system
at Computational Simulation Centre of International Fusion Energy
Research Centre (IFERC-CSC), Aomori, Japan, under the Broader Approach
collaboration between Euratom and Japan, implemented by Fusion for
Energy and JAEA. This project has received funding from the European
Union's Horizon 2020 research and innovation programme under grant
agreement number 633053. The views and opinions expressed herein do not
necessarily reflect those of the European Commission.
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U1 4
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PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0741-3335
EI 1361-6587
J9 PLASMA PHYS CONTR F
JI Plasma Phys. Control. Fusion
PD JAN
PY 2017
VL 59
IS 1
SI SI
AR 014032
DI 10.1088/0741-3335/59/1/014032
PG 10
WC Physics, Fluids & Plasmas
SC Physics
GA EC0MM
UT WOS:000387795200007
ER
PT J
AU Liao, GQ
Li, YT
Li, C
Liu, H
Zhang, YH
Jiang, WM
Yuan, XH
Nilsen, J
Ozaki, T
Wang, WM
Sheng, ZM
Neely, D
McKenna, P
Zhang, J
AF Liao, G. Q.
Li, Y. T.
Li, C.
Liu, H.
Zhang, Y. H.
Jiang, W. M.
Yuan, X. H.
Nilsen, J.
Ozaki, T.
Wang, W. M.
Sheng, Z. M.
Neely, D.
McKenna, P.
Zhang, J.
TI Intense terahertz radiation from relativistic laser-plasma interactions
SO PLASMA PHYSICS AND CONTROLLED FUSION
LA English
DT Article
DE intense terahertz radiation; laser-plasma interactions; coherent
transition radiation; transient current; mode conversion
ID TRANSITION RADIATION; SOLID INTERACTIONS; GENERATION; PULSES;
ACCELERATION; TARGETS; WAVES
AB The development of tabletop intense terahertz (THz) radiation sources is extremely important for THz science and applications. This paper presents our measurements of intense THz radiation from relativistic laser-plasma interactions under different experimental conditions. Several THz generation mechanisms have been proposed and investigated, including coherent transition radiation (CTR) emitted by fast electrons from the target rear surface, transient current radiation at the front of the target, and mode conversion from electron plasma waves (EPWs) to THz waves. The results indicate that relativistic laser plasma is a promising driver of intense THz radiation sources.
C1 [Liao, G. Q.; Li, Y. T.; Li, C.; Liu, H.; Zhang, Y. H.; Jiang, W. M.; Wang, W. M.] Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China.
[Liao, G. Q.; Li, Y. T.; Liu, H.; Zhang, Y. H.; Jiang, W. M.] Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100190, Peoples R China.
[Liao, G. Q.; Yuan, X. H.; Sheng, Z. M.; Zhang, J.] Shanghai Jiao Tong Univ, Key Lab Laser Plasmas MoE, Shanghai 200240, Peoples R China.
[Liao, G. Q.; Yuan, X. H.; Sheng, Z. M.; Zhang, J.] Shanghai Jiao Tong Univ, Dept Phys & Astron, Shanghai 200240, Peoples R China.
[Nilsen, J.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA.
[Ozaki, T.] INRS EMT, 1650 Blvd Lionel Boulet, Varennes, PQ J3X 1S2, Canada.
[Sheng, Z. M.; McKenna, P.] Univ Strathclyde, Dept Phys, SUPA, Glasgow G4 0NG, Lanark, Scotland.
[Neely, D.] STFC Rutherford Appleton Lab, Cent Laser Facil, Didcot OX11 0QX, Oxon, England.
[Li, Y. T.; Yuan, X. H.; Wang, W. M.; Sheng, Z. M.; Zhang, J.] Shanghai Jiao Tong Univ, Collaborat Innovat Ctr IFSA CICIFSA, Shanghai 200240, Peoples R China.
RP Li, YT (reprint author), Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China.; Li, YT (reprint author), Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100190, Peoples R China.; Li, YT (reprint author), Shanghai Jiao Tong Univ, Collaborat Innovat Ctr IFSA CICIFSA, Shanghai 200240, Peoples R China.
EM ytli@iphy.ac.cn
RI McKenna, Paul/B-9764-2009; Sheng, Zheng-Ming/H-5371-2012; yuan,
xiaohui/O-4622-2015
OI McKenna, Paul/0000-0001-8061-7091; yuan, xiaohui/0000-0001-8924-4682
FU National Basic Research Program of China [2013CBA01501, 2014CB339801];
National Nature Science Foundation of China [11520101003, 11135012,
11375262, 11421064]; US Department of Energy by Lawrence Livermore
National Laboratory [DE-AC52-07NA27344]
FX We wish to acknowledge the laser facility team at SJTU, LLNL and
INRS-EMT for laser operation and technical support. This work is
supported by the National Basic Research Program of China (Grants No.
2013CBA01501 and No. 2014CB339801), the National Nature Science
Foundation of China (Grants No. 11520101003, No. 11135012, No. 11375262,
and No. 11421064). The work of one author (JN) was performed under the
auspices of the US Department of Energy by Lawrence Livermore National
Laboratory under Contract DE-AC52-07NA27344.
NR 46
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U1 22
U2 22
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0741-3335
EI 1361-6587
J9 PLASMA PHYS CONTR F
JI Plasma Phys. Control. Fusion
PD JAN
PY 2017
VL 59
IS 1
SI SI
AR 014039
DI 10.1088/0741-3335/59/1/014039
PG 7
WC Physics, Fluids & Plasmas
SC Physics
GA EC0MM
UT WOS:000387795200014
ER
PT J
AU Piovesan, P
Igochine, V
Turco, F
Ryan, DA
Cianciosa, MR
Liu, YQ
Marrelli, L
Terranova, D
Wilcox, RS
Wingen, A
Angioni, C
Bock, A
Chrystal, C
Classen, I
Dunne, M
Ferraro, NM
Fischer, R
Gude, A
Holcomb, CT
Lebschy, A
Luce, TC
Maraschek, M
McDermott, R
Odstrcil, T
Paz-Soldan, C
Reich, M
Sertoli, M
Suttrop, W
Taylor, NZ
Weiland, M
Willensdorfer, M
AF Piovesan, P.
Igochine, V.
Turco, F.
Ryan, D. A.
Cianciosa, M. R.
Liu, Y. Q.
Marrelli, L.
Terranova, D.
Wilcox, R. S.
Wingen, A.
Angioni, C.
Bock, A.
Chrystal, C.
Classen, I.
Dunne, M.
Ferraro, N. M.
Fischer, R.
Gude, A.
Holcomb, C. T.
Lebschy, A.
Luce, T. C.
Maraschek, M.
McDermott, R.
Odstrcil, T.
Paz-Soldan, C.
Reich, M.
Sertoli, M.
Suttrop, W.
Taylor, N. Z.
Weiland, M.
Willensdorfer, M.
CA ASDEX Upgrade Team
DIII-D Team
EUROfusion Mst1 Team
TI Impact of ideal MHD stability limits on high-beta hybrid operation
SO PLASMA PHYSICS AND CONTROLLED FUSION
LA English
DT Article
DE hybrid scenario; MHD stability; 3D equilibrium
ID CENTRAL MAGNETIC SHEAR; DIII-D; ADVANCED SCENARIOS; ASDEX UPGRADE;
TOKAMAK; DISCHARGES; ROTATION; MODES
AB The hybrid scenario is a candidate for stationary high-fusion gain tokamak operation in ITER and DEMO. To obtain such performance, the energy confinement and the normalized pressure beta(N) must be maximized, which requires operating near or above ideal MHD no-wall limits. New experimental findings show how these limits can affect hybrid operation. Even if hybrids are mainly limited by tearing modes, proximity to the no-wall limit leads to 3D field amplification that affects plasma profiles, e.g. rotation braking is observed in ASDEX Upgrade throughout the plasma and peaks in the core. As a result, even the small ASDEX Upgrade error fields are amplified and their effects become visible. To quantify such effects, ASDEX Upgrade measured the response to 3D fields applied by 8x2 non-axisymmetric coils as beta(N) approaches the no-wall limit. The full n = 1 response profile and poloidal structure were measured by a suite of diagnostics and compared with linear MHD simulations, revealing a characteristic feature of hybrids: the n = 1 response is due to a global, marginally-stable n = 1 kink characterized by a large m = 1, n = 1 core harmonic due to q(min) being just above 1. A helical core distortion of a few cm forms and affects various core quantities, including plasma rotation, electron and ion temperature, and intrinsic W density. In similar experiments, DIII-D also measured the effect of this helical core on the internal current profile, providing information useful to understanding of the physics of magnetic flux pumping, i.e. anomalous current redistribution by MHD modes that keeps q(min) > 1. Thanks to flux pumping, a broad current profile is maintained in DIII-D even with large on-axis current drive, enabling fully non-inductive operation at high beta(N) up to 3.5-4.
C1 [Piovesan, P.; Marrelli, L.; Terranova, D.] Consorzio RFX, Corso Stati Uniti 4, I-35127 Padua, Italy.
[Igochine, V.; Angioni, C.; Bock, A.; Dunne, M.; Fischer, R.; Gude, A.; Lebschy, A.; Maraschek, M.; McDermott, R.; Odstrcil, T.; Reich, M.; Sertoli, M.; Suttrop, W.; Weiland, M.; Willensdorfer, M.] Max Planck Inst Plasma Phys, D-85748 Garching, Germany.
[Turco, F.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA.
[Ryan, D. A.] Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England.
[Cianciosa, M. R.; Wingen, A.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Liu, Y. Q.] CCFE, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England.
[Wilcox, R. S.; Chrystal, C.; Taylor, N. Z.] Oak Ridge Associated Univ, POB 117, Oak Ridge, TN 37831 USA.
[Classen, I.] DIFFER, Nieuwegein, Netherlands.
[Ferraro, N. M.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
[Holcomb, C. T.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Luce, T. C.; Paz-Soldan, C.] Gen Atom, POB 85608, San Diego, CA 92186 USA.
RP Piovesan, P (reprint author), Consorzio RFX, Corso Stati Uniti 4, I-35127 Padua, Italy.
EM paolo.piovesan@igi.cnr.it
FU Euratom research and training programme [633053]; US DOE
[DE-FC02-04ER54698]
FX This work has been carried out within the framework of the EUROfusion
Consortium and has received funding from the Euratom research and
training programme 2014-2018 under grant agreement No 633053. The views
and opinions expressed herein do not necessarily reflect those of the
European Commission. The work has been also supported in part by the US
DOE under DE-FC02-04ER54698.
NR 61
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PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0741-3335
EI 1361-6587
J9 PLASMA PHYS CONTR F
JI Plasma Phys. Control. Fusion
PD JAN
PY 2017
VL 59
IS 1
SI SI
AR 014027
DI 10.1088/0741-3335/59/1/014027
PG 13
WC Physics, Fluids & Plasmas
SC Physics
GA EC0MM
UT WOS:000387795200002
ER
PT J
AU Croft, S
Favalli, A
AF Croft, S.
Favalli, A.
TI Incorporating delayed neutrons into the point-model equations routinely
used. for neutron coincidence counting in nuclear safeguards
SO ANNALS OF NUCLEAR ENERGY
LA English
DT Article
DE Delayed neutrons; Neutron coincidence counting; Point-model equations;
Neutron multiplicity counting
ID MULTIPLICATION; PLUTONIUM; ISOTOPES; ASSAY
AB We extend the familiar Bohnel point-model equations, which are routinely used to interpret neutron coincidence counting rates, by including the contribution of delayed neutrons. After developing the necessary equations we use them to show, by providing some numerical results, what the quantitative impact of neglecting delayed neutrons is across the full range of practical nuclear safeguards applications. The influence of delayed neutrons is predicted to be small for the types of deeply sub-critical assay problems which concern the nuclear safeguards community, smaller than uncertainties arising from other factors. This is most clearly demoristrated by considering the change in the effective (alpha,n)-to-spontaneous fission prompt-neutron ratio that the inclusion of delayed neutrons gives rise to. That the influence of delayed neutrons is small is fortunate, and our results justify the long standing practice of simply neglecting them in the analysis of field measurements. Published by Elsevier Ltd.
C1 [Croft, S.] Safeguards & Secur Technol, Nucl Secur & Isotope Technol Div, 1 Bethel Valley Rd,POB 2008,MS-6166, Oak Ridge, TN 37831 USA.
[Favalli, A.] Los Alamos Natl Lab, Nonproliferat & Nucl Engn Div, Safeguards Sci & Technol Grp, MS E540, Los Alamos, NM 87545 USA.
RP Croft, S (reprint author), Safeguards & Secur Technol, Nucl Secur & Isotope Technol Div, 1 Bethel Valley Rd,POB 2008,MS-6166, Oak Ridge, TN 37831 USA.
EM crofts@ornl.gov; afavalli@lanl.gov
FU U.S. Department of Energy (DOE), National Nuclear Security
Administration (NNSA), Office of Nonproliferation Research and
Development [NA-22]
FX This work was sponsored by the U.S. Department of Energy (DOE), National
Nuclear Security Administration (NNSA), Office of Nonproliferation
Research and Development (NA-22). We thank Dr. Peter Santi, Los Alamos
National Laboratory, and Prof. Imre Pazsit, Chalmers University of
Technology, for encouragement and valuable discussions.
NR 25
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PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0306-4549
J9 ANN NUCL ENERGY
JI Ann. Nucl. Energy
PD JAN
PY 2017
VL 99
BP 36
EP 39
DI 10.1016/j.anucene.2016.08.012
PG 4
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EC3UU
UT WOS:000388053100005
ER
PT J
AU Brown, NR
Wysocki, AJ
Terrani, KA
Xu, KG
Wachs, DM
AF Brown, Nicholas R.
Wysocki, Aaron J.
Terrani, Kurt A.
Xu, Kevin G.
Wachs, Daniel M.
TI The potential impact of enhanced accident tolerant cladding materials on
reactivity initiated accidents in light water reactors
SO ANNALS OF NUCLEAR ENERGY
LA English
DT Article
DE Transient testing; Nodal kinetics; Reactivity initiated accident; Fuel
thermal expansion; Accident tolerant cladding
ID FUELS; PERFORMANCE; OXIDATION; URANIUM; STATE; PWR
AB Advanced cladding materials with potentially enhanced accident tolerance will yield different light water reactor performance and safety characteristics" than the present zirconium-based cladding alloys. These differences are due to cladding material properties, reactor physics, and thermal hydraulics characteristics. Differences in reactor physics are driven by the fundamental properties (e.g., neutron absorption cross section in iron for an iron-based cladding) and also by design "modifications necessitated by the candidate cladding materials (e.g., a larger fuel pellet to compensate for parasitic absorption).
This paper describes three-dimensional nodal kinetics simulations of a reactivity-initiated accident (RIA) in a representative pressurized water reactor with both iron-chromium-aluminum (FeCrAl) and silicon-carbide fiber silicon carbide ceramic matrix composite (SiC/SiC) materials. This study shows similar RIA neutronic behavior for SiC/SiC cladding configurations versus reference Zircaloy cladding. However, the FeCrAl cladding response indicates similar energy deposition but with shorter pulses of higher magnitude. This is due to the shorter neutron generation time of the core models based on FeCrAl cladding. The FeCrAl-based cases exhibit a more rapid fuel thermal expansion rate than other cases, and the resultant pellet-cladding interaction may occur more rapidly. The conclusions in this paper are based on a limited set of simulated super prompt RIA transients. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Brown, Nicholas R.; Wysocki, Aaron J.; Terrani, Kurt A.; Xu, Kevin G.] Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
[Wachs, Daniel M.] Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA.
RP Brown, NR (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM brownnr@ornl.gov
FU US DOE-NE Advanced Fuels Campaign
FX This effort was supported by the US DOE-NE Advanced Fuels Campaign. M.N.
Cinbiz, T.J. Harrison, K.R. Robb, and D.C. Crawford of ORNL are
gratefully acknowledged for their internal review of this paper and the
work.
NR 31
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PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0306-4549
J9 ANN NUCL ENERGY
JI Ann. Nucl. Energy
PD JAN
PY 2017
VL 99
BP 353
EP 365
DI 10.1016/j.anucene.2016.09.033
PG 13
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EC3UU
UT WOS:000388053100041
ER
PT J
AU Qvist, SA
Hellesen, C
Gradecka, M
Dubberley, AE
Fanning, T
Greenspan, E
AF Qvist, Staffan A.
Hellesen, Carl
Gradecka, Malwina
Dubberley, Allen E.
Fanning, Thomas
Greenspan, Ehud
TI Tailoring the response of Autonomous Reactivity Control (ARC) systems
SO ANNALS OF NUCLEAR ENERGY
LA English
DT Article
DE Safety; Inherent safety; ARC, Autonomous Reactivity Control; ATWS;
Unprotected transients
ID METAL-COOLED REACTORS; LOSS-OF-FLOW; CORE DESIGN; CODE; PERFORMANCE;
ACCIDENTS; SHUTDOWN
AB The Autonomous Reactivity Control (ARC) system was developed to ensure inherent safety of Generation IV reactors while having a minimal impact on reactor performance and economic viability. In this study we present the transient response of fast reactor cores to postulated accident scenarios with and without ARC systems installed. Using a combination of analytical methods and numerical simulation, the principles of ARC system design that assure stability and avoids oscillatory behavior have been identified. A comprehensive transient analysis study for ARC-equipped cores, including a series of Unprotected Loss of Flow (ULOF) and Unprotected Loss of Heat Sink (ULOHS) simulations, were performed for Argonne National Laboratory (ANL) Advanced Burner Reactor (ABR) designs. With carefully designed ARC-systems installed in the fuel assemblies, the cores exhibit a smooth non-oscillatory transition to stabilization at acceptable temperatures following all postulated transients. To avoid oscillations in power and temperature, the reactivity introduced per degree of temperature change in the ARC system needs to be kept below a certain threshold the value of which is system dependent, the temperature span of actuation needs to be as large as possible. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Qvist, Staffan A.; Hellesen, Carl] Uppsala Univ, Dept Phys & Astron, Uppsala, Sweden.
[Qvist, Staffan A.; Gradecka, Malwina; Greenspan, Ehud] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA.
[Dubberley, Allen E.] Gen Elect Adv Reactor Syst Dept, Sunnyvale, CA USA.
[Fanning, Thomas] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA.
RP Qvist, SA (reprint author), Angstrom Lab, Lagerhyddsvagen 1, S-75237 Uppsala, Sweden.
EM staffan.qvist@physics.uu.se
FU US Department of Energy Nuclear Energy University Program [DE-NE0008455]
FX This work was supported by the US Department of Energy Nuclear Energy
University Program under project DE-NE0008455.
NR 30
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U1 2
U2 2
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0306-4549
J9 ANN NUCL ENERGY
JI Ann. Nucl. Energy
PD JAN
PY 2017
VL 99
BP 383
EP 398
DI 10.1016/j.anucene.2016.09.036
PG 16
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA EC3UU
UT WOS:000388053100044
ER
PT J
AU Fontes, CJ
Zhang, HL
AF Fontes, Christopher J.
Zhang, Hong Lin
TI Relativistic distorted-wave collision strengths for Delta n=0
transitions in the 67 Li-like, F-like and Na-like ions with 26 <= Z <=
92
SO ATOMIC DATA AND NUCLEAR DATA TABLES
LA English
DT Article
DE Electron-impact excitation collision strengths; Relativistic
distorted-wave theory; Lithium-like, fluorine-like, and sodium-like
ions; Improved top-up method
ID HIGHLY-CHARGED IONS; OPTICALLY ALLOWED TRANSITIONS; ELECTRON-IMPACT
EXCITATION; C-LIKE IONS; B-LIKE IONS; POSSIBLE N=2-N=3 TRANSITIONS;
OSCILLATOR-STRENGTHS; ATOMIC DATA; N=2; IRON
AB Relativistic distorted-wave collision strengths have been calculated for all possible Delta n = 0 transitions, where n denotes the valence shell of the ground level, in the 67 Li-like, F-like and Na-like ions with Z in the range 26 <= Z <= 92. This choice produces 3 transitions with n = 2 in the Li-like and F-like ions, and 10 transitions with n = 3 in the Na-like ions. For the Li-like and F-like ions, the calculations were made for the six final, or scattered, electron energies E' = 0.008, 0.04, 0.10, 0.21, 0.41, and 0.75, where E' is in units of Z(eff)(2) Ry with Z(eff) = Z - 1.66 for Li-like ions and Z(eff) = Z - 6.667 for F-like ions. For the Na-like ions, the calculations were made for the six final electron energies E' = 0.0025, 0.015, 0.04, 0.10, 0.21, and 0.40, with Z(eff) = Z - 8.34. In the present calculations, an improved "top-up" method, which employs relativistic plane waves, was used to obtain the high partial-wave contribution for each transition, in contrast to the partial-relativistic Coulomb-Bettie approximation used in previous works by Zhang, Sampson and Fontes [H.L. Zhang, D.H. Sampson, C.J. Fontes, At. Data Nucl. Data Tables 44 (1990) 31; H.L. Zhang, D.H. Sampson, C.J. Fontes, At. Data Nucl. Data Tables 48 (1991) 25; D.H. Sampson, H.L Zhang, C.J. Fontes, At. Data Nucl. Data Tables 44 (1990) 209]. In those previous works, collision strengths were also provided for Li-, F- and Na-like ions, but for a more comprehensive set of transitions. The collision strengths covered in the present work should be more accurate than the corresponding data given in those previous works and are presented here to replace those earlier results. (C) 2016 Elsevier Inc. All rights reserved.
C1 [Fontes, Christopher J.; Zhang, Hong Lin] Los Alamos Natl Lab, Computat Phys Div, Los Alamos, NM 87545 USA.
RP Fontes, CJ (reprint author), Los Alamos Natl Lab, Computat Phys Div, Los Alamos, NM 87545 USA.
EM cjf@lanl.gov
FU U.S. Department of Energy [DE-AC52-06NA25396]
FX This work was performed under the auspices of the U.S. Department of
Energy by Los Alamos National Laboratory under Contract No.
DE-AC52-06NA25396.
NR 45
TC 0
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U1 2
U2 2
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0092-640X
EI 1090-2090
J9 ATOM DATA NUCL DATA
JI Atom. Data Nucl. Data Tables
PD JAN
PY 2017
VL 113
BP 293
EP 315
DI 10.1016/j.adt.2016.04.001
PG 23
WC Physics, Atomic, Molecular & Chemical; Physics, Nuclear
SC Physics
GA EC2IL
UT WOS:000387935300004
ER
PT B
AU Ruffing, AM
AF Ruffing, Anne M.
BE Los, DA
TI Metabolic Engineering and Systems Biology for Free Fatty Acid Production
in Cyanobacteria
SO CYANOBACTERIA: OMICS AND MANIPULATION
LA English
DT Article; Book Chapter
ID ACYL CARRIER PROTEIN; SYNECHOCYSTIS SP PCC6803; STRAIN PCC 7002;
ESCHERICHIA-COLI; SYNTHETIC BIOLOGY; GENE-EXPRESSION; BIOSYNTHESIS;
PHOTOSYNTHESIS; BIOFUELS; GROWTH
AB Free fatty acids (FFAs) are essential cellular components and also potential precursors for biofuel production. The modification of cyanobacteria for FFA production allows for the production of this high density energy molecule from CO2 and sunlight as the main carbon and energy sources. Efforts to engineer cyanobacteria for FFA production have provided a proof-of-concept demonstration for this approach, yet FFA yields are too low to support industrial-scale production for biofuel applications. This chapter highlights previous successes in engineering cyanobacterial FFA production, possible targets for future metabolic engineering efforts, and the many challenges that must be overcome. Due to the essential nature of fatty acid biosynthesis, modification of this major metabolic pathway includes interactions with many other pathways of carbon metabolism and complex regulatory mechanisms. In addition, cyanobacterial FFA production has been shown to result in cellular stress responses affecting growth, membrane integrity and composition, and photosynthesis. These complex interactions necessitate the use of systems biology approaches, such as omics and computational modelling, to understand and effectively manipulate cyanobacteria for enhanced FFA production. While there are few examples of the application of systems biology to FFA production in cyanobacteria, a review of technologies and tools developed for cyanobacteria is presented to guide future efforts in this area. The proposed integration of metabolic engineering and systems biology approaches may advance our understanding of cyanobacterial fatty acid biosynthesis and overcome current barriers in cyanobacterial FFA production.
C1 [Ruffing, Anne M.] Sandia Natl Labs, Dept Bioenergy & Def Technol, POB 5800, Albuquerque, NM 87185 USA.
RP Ruffing, AM (reprint author), Sandia Natl Labs, Dept Bioenergy & Def Technol, POB 5800, Albuquerque, NM 87185 USA.
EM aruffin@sandia.gov
NR 81
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U1 11
U2 11
PU CAISTER ACADEMIC PRESS
PI WYMONDHAM
PA 32 HEWITTS LANE, WYMONDHAM NR 18 0JA, ENGLAND
BN 978-1-910190-55-5; 978-1-910190-56-2
PY 2017
BP 161
EP 185
PG 25
WC Microbiology
SC Microbiology
GA BG3MA
UT WOS:000388010300009
ER
PT J
AU Semete, P
Fevrier, B
Le Pape, Y
Delorme, J
Sanahuja, J
Legrix, A
AF Semete, P.
Fevrier, B.
Le Pape, Y.
Delorme, J.
Sanahuja, J.
Legrix, A.
TI Concrete desorption isotherms and permeability determination: effects of
the sample geometry
SO EUROPEAN JOURNAL OF ENVIRONMENTAL AND CIVIL ENGINEERING
LA English
DT Article
DE concrete; desorption isotherm; permeability; balance criterion
ID HARDENED CEMENT PASTE
AB The isotherm sorption curve is a first-order parameter used in the Finite Element modelling of concrete moisture transport, shrinkage and creep behaviour. An original experimental campaign was developed by EDF R&D in order to characterise the first desorption isotherm at room temperature of a laboratory concrete. Long-term drying tests were carried out on three sample geometries: radial and axial one-dimensional drying on thin discs and multi-dimensional drying on representative elementary volumes (REV), in order to evaluate the possibility of accelerating the tests. Porosity, densities and mass loss curves are measured and the first-desorption isotherms obtained for the three different configurations are compared. Several analyses of these results are proposed including the assessment of a criterion for the determination of the moisture content final balance (estimation of the asymptotic mass loss) and the back analysis of equivalent permeability. The tests results show the significant time gain using thin (2.5mm) concrete half samples drying in radial direction compared to the REV samples.
C1 [Semete, P.; Fevrier, B.; Delorme, J.; Sanahuja, J.; Legrix, A.] EDF R&D, MMC Dept, Moret Sur Loing, France.
[Le Pape, Y.] ORNL, Oak Ridge, TN USA.
RP Semete, P (reprint author), EDF R&D, MMC Dept, Moret Sur Loing, France.
EM patrick.semete@edf.fr
FU Electricite de France (EdF)
FX The authors would like to thank Electricite de France (EdF) for
supporting the project including this work.
NR 28
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U1 7
U2 7
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND
SN 1964-8189
EI 2116-7214
J9 EUR J ENVIRON CIV EN
JI Eur. J. Environ. Civ. Eng.
PY 2017
VL 21
IS 1
BP 42
EP 62
DI 10.1080/19648189.2015.1090930
PG 21
WC Engineering, Civil; Engineering, Geological
SC Engineering
GA EC2HA
UT WOS:000387929500003
ER
PT J
AU Zhang, WM
Wang, F
Costinett, DJ
Tolbert, LM
Blalock, BJ
AF Zhang, Weimin
Wang, Fred
Costinett, Daniel J.
Tolbert, Leon M.
Blalock, Benjamin J.
TI Investigation of Gallium Nitride Devices in High-Frequency LLC Resonant
Converters
SO IEEE TRANSACTIONS ON POWER ELECTRONICS
LA English
DT Article
DE GaN devices; high switching frequency; LLC resonant converter;
transformer winding
ID HIGH-EFFICIENCY; TRANSFORMER; DESIGN; POWER
AB Newly emerged gallium nitride (GaN) devices feature ultrafast switching speed and low on-state resistance that potentially provide significant improvements for power converters. This paper investigates the benefits of GaN devices in an LLC resonant converter and quantitatively evaluates GaN devices' capabilities to improve converter efficiency. First, the relationship of device and converter design parameters to the device loss is established based on an analytical model of LLC resonant converter operating at the resonance. Due to the low effective output capacitance of GaN devices, the GaN-based design demonstrates about 50% device loss reduction compared with the Si-based design. Second, a new perspective on the extra transformer winding loss due to the asymmetrical primary-side and secondary-side current is proposed. The device and design parameters are tied to the winding loss based on the winding loss model in the finite element analysis (FEA) simulation. Compared with the Si-based design, the winding loss is reduced by 18% in the GaN-based design. Finally, in order to verify the GaN device benefits experimentally, 400- to 12-V, 300-W, 1-MHz GaN-based and Si-based LLC resonant converter prototypes are built and tested. One percent efficiency improvement, which is 24.8% loss reduction, is achieved in the GaN-based converter.
C1 [Zhang, Weimin; Wang, Fred; Costinett, Daniel J.; Tolbert, Leon M.; Blalock, Benjamin J.] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA.
[Zhang, Weimin] Tesla Motors Inc, Palo Alto, CA 94304 USA.
[Wang, Fred; Costinett, Daniel J.; Tolbert, Leon M.] Oak Ridge Natl Lab, Knoxville, TN 37831 USA.
RP Zhang, WM (reprint author), Tesla Motors Inc, Palo Alto, CA 94304 USA.
EM wzhang29@vols.utk.edu; fred.wang@utk.edu; daniel.costinett@utk.edu;
tolbert@utk.edu; bblalock@eecs.utk.edu
OI Tolbert, Leon/0000-0002-7285-609X
FU Engineering Research Center Shared Facilities - Engineering Research
Center Program of the National Science Foundation; DOE under NSF Award
[EEC-1041877]; Center for Ultra-wide-area Resilient Electric Energy
Transmission Networks (CURENT) Industry Partnership Program
FX This work was supported by the Engineering Research Center Shared
Facilities supported by the Engineering Research Center Program of the
National Science Foundation and DOE under NSF Award Number EEC-1041877
and the Center for Ultra-wide-area Resilient Electric Energy
Transmission Networks (CURENT) Industry Partnership Program. Recommended
for publication by Associate Editor J. Wang.
NR 32
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U1 10
U2 10
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0885-8993
EI 1941-0107
J9 IEEE T POWER ELECTR
JI IEEE Trans. Power Electron.
PD JAN
PY 2017
VL 32
IS 1
BP 571
EP 583
DI 10.1109/TPEL.2016.2528291
PG 13
WC Engineering, Electrical & Electronic
SC Engineering
GA EC5HZ
UT WOS:000388166200047
ER
PT J
AU Zhang, JC
Hong, Y
Liu, MQ
Yue, YN
Xiong, QG
Lorenzini, G
AF Zhang, Jingchao
Hong, Yang
Liu, Mengqi
Yue, Yanan
Xiong, Qingang
Lorenzini, Giulio
TI Molecular dynamics simulation of the interfacial thermal resistance
between phosphorene and silicon substrate
SO INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
LA English
DT Article
DE Phosphorene; Interfacial thermal resistance; Molecular dynamics
simulation; Graphene; Silicene
ID LIQUID-SOLID INTERFACE; BLACK PHOSPHORUS; REFLECTANCE TECHNIQUE;
BOUNDARY RESISTANCE; GRAPHENE; TRANSPORT; ENERGY; TRANSISTORS;
CONDUCTIVITY; MONOLAYER
AB Phosphorene is a recently discovered member of the two-dimensional (2D) monolayer materials, which has been reported to exhibit unique characteristics on mechanical and thermal properties. This study is the first time to show the exceptional thermal conductance between phosphorene and crystalline silicon substrate through classical molecular dynamics (MD) simulations. MD simulations revealed that under conventional conditions, the interfacial thermal resistance (R) between phosphorene and silicon is very low and independent on the thickness (h) of silicon substrate when h is larger than 3.12 nm. It was also found that R decreases remarkably with the increases in system temperature (T-ie) and contact strength (chi). To further explicitly display the superiority of phosphorene on interfacial heat transfer, R of other two popular 2D monolayer materials, i.e., graphene and silicene, were calculated for comparison. The comparisons revealed that R of phosphorene shows two distinct advantages over graphene and silicene. On one hand, within the studied ranges of T-ie and chi, R between phosphorene and silicon substrate is about quarter of that between graphene and silicon substrate, which proves that phosphorene is really a high-performance 2D monolayer material for interfacial heat transfer. On the other hand, with the increases in T-ie and chi, R between phosphorene and silicon substrate decreases more sharply than that between silicene and silicon substrate, indicating that phosphorene is more sensitive to environmental variations. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Zhang, Jingchao] Univ Nebraska, Holland Comp Ctr, Lincoln, NE 68588 USA.
[Hong, Yang] Univ Nebraska, Dept Chem, Lincoln, NE 68588 USA.
[Liu, Mengqi] T Rex Engn Construct, Houston, TX 77015 USA.
[Yue, Yanan] Wuhan Univ, Sch Power & Mech Engn, Wuhan 430072, Hubei, Peoples R China.
[Xiong, Qingang] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Lorenzini, Giulio] Univ Parma, Dept Ind Engn, I-43124 Parma, Italy.
RP Xiong, QG (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.; Lorenzini, G (reprint author), Univ Parma, Dept Ind Engn, I-43124 Parma, Italy.
EM qgxiong@126.com; giulio.lorenzini@unipr.it
OI Zhang, Jingchao/0000-0001-5289-6062
FU University of Nebraska-Lincoln Holland Computing Center; National
Natural Science Foundation of China [51428603, 51576145]
FX Support from the University of Nebraska-Lincoln Holland Computing Center
is greatly appreciated. Y. Yue would like to thank the financial support
from the National Natural Science Foundation of China (Nos. 51428603 and
51576145).
NR 55
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U1 40
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PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0017-9310
EI 1879-2189
J9 INT J HEAT MASS TRAN
JI Int. J. Heat Mass Transf.
PD JAN
PY 2017
VL 104
BP 871
EP 877
DI 10.1016/j.ijheatmasstransfer.2016.08.021
PG 7
WC Thermodynamics; Engineering, Mechanical; Mechanics
SC Thermodynamics; Engineering; Mechanics
GA EB8FR
UT WOS:000387627400078
ER
PT J
AU Kim, E
Lipnikov, K
AF Kim, Eugenia
Lipnikov, Konstantin
TI The mimetic finite difference method for the Landau-Lifshitz equation
SO JOURNAL OF COMPUTATIONAL PHYSICS
LA English
DT Article
DE Micromagnetics; Landau-Lifshitz equation; Landau-Lifshitz-Gilbert
equation; Mimetic finite difference method; Polygonal meshes
ID FAST FOURIER-TRANSFORM; MICROMAGNETICS SIMULATIONS; GILBERT EQUATION;
MAGNETOSTATIC FIELDS; NUMERICAL-METHODS; CONVERGENCE; COMPUTATION;
SCHEME; INTEGRATION; ALGORITHMS
AB The Landau-Lifshitz equation describes the dynamics of the magnetization inside ferro-magnetic materials. This equation is highly nonlinear and has a non- convex constraint (the magnitude of the magnetization is constant) which posesinteresting challenges in developing numerical methods. We develop and analyze explicit and implicit mimetic finite difference schemes for this equation. These schemes work on general polytopal meshes which provide enormous flexibility to model magnetic devices with various shapes. A projection on the unit sphere is used to preserve the magnitude of the magnetization. We also provide a proof that shows the exchange energy is decreasing in certain conditions. The developed schemes are tested on general meshes that include distorted and randomized meshes. The numerical experiments include a test proposed by the National Institute of Standard and Technology and a test showing formation of domain wall structures in a thin film. (C) 2016 Elsevier Inc. All rights reserved.
C1 [Kim, Eugenia; Lipnikov, Konstantin] Los Alamos Natl Lab, MS B284, Los Alamos, NM 87544 USA.
[Kim, Eugenia] Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA.
RP Kim, E (reprint author), Los Alamos Natl Lab, MS B284, Los Alamos, NM 87544 USA.; Kim, E (reprint author), Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA.
EM kim107@math.berkeley.edu
FU National Nuclear Security Administration of the U.S. Department of
Energy at Los Alamos National Laboratory [DE-AC52-06NA25396]; U.S.
Department of Energy, Office of Science, Office of Workforce Development
for Teachers and Scientists, Office of Science Graduate Student Research
(SCGSR) program; DOE [DE-AC05-06OR23100]; U.S. Department of Energy
Office of Science Advanced Scientific Computing Research (ASCR) Program
in Applied Mathematics Research
FX This work was carried out under the auspices of the National Nuclear
Security Administration of the U.S. Department of Energy at Los Alamos
National Laboratory under Contract No. DE-AC52-06NA25396. The first
author was supported by the U.S. Department of Energy, Office of
Science, Office of Workforce Development for Teachers and Scientists,
Office of Science Graduate Student Research (SCGSR) program. The SCGSR
program is administered by the Oak Ridge Institute for Science and
Education for the DOE under contract number DE-AC05-06OR23100. The
second author acknowledges the support of the U.S. Department of Energy
Office of Science Advanced Scientific Computing Research (ASCR) Program
in Applied Mathematics Research.
NR 48
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U1 4
U2 4
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0021-9991
EI 1090-2716
J9 J COMPUT PHYS
JI J. Comput. Phys.
PD JAN 1
PY 2017
VL 328
BP 109
EP 130
DI 10.1016/j.jcp.2016.10.016
PG 22
WC Computer Science, Interdisciplinary Applications; Physics, Mathematical
SC Computer Science; Physics
GA EC2UT
UT WOS:000387980400007
ER
PT J
AU Keady, KP
Cleveland, MA
AF Keady, Kendra P.
Cleveland, Mathew A.
TI An improved random walk algorithm for the implicit Monte Carlo method
SO JOURNAL OF COMPUTATIONAL PHYSICS
LA English
DT Article
DE Implicit Monte Carlo; Random walk; Hybrid methods
ID NONLINEAR RADIATION TRANSPORT; TIME
AB In this work, we introduce a modified Implicit Monte Carlo (IMC) Random Walk (RW) algorithm, which increases simulation efficiency for multigroup radiative transfer problems with strongly frequency-dependent opacities.
To date, the RW method has only been implemented in "fully-gray" form; that is, the multigroup IMC opacities are group-collapsed over the full frequency domain of the problem to obtain a gray diffusion problem for RW. This formulation works well for problems with large spatial cells and/or opacities that are weakly dependent on frequency; however, the efficiency of the RW method degrades when the spatial cells are thin or the opacities are a strong function of frequency.
To address this inefficiency, we introduce a RW frequency group cutoff in each spatial cell, which divides the frequency domain into optically thick and optically thin components. Inthe modified algorithm, opacities for the RW diffusion problem are obtained by group-collapsing IMC opacities below the frequency group cutoff. Particles with frequencies above the cutoff are transported via standard IMC, while particles below the cutoff are eligible for RW. This greatly increases the total number of RW steps taken per IMC time-step, which in turn improves the efficiency of the simulation. We refer to this new method as Partially-Gray Random Walk (PGRW).
We present numerical results for several multigroup radiative transfer problems, which show that the PGRW method is significantly more efficient than standard RW for several problems of interest. In general, PGRW decreases runtimes by a factor of similar to 2-4 compared to standard RW, and a factor of similar to 3-6 compared to standard IMC. While PGRW is slower than frequency-dependent Discrete Diffusion Monte Carlo (DDMC), it is also easier to adapt to unstructured meshes and can be used in spatial cells where DDMC is not applicable. This suggests that it may be optimal to employ both DDMC and PGRW in a single simulation. (C) 2016 Elsevier Inc. All rights reserved.
C1 [Keady, Kendra P.; Cleveland, Mathew A.] Los Alamos Natl Lab, CCS 2,POB 1663, Los Alamos, NM 87545 USA.
RP Keady, KP (reprint author), Los Alamos Natl Lab, CCS 2,POB 1663, Los Alamos, NM 87545 USA.
EM keadyk@lanl.gov
FU U.S. government [DE-AC52-06NA25396]
FX This work was performed under U.S. government contract DE-AC52-06NA25396
for Los Alamos National Laboratory, which is operated by Los Alamos
National Security, LLC, for the U.S. Department of Energy.
NR 10
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U1 7
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PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0021-9991
EI 1090-2716
J9 J COMPUT PHYS
JI J. Comput. Phys.
PD JAN 1
PY 2017
VL 328
BP 160
EP 176
DI 10.1016/j.jcp.2016.09.056
PG 17
WC Computer Science, Interdisciplinary Applications; Physics, Mathematical
SC Computer Science; Physics
GA EC2UT
UT WOS:000387980400010
ER
PT J
AU Montgomery, R
Tome, C
Liu, WF
Alankar, A
Subramanian, G
Stanek, C
AF Montgomery, Robert
Tome, Carlos
Liu, Wenfeng
Alankar, Alankar
Subramanian, Gopinath
Stanek, Christopher
TI Use of multiscale zirconium alloy deformation models in nuclear fuel
behavior analysis
SO JOURNAL OF COMPUTATIONAL PHYSICS
LA English
DT Article
DE Nuclear fuel modeling; Microstructure deformation modeling; Zirconium
alloy; Irradiation growth; Irradiation creep; Plasticity
ID MECHANICAL-BEHAVIOR; IRRADIATION GROWTH; TEXTURE DEVELOPMENT; THERMAL
CREEP; SIMULATION; PRESSURE; POLYCRYSTALS; TITANIUM; ELEMENTS
AB Accurate prediction of cladding mechanical behavior is a key aspect of modeling nuclear fuel behavior, especially for conditions of pellet-cladding interaction (PCI), reactivity-initiated accidents (RIA), and loss of coolant accidents (LOCA). Current approaches to fuel performance modeling rely on empirical constitutive models for cladding creep, growth and plastic deformation, which are limited to the materials and conditions for which the models were developed. To improve upon this approach, a microstructurally-based zirconium alloy mechanical deformation analysis capability is being developed within the United States Department of Energy Consortium for Advanced Simulation of Light Water Reactors (CASL). Specifically, the viscoplastic self-consistent (VPSC) polycrystal plasticity modeling approach, developed by Lebensohn and Tom [1], has been coupled with the BISON engineering scale fuel performance code to represent the mechanistic material processes controlling the deformation behavior of light water reactor (LWR) cladding. A critical component of VPSC is the representation of the crystallographic nature ( defect and dislocation movement) and orientation of the grains within the matrix material and the ability to account for the role of texture on deformation. A future goal is for VPSC to obtain information on reaction rate kinetics from atomistic calculations to inform the defect and dislocation behavior models described in VPSC. The multiscale modeling of cladding deformation mechanisms allowed by VPSC far exceed the functionality of typical semi-empirical constitutive models employed in nuclear fuel behavior codes to model irradiation growth and creep, thermal creep, or plasticity. This paper describes the implementation of an interface between VPSC and BISON and provides initial results utilizing the coupled functionality. (C) 2016 Elsevier Inc. All rights reserved.
C1 [Montgomery, Robert] Pacific Northwest Natl Lab, Richland, WA 99352 USA.
[Tome, Carlos; Stanek, Christopher] Los Alamos Natl Lab, Los Alamos, NM USA.
[Liu, Wenfeng] ANATECH Corp, San Diego, CA USA.
[Alankar, Alankar] Indian Inst Technol, Bombay, Maharashtra, India.
[Subramanian, Gopinath] Univ Southern Mississippi, Hattiesburg, MS 39406 USA.
RP Montgomery, R (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA.
EM robert.montgomery@pnnl.gov; tome@lanl.gov; wenfeng.liu@anatech.com;
alankar.alankar@iitb.ac.in; gopinath.subramanian@usm.edu;
stanek@lanl.gov
FU Consortium for Advanced Simulation of Light Water Reactors, an Energy
Innovation Hub for Modeling and Simulation of Nuclear Reactors under
U.S. Department of Energy [DE-AC05-00OR22725]
FX This work was supported by the Consortium for Advanced Simulation of
Light Water Reactors (www.casl.gov), an Energy Innovation Hub (http://
www.energy.gov/hubs) for Modeling and Simulation of Nuclear Reactors
under U.S. Department of Energy Contract No. DE-AC05-00OR22725.
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PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0021-9991
EI 1090-2716
J9 J COMPUT PHYS
JI J. Comput. Phys.
PD JAN 1
PY 2017
VL 328
BP 278
EP 300
DI 10.1016/j.jcp.2016.09.051
PG 23
WC Computer Science, Interdisciplinary Applications; Physics, Mathematical
SC Computer Science; Physics
GA EC2UT
UT WOS:000387980400016
ER
PT J
AU Deal, JW
Le, P
Corey, CB
More, K
West, CW
AF Deal, Jacob W.
Phong Le
Corey, C. Blake
More, Karren
West, Christy Wheeler
TI Water-gas shift reaction on alumina-supported Pt-CeOx catalysts prepared
by supercritical fluid deposition
SO JOURNAL OF SUPERCRITICAL FLUIDS
LA English
DT Article
DE Supercritical; CO2; Platinum; Gas-shift; Wgs; Wgsr; Catalyst; Catalysis;
Alumina; Hydrogen; Fuel cell; Reaction
ID METHANOL FUEL-CELLS; CARBON-DIOXIDE; PLATINUM NANOPARTICLES;
NANOSTRUCTURED MATERIALS; PT/AL2O3 CATALYSTS; GREEN CHEMISTRY; CERIA;
SOLUBILITY; SOLVENTS; PERFORMANCE
AB Alumina-supported platinum catalysts, both with and without ceria, were prepared by supercritical fluid deposition and evaluated for activity for water-gas shift reaction. The organometallic precursor, platinum(II) acetylacetonate, was deposited from solution in supercritical carbon dioxide. Analysis of the catalysts by high resolution scanning transmission electron microscopy indicated that platinum was present in the form of highly dispersed metal nanoparticles. Pretreatment of the alumina-supported ceria in hydrogen prior to the deposition of the platinum precursor resulted in more platinum nucleated on ceria than non-pretreated alumina-supported ceria but varied in both particle size and structure. The ceria-containing catalyst that was not pretreated exhibited a more uniform particle size, and the Pt particles were encapsulated in crystalline ceria. Reaction rate measurements showed that the catalyst was more active for water-gas shift, with reaction rates per mass of platinum that exceeded most literature values for water-gas shift reaction on Pt-CeOx catalysts. The high activity was attributed to the significant fraction of platinum/ceria interfacial contact. These results show the promise of supercritical fluid deposition as a scalable means of synthesizing highly active supported metal catalysts that offer efficient utilization of precious metals. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Deal, Jacob W.; Phong Le; Corey, C. Blake; West, Christy Wheeler] Univ S Alabama, Dept Chem & Biomol Engn, Mobile, AL 36688 USA.
[More, Karren] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN USA.
RP West, CW (reprint author), Univ S Alabama, Dept Chem & Biomol Engn, Mobile, AL 36688 USA.
EM cwwest@southalabama.edu
FU University of South Alabama's Faculty Development Council;
Alabama-EPSCoR program of the United States Department of Energy
FX Support for this work was provided in part from the University of South
Alabama's Faculty Development Council and from the Alabama-EPSCoR
program of the United States Department of Energy. The microscopy was
performed at the Center for Nanophase Materials Science at Oak Ridge
National Laboratory, which is a DOE Office of Science facility.
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PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0896-8446
EI 1872-8162
J9 J SUPERCRIT FLUID
JI J. Supercrit. Fluids
PD JAN
PY 2017
VL 119
BP 113
EP 121
DI 10.1016/j.supflu.2016.08.016
PG 9
WC Chemistry, Physical; Engineering, Chemical
SC Chemistry; Engineering
GA EC3UW
UT WOS:000388053300014
ER
PT J
AU Rajbhandari, PP
Bikowski, A
Perkins, JD
Dhakal, TP
Zakutayev, A
AF Rajbhandari, Pravakar P.
Bikowski, Andre
Perkins, John D.
Dhakal, Tara P.
Zakutayev, Andriy
TI Combinatorial sputtering of Ga-doped (Zn,Mg)O for contact applications
in solar cells
SO SOLAR ENERGY MATERIALS AND SOLAR CELLS
LA English
DT Article
DE Transparent conductive oxide; Electron affinity; High-throughput
experiments; Electrical contact; Photovoltaic; Photo-electrochemical
ID ZNO THIN-FILMS; CONDUCTION-BAND OFFSET; ELECTRICAL-PROPERTIES;
PHOTOVOLTAIC CELLS; TRANSPARENT; LAYER; DEPOSITION; EFFICIENCY;
PERFORMANCE; FABRICATION
AB Development of tunable contact materials based on environmentally friendly chemical elements using scalable deposition approaches is necessary for existing and emerging solar energy conversion technologies. In this paper, the properties of ZnO alloyed with magnesium (Mg), and doped with gallium (Ga) are studied using combinatorial thin film experiments. As a result of these studies, the optical band gap of the sputtered Zn1_xMgxO thin films was determined to vary from 3.3 to 3.6 eV for a compositional spread of Mg content in the 0.04 < x < 0.17 range. Depending on whether or not Ga dopants were added, the electron concentrations were on the order of 10(17) cm(-3) or 10(20) cm(-3), respectively. Based on these results and on the Kelvin Probe work function measurements, a band diagram was derived using basic semiconductor physics equations. The quantitative determination of how the energy levels of Ga-doped (Zn, Mg)O thin films change as a function of Mg composition presented here, will facilitate their use as optimized contact layers for both Cu2ZnSnS4 (CZTS), Cu(In, Ga)Se-2 (CIGS) and other solar cell absorbers. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Rajbhandari, Pravakar P.; Bikowski, Andre; Perkins, John D.; Zakutayev, Andriy] Natl Renewable Energy Lab, Mat & Chem Sci Directorate, Ctr Mat Sci, Golden, CO 80401 USA.
[Rajbhandari, Pravakar P.; Dhakal, Tara P.] SUNY Binghamton, Elect & Comp Engn Dept, Vestal, NY 13850 USA.
[Rajbhandari, Pravakar P.; Dhakal, Tara P.] SUNY Binghamton, Ctr Autonomous, Solar Power Lab, Vestal, NY 13850 USA.
RP Rajbhandari, PP; Zakutayev, A (reprint author), Natl Renewable Energy Lab, Mat & Chem Sci Directorate, Ctr Mat Sci, Golden, CO 80401 USA.; Dhakal, TP (reprint author), SUNY Binghamton, Elect & Comp Engn Dept, Vestal, NY 13850 USA.; Dhakal, TP (reprint author), SUNY Binghamton, Ctr Autonomous, Solar Power Lab, Vestal, NY 13850 USA.
EM prajbha1@binghamton.edu; tdhakal@binghamton.edu;
andriy.zakutayev@nrel.gov
FU U.S. Department of Energy (US DOE), office of Energy Efficiency and
Renewable Energy (EERE) [De-AC36-08-GO28308]; National Renewable Energy
Laboratory, as a part of the Non-Proprietary Partnering project; SUNY
Binghamton; US DOE EERE, as a part of "Rapid Development" project within
the SunShot initiative; Office of Naval Research [N00014-11-1-0658]
FX This work was supported by the U.S. Department of Energy (US DOE),
office of Energy Efficiency and Renewable Energy (EERE), under Contract
No. De-AC36-08-GO28308 with the National Renewable Energy Laboratory, as
a part of the Non-Proprietary Partnering project with SUNY Binghamton.
Andriy Zakutayev was also supported by US DOE EERE, as a part of "Rapid
Development" project within the SunShot initiative. Tara P. Dhakal also
acknowledges support from the Office of Naval Research (Grant No.
N00014-11-1-0658). The authors would like to thank Matthew Young and
Glenn Teeter at NREL for their assistance with the photoelectron
spectroscopy measurement attempts.
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PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0927-0248
EI 1879-3398
J9 SOL ENERG MAT SOL C
JI Sol. Energy Mater. Sol. Cells
PD JAN
PY 2017
VL 159
BP 219
EP 226
DI 10.1016/j.solmat.2016.09.003
PG 8
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA EC3UZ
UT WOS:000388053600026
ER
PT J
AU Fields, JD
Pach, G
Horowitz, KAW
Stockert, TR
Woodhouse, M
van Hest, MFAM
AF Fields, J. D.
Pach, G.
Horowitz, K. A. W.
Stockert, T. R.
Woodhouse, M.
van Hest, M. F. A. M.
TI Printed interconnects for photovoltaic modules
SO SOLAR ENERGY MATERIALS AND SOLAR CELLS
LA English
DT Article
DE Thin-film photovoltaics; Module construction; Monolithic interconnects;
Printing
ID FILM SOLAR-CELLS; EFFICIENCY; LASERS
AB Film-based photovoltaic modules employ monolithic interconnects to minimize resistance loss and enhance module voltage via series connection. Conventional interconnect construction occurs sequentially, with a scribing step following deposition of the bottom electrode, a second scribe after deposition of absorber and intermediate layers, and a third following deposition of the top electrode. This method produces interconnect widths of about 300 mu m, and the area comprised by interconnects within a module (generally about 3%) does not contribute to power generation. The present work reports on an increasingly popular strategy capable of reducing the interconnect width to less than 100 mu m: printing interconnects. Cost modeling projects a savings of about $0.02/watt for CdTe module production through the use of printed interconnects, with savings coming from both reduced capital expense and increased module power output. Printed interconnect demonstrations with copper-indium-gallium-diselenide and cadmium-telluride solar cells show successful voltage addition and miniaturization down to 250 mu m. Material selection guidelines and considerations for commercialization are discussed.
C1 [Fields, J. D.; Pach, G.; Horowitz, K. A. W.; Stockert, T. R.; Woodhouse, M.; van Hest, M. F. A. M.] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
[Pach, G.] Univ Colorado, Dept Elect Comp & Energy Engn, Boulder, CO 80309 USA.
[Stockert, T. R.] Univ Wyoming, Dept Mech Engn, Laramie, WY 82071 USA.
RP van Hest, MFAM (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM maikel.van.hest@nrel.gov
FU Department of Energy through Bay Area Photovoltaic Consortium
[DE-EE0004946]; DOE
FX This work is supported by the Department of Energy through the Bay Area
Photovoltaic Consortium under Award Number DE-EE0004946. The authors
also acknowledge HelioVolt for providing an abundance of CIGS solar
cells, and the NREL CdTe group for providing CdTe cells. Special thanks
to Dr. Miguel Contreras, Dr. Matthew Reese, and Dr. Hasitha Mahabaduge
for assistance with the CIGS and CdTe cells, and also to Dr. Steve
Johnston for assistance with diagnostics and troubleshooting in initial
module builds. Additional acknowledgment goes to Linda Lung and the DOE
funded Science Undergraduate Laboratory Internship program, which helped
to advance the project by addition of talented young researchers, Greg
Pach and Talysa Stockert.
NR 26
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PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0927-0248
EI 1879-3398
J9 SOL ENERG MAT SOL C
JI Sol. Energy Mater. Sol. Cells
PD JAN
PY 2017
VL 159
BP 536
EP 545
DI 10.1016/j.solmat.2016.09.024
PG 10
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA EC3UZ
UT WOS:000388053600062
ER
PT J
AU Klinger, T
Alonso, A
Bozhenkov, S
Burhenn, R
Dinklage, A
Fuchert, G
Geiger, J
Grulke, O
Langenberg, A
Hirsch, M
Kocsis, G
Knauer, J
Kramer-Flecken, A
Laqua, H
Lazerson, S
Landreman, M
Maassberg, H
Marsen, S
Otte, M
Pablant, N
Pasch, E
Rahbarnia, K
Stange, T
Szepesi, T
Thomsen, H
Traverso, P
Velasco, JL
Wauters, T
Weir, G
Windisch, T
AF Klinger, T.
Alonso, A.
Bozhenkov, S.
Burhenn, R.
Dinklage, A.
Fuchert, G.
Geiger, J.
Grulke, O.
Langenberg, A.
Hirsch, M.
Kocsis, G.
Knauer, J.
Kraemer-Flecken, A.
Laqua, H.
Lazerson, S.
Landreman, M.
Maassberg, H.
Marsen, S.
Otte, M.
Pablant, N.
Pasch, E.
Rahbarnia, K.
Stange, T.
Szepesi, T.
Thomsen, H.
Traverso, P.
Velasco, J. L.
Wauters, T.
Weir, G.
Windisch, T.
CA Wendelstein 7-X Team
TI Performance and properties of the first plasmas of Wendelstein 7-X
SO PLASMA PHYSICS AND CONTROLLED FUSION
LA English
DT Article
DE stellarator; optimization; plasma performance; central electron root
ID STELLARATORS; CONFINEMENT
AB The optimized, superconducting stellarator Wendelstein 7-X went into operation and delivered first measurement data after 15 years of construction and one year commissioning. Errors in the magnet assembly were confirmend to be small. Plasma operation was started with 5 MW electron cyclotron resonance heating (ECRH) power and five inboard limiters. Core plasma values of T-e > 8 keV, T-i > 2 keV at line-integrated densities n approximate to 3 . 10(19) . m(-2) were achieved, exceeding the original expectations by about a factor of two. Indications for a core-electron-root were found. The energy confinement times are in line with the international stellarator scaling, despite unfavourable wall conditions, i.e. large areas of metal surfaces and particle sources from the limiter close to the plasma volume. Well controlled shorter hydrogen discharges at higher power (4 MW ECRH power for 1 s) and longer discharges at lower power (0.7 MW ECRH power for 6 s) could be routinely established after proper wall conditioning. The fairly large set of diagnostic systems running in the end of the 10 weeks operation campaign provided first insights into expected and unexpected physics of optimized stellarators.
C1 [Klinger, T.; Bozhenkov, S.; Burhenn, R.; Dinklage, A.; Fuchert, G.; Geiger, J.; Grulke, O.; Langenberg, A.; Hirsch, M.; Knauer, J.; Laqua, H.; Maassberg, H.; Marsen, S.; Otte, M.; Pasch, E.; Rahbarnia, K.; Stange, T.; Thomsen, H.; Weir, G.; Windisch, T.] Max Planck Inst Plasma Phys, Greifswald, Germany.
[Alonso, A.; Velasco, J. L.] CIEMAT, Lab Nacl Fus, Madrid, Spain.
[Kocsis, G.; Szepesi, T.] Wigner Res Ctr Phys, Budapest, Hungary.
[Kraemer-Flecken, A.] Res Ctr Julich, Julich, Germany.
[Lazerson, S.; Pablant, N.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[Landreman, M.] Univ Maryland, College Pk, MD 20742 USA.
[Traverso, P.] Auburn Univ, Auburn, AL 36849 USA.
[Wauters, T.] LPP ERM KMS, Brussels, Belgium.
RP Klinger, T (reprint author), Max Planck Inst Plasma Phys, Greifswald, Germany.
EM thomas.klinger@ipp.mpg.de
RI Velasco, Jose/F-9486-2012; Landreman, Matt/C-7684-2017
OI Velasco, Jose/0000-0001-8510-1422; Landreman, Matt/0000-0002-7233-577X
FU Euratom research and training programme [633053]
FX This work has been carried out within the framework of the EUROfusion
Consortium and has received funding from the Euratom research and
training programme 2014-2018 under grant agreement No 633053. The views
and opinions expressed herein do not necessarily reflect those of the
European Commission.
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PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0741-3335
EI 1361-6587
J9 PLASMA PHYS CONTR F
JI Plasma Phys. Control. Fusion
PD JAN
PY 2017
VL 59
IS 1
SI SI
AR 014018
DI 10.1088/0741-3335/59/1/014018
PG 8
WC Physics, Fluids & Plasmas
SC Physics
GA EA7GR
UT WOS:000386799100001
ER
PT J
AU Yang, Y
Yang, F
Hu, HR
Lee, SS
Wang, Y
Zhao, HR
Zeng, DH
Zhou, BA
Hao, SJ
AF Yang, Ying
Yang, Feng
Hu, Hongru
Lee, Sungsik
Wang, Yue
Zhao, Hairui
Zeng, Dehong
Zhou, Biao
Hao, Shijie
TI Dilute NiO/carbon nanofiber composites derived from metal organic
framework fibers as electrode materials for supercapacitors
SO CHEMICAL ENGINEERING JOURNAL
LA English
DT Article
DE Metal organic framework; Nickel oxide; Carbon nanofiber; In situ
synthesis; Capacitance
ID LITHIUM-ION BATTERIES; HIGH-PERFORMANCE PSEUDOCAPACITORS; PARTIALLY
GRAPHITIC STRUCTURE; MESOPOROUS CARBON; NANOPOROUS CARBON;
HIGH-CAPACITY; NICKEL-OXIDE; GRAPHENE; ANODES; ROUTE
AB A new type of carbon nanofiber (CNF) dominated electrode materials decorated with dilute NiO particles (NiO/CNF) has been in situ fabricated by direct pyrolysis of Ni, Zn-containing metal organic framework fibers, which are skillfully constructed by assembling different proportional NiCl2.6H(2)O and Zn (Ac)(2).2H(2)O with trimesic acid in the presence of N,N-dimethylformamide. With elegant combination of advantages of CNF and evenly dispersed NiO particles, as well as successful modulation of conductivity and,porosity of final composites, our NiO/CNF composites display well-defined capacitive features. A high capacitance of 14,926 F g(-1) was obtained in 6 M KOH electrolyte when the contribution from 0.43 wt% NiO was considered alone, contributing to over 35% of the total capacitance (234 F g(-1)). This significantly exceeds its theoretical specific capacitance of 2584 F g(-1). It has been established from the Ragone plot that a largest energy density of 33.4 Wh kg(-1) was obtained at the current density of 0.25 A g(-1). Furthermore, such composite electrode materials show good rate capability and outstanding cycling stability up to 5000 times (only 10% loss). The present study provides a brand-new approach to design a high capacitance and stable supercapacitor electrode and the concept is extendable to other composite materials. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Yang, Ying; Yang, Feng; Hu, Hongru; Wang, Yue; Zhao, Hairui; Zeng, Dehong; Zhou, Biao; Hao, Shijie] China Univ Petr, State Key Lab Heavy Oil Proc, Beijing 102249, Peoples R China.
[Lee, Sungsik] Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Yang, Y (reprint author), 18 Fuxue Rd, Beijing 102249, Peoples R China.
EM catalyticscience@163.com
FU National Natural Science Foundation of China [21303229, 51471187,
51571211]; Beijing Natural Science Foundation [2152025, 2152026];
Science Foundation of China University of Petroleum, Beijing
[2462013YJRC018, 2462013YJRC005]; U.S. DOE [DE-AC02-06CH11357]
FX The authors gratefully acknowledge financial support from the National
Natural Science Foundation of China (21303229, 51471187, 51571211),
Beijing Natural Science Foundation (2152025, 2152026), and Science
Foundation of China University of Petroleum, Beijing (2462013YJRC018,
2462013YJRC005). Use of the Advanced Photon Source, an Office of Science
User Facility operated for the U.S. Department of Energy (DOE) Office of
Science by Argonne National Laboratory, supported by the U.S. DOE under
Contract No. DE-AC02-06CH11357, is also acknowledged.
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PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 1385-8947
EI 1873-3212
J9 CHEM ENG J
JI Chem. Eng. J.
PD JAN 1
PY 2017
VL 307
BP 583
EP 592
DI 10.1016/j.cej.2016.08.132
PG 10
WC Engineering, Environmental; Engineering, Chemical
SC Engineering
GA EB3VY
UT WOS:000387298200062
ER
PT J
AU Ihlefeld, JF
Michael, JR
McKenzie, BB
Scrymgeour, DA
Maria, JP
Paisley, EA
Kitahara, AR
AF Ihlefeld, Jon F.
Michael, Joseph R.
McKenzie, Bonnie B.
Scrymgeour, David A.
Maria, Jon-Paul
Paisley, Elizabeth A.
Kitahara, Andrew R.
TI Domain imaging in ferroelectric thin films via channeling-contrast
backscattered electron microscopy
SO JOURNAL OF MATERIALS SCIENCE
LA English
DT Article
ID ZIRCONATE-TITANATE CERAMICS; BARIUM-TITANATE; WALLS; DYNAMICS;
CAPACITORS; CONDUCTION; CRYSTALS
AB Ferroelastic domain walls provide opportunities for deterministically controlling mechanical, optical, electrical, and thermal energy. Domain wall characterization in micro- and nanoscale systems, where their spacing may be of the order of 100 nm or less is presently limited to only a few techniques, such as piezoresponse force microscopy and transmission electron microscopy. These respective techniques cannot, however, independently characterize domain polarization orientation and domain wall motion in technologically relevant capacitor structures or in a non-destructive manner, thus presenting a limitation of their utility. In this work, we show how backscatter scanning electron microscopy utilizing channeling contrast yield can image the ferroelastic domain structure of ferroelectric films with domain wall spacing as narrow as 10 nm. Combined with electron backscatter diffraction to identify grain orientations, this technique provides information on domain orientation and domain wall type that cannot be readily measured using conventional non-destructive methods. In addition to grain orientation identification, this technique enables dynamic domain structure changes to be observed in functioning capacitors utilizing electrodes that are transparent to the high-energy backscattered electrons. This non-destructive, high-resolution domain imaging technique is applicable to a wide variety of ferroelectric thin films and a multitude of material systems where nanometer-scale crystallographic twin characterization is required.
C1 [Ihlefeld, Jon F.; Paisley, Elizabeth A.; Kitahara, Andrew R.] Sandia Natl Labs, Elect Opt & Nano Mat Dept, Albuquerque, NM 87185 USA.
[Michael, Joseph R.; McKenzie, Bonnie B.] Sandia Natl Labs, Mat Performance & Characterizat Dept, Albuquerque, NM 87185 USA.
[Scrymgeour, David A.] Sandia Natl Labs, Microsyst Sci & Technol Ctr, Albuquerque, NM 87185 USA.
[Maria, Jon-Paul] North Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA.
RP Ihlefeld, JF (reprint author), Sandia Natl Labs, Elect Opt & Nano Mat Dept, Albuquerque, NM 87185 USA.
EM jihlefe@sandia.gov
RI Scrymgeour, David/C-1981-2008
FU US Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; NSF [DMR-1508191]
FX Critical review of this manuscript by Dr. Stanley Chou is greatly
appreciated. This research was supported by the Laboratory Directed
Research and Development program at Sandia National Laboratories, a
multi-mission laboratory managed and operated by Sandia Corporation, a
wholly owned subsidiary of Lockheed Martin Corporation, for the US
Department of Energy's National Nuclear Security Administration under
contract DE-AC04-94AL85000. J-P.M. acknowledges support from NSF
contract DMR-1508191.
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U1 19
U2 19
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0022-2461
EI 1573-4803
J9 J MATER SCI
JI J. Mater. Sci.
PD JAN
PY 2017
VL 52
IS 2
BP 1071
EP 1081
DI 10.1007/s10853-016-0402-x
PG 11
WC Materials Science, Multidisciplinary
SC Materials Science
GA EB2YA
UT WOS:000387227300037
ER
PT J
AU Chen, CF
Pokharel, R
Brand, MJ
Tegtmeier, EL
Clausen, B
Dombrowski, DE
Ickes, TL
Lebensohn, RA
AF Chen, Ching-Fong
Pokharel, Reeju
Brand, Michael J.
Tegtmeier, Eric L.
Clausen, Bjorn
Dombrowski, David E.
Ickes, T. L.
Lebensohn, Ricardo A.
TI Processing and consolidation of copper/tungsten
SO JOURNAL OF MATERIALS SCIENCE
LA English
DT Article
ID POLYCRYSTALS; POWDERS; GRAINS; DAMAGE
AB We developed a copper/tungsten (Cu/W) composite for mesoscale Materials Science applications using the novel High-Energy Diffraction Microscopy (HEDM) technique. Argon-atomized copper powder was selected as the starting raw powder and screened to remove the extremely large particle fraction. Tungsten particles were collected by milling and screening the -325 mesh tungsten powder between 500 and 635 mesh sieves. Hot pressing of screened Cu powder was performed at 900 A degrees C in Ar/4 %H-2 atmosphere. XRD and ICP results show that the hot-pressed Cu sample consists of about 5 vol% Cu2O, which is caused by the presence of oxygen on the surface of the starting Cu powder. Hot pressing the copper powder in a pure hydrogen atmosphere was successful in removing most of the surface oxygen. This process was also implemented for hot pressing the Cu/W composite. The density of the Cu/W composites hot pressed at 950 A degrees C in pure hydrogen was about 94 % of the theoretical density (TD). The hot-pressed Cu/W composites were further hot isostatic pressed at 1050 A degrees C in argon atmosphere, which results in 99.6 % of the TD with the designed Cu grain size and W particle distribution. Tensile specimens with D-notch were machined using the wire EDM method. The processing and consolidation of these materials will be discussed in detail. The HEDM images are also showed and discussed.
C1 [Chen, Ching-Fong; Pokharel, Reeju; Brand, Michael J.; Tegtmeier, Eric L.; Clausen, Bjorn; Dombrowski, David E.; Lebensohn, Ricardo A.] Los Alamos Natl Lab, Mat Sci & Technol Div, POB 1663, Los Alamos, NM 87545 USA.
[Ickes, T. L.] Los Alamos Natl Lab, Appl Engn Technol Div, Los Alamos, NM 87545 USA.
RP Chen, CF (reprint author), Los Alamos Natl Lab, Mat Sci & Technol Div, POB 1663, Los Alamos, NM 87545 USA.
EM cchen@lanl.gov
RI Lebensohn, Ricardo/A-2494-2008
OI Lebensohn, Ricardo/0000-0002-3152-9105
FU LANL's Laboratory Directed Research and Development (LDRD) program
[20140114DR]
FX This work was financially supported by LANL's Laboratory Directed
Research and Development (LDRD) program (Project 20140114DR). The
authors would like to thank Franklin Fierro for allowing the use of wire
EDM for the samples and specimens as well as the tensile testing
performed by Manny Lovato. The use of F2 Beamline at CHESS is
acknowledged. The authors also thank Darren Dale for assisting with HEDM
measurements at CHESS, and M.K.A. Koker for assisting with FABLE
software.
NR 12
TC 0
Z9 0
U1 4
U2 4
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0022-2461
EI 1573-4803
J9 J MATER SCI
JI J. Mater. Sci.
PD JAN
PY 2017
VL 52
IS 2
BP 1172
EP 1182
DI 10.1007/s10853-016-0413-7
PG 11
WC Materials Science, Multidisciplinary
SC Materials Science
GA EB2YA
UT WOS:000387227300046
ER
PT J
AU Meezan, NB
Edwards, MJ
Hurricane, OA
Patel, PK
Callahan, DA
Hsing, WW
Town, RPJ
Albert, F
Amendt, PA
Hopkins, LFB
Bradley, DK
Casey, DT
Clark, DS
Dewald, EL
Dittrich, TR
Divol, L
Doppner, T
Field, JE
Haan, SW
Hall, GN
Hammel, BA
Hinkel, DE
Ho, DD
Hohenberger, M
Izumi, N
Jones, OS
Khan, SF
Kline, JL
Kritcher, AL
Landen, OL
LePape, S
Ma, T
MacKinnon, AJ
MacPhee, AG
Masse, L
Milovich, JL
Nikroo, A
Pak, A
Park, HS
Peterson, JL
Robey, HF
Ross, JS
Salmonson, JD
Smalyuk, VA
Spears, BK
Stadermann, M
Suter, LJ
Thomas, CA
Tommasini, R
Turnbull, DP
Weber, CR
AF Meezan, N. B.
Edwards, M. J.
Hurricane, O. A.
Patel, P. K.
Callahan, D. A.
Hsing, W. W.
Town, R. P. J.
Albert, F.
Amendt, P. A.
Hopkins, L. F. Berzak
Bradley, D. K.
Casey, D. T.
Clark, D. S.
Dewald, E. L.
Dittrich, T. R.
Divol, L.
Doppner, T.
Field, J. E.
Haan, S. W.
Hall, G. N.
Hammel, B. A.
Hinkel, D. E.
Ho, D. D.
Hohenberger, M.
Izumi, N.
Jones, O. S.
Khan, S. F.
Kline, J. L.
Kritcher, A. L.
Landen, O. L.
LePape, S.
Ma, T.
MacKinnon, A. J.
MacPhee, A. G.
Masse, L.
Milovich, J. L.
Nikroo, A.
Pak, A.
Park, H-S
Peterson, J. L.
Robey, H. F.
Ross, J. S.
Salmonson, J. D.
Smalyuk, V. A.
Spears, B. K.
Stadermann, M.
Suter, L. J.
Thomas, C. A.
Tommasini, R.
Turnbull, D. P.
Weber, C. R.
TI Indirect drive ignition at the National Ignition Facility
SO PLASMA PHYSICS AND CONTROLLED FUSION
LA English
DT Article
DE inertial confinement fusion; lasers; plasmas
ID INERTIAL-CONFINEMENT FUSION; ACCELERATION; INSTABILITY; IMPLOSION
AB This paper reviews scientific results from the pursuit of indirect drive ignition on the National Ignition Facility (NIF) and describes the program's forward looking research directions. In indirect drive on the NIF, laser beams heat an x-ray enclosure called a hohlraum that surrounds a spherical pellet. X-ray radiation ablates the surface of the pellet, imploding a thin shell of deuterium/ tritium (DT) that must accelerate to high velocity (v > 350 km s(-1)) and compress by a factor of several thousand. Since 2009, substantial progress has been made in understanding the major challenges to ignition: Rayleigh Taylor (RT) instability seeded by target imperfections; and low-mode asymmetries in the hohlraum x-ray drive, exacerbated by laser-plasma instabilities (LPI). Requirements on velocity, symmetry, and compression have been demonstrated separately on the NIF but have not been achieved simultaneously. We now know that the RT instability, seeded mainly by the capsule support tent, severely degraded DT implosions from 2009-2012. Experiments using a ` high-foot' drive with demonstrated lower RT growth improved the thermonuclear yield by a factor of 10, resulting in yield amplification due to alpha particle heating by more than a factor of 2. However, large time dependent drive asymmetry in the LPI-dominated hohlraums remains unchanged, preventing further improvements. High fidelity 3D hydrodynamic calculations explain these results. Future research efforts focus on improved capsule mounting techniques and on hohlraums with little LPI and controllable symmetry. In parallel, we are pursuing improvements to the basic physics models used in the design codes through focused physics experiments.
C1 [Meezan, N. B.; Edwards, M. J.; Hurricane, O. A.; Patel, P. K.; Callahan, D. A.; Hsing, W. W.; Town, R. P. J.; Albert, F.; Amendt, P. A.; Hopkins, L. F. Berzak; Bradley, D. K.; Casey, D. T.; Clark, D. S.; Dewald, E. L.; Dittrich, T. R.; Divol, L.; Doppner, T.; Field, J. E.; Haan, S. W.; Hall, G. N.; Hammel, B. A.; Hinkel, D. E.; Ho, D. D.; Hohenberger, M.; Izumi, N.; Jones, O. S.; Khan, S. F.; Kritcher, A. L.; Landen, O. L.; LePape, S.; Ma, T.; MacPhee, A. G.; Masse, L.; Milovich, J. L.; Nikroo, A.; Pak, A.; Park, H-S; Peterson, J. L.; Robey, H. F.; Ross, J. S.; Salmonson, J. D.; Smalyuk, V. A.; Spears, B. K.; Stadermann, M.; Suter, L. J.; Thomas, C. A.; Tommasini, R.; Weber, C. R.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
[Kline, J. L.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
[MacKinnon, A. J.] SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA.
[Turnbull, D. P.] Univ Rochester, Laser Energet Lab, 250 East River Rd, Rochester, NY 14623 USA.
RP Meezan, NB (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
EM meezan1@llnl.gov
RI Albert, Felicie/G-2645-2013; Tommasini, Riccardo/A-8214-2009
OI Tommasini, Riccardo/0000-0002-1070-3565
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]
FX This work was performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory under Contract
DE-AC52-07NA27344.
NR 79
TC 1
Z9 1
U1 48
U2 48
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0741-3335
EI 1361-6587
J9 PLASMA PHYS CONTR F
JI Plasma Phys. Control. Fusion
PD JAN
PY 2017
VL 59
IS 1
SI SI
AR 014021
DI 10.1088/0741-3335/59/1/014021
PG 13
WC Physics, Fluids & Plasmas
SC Physics
GA EB4IP
UT WOS:000387334900002
ER
PT J
AU Furnish, TA
Mehta, A
Van Campen, D
Bufford, DC
Hattar, K
Boyce, BL
AF Furnish, T. A.
Mehta, A.
Van Campen, D.
Bufford, D. C.
Hattar, K.
Boyce, B. L.
TI The onset and evolution of fatigue-induced abnormal grain growth in
nanocrystalline Ni-Fe
SO JOURNAL OF MATERIALS SCIENCE
LA English
DT Article
ID TRANSMISSION ELECTRON-MICROSCOPE; ROTATIONAL DEFORMATION;
MECHANICAL-PROPERTIES; PLASTIC-DEFORMATION; FRACTURE-TOUGHNESS; CYCLIC
DEFORMATION; THERMAL-STABILITY; BOUNDARY MOTION; BEHAVIOR; METALS
AB Conventional structural metals suffer from fatigue-crack initiation through dislocation activity which forms persistent slip bands leading to notch-like extrusions and intrusions. Ultrafine-grained and nanocrystalline metals can potentially exhibit superior fatigue-crack initiation resistance by suppressing these cumulative dislocation activities. Prior studies on these metals have confirmed improved high-cycle fatigue performance. In the case of nano-grained metals, analyses of subsurface crack initiation sites have indicated that the crack nucleation is associated with abnormally large grains. However, these post-mortem analyses have led to only speculation about when abnormal grain growth occurs (e.g., during fatigue, after crack initiation, or during crack growth). In this study, a recently developed synchrotron X-ray diffraction technique was used to detect the onset and progression of abnormal grain growth during stress-controlled fatigue loading. This study provides the first direct evidence that the grain coarsening is cyclically induced and occurs well before final fatigue failure-our results indicate that the first half of the fatigue life was spent prior to the detectable onset of abnormal grain growth, while the second half was spent coarsening the nanocrystalline structure and cyclically deforming the abnormally large grains until crack initiation. Post-mortem fractography, coupled with cycle-dependent diffraction data, provides the first details regarding the kinetics of this abnormal grain growth process during high-cycle fatigue testing. Precession electron diffraction images collected in a transmission electron microscope after the in situ fatigue experiment also confirm the X-ray evidence that the abnormally large grains contain substantial misorientation gradients and sub-grain boundaries.
C1 [Furnish, T. A.; Boyce, B. L.] Sandia Natl Labs, Mat Sci & Engn, POB 5800, Albuquerque, NM 87185 USA.
[Mehta, A.; Van Campen, D.] Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA.
[Bufford, D. C.; Hattar, K.] Sandia Natl Labs, Phys Chem & Nano Sci, Albuquerque, NM 87185 USA.
RP Boyce, BL (reprint author), Sandia Natl Labs, Mat Sci & Engn, POB 5800, Albuquerque, NM 87185 USA.
EM blboyce@sandia.gov
FU United States Department of Energy, Office of Basic Energy Sciences
(BES), Division of Materials Science and Engineering [15013170]; United
States Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX This work was funded by the United States Department of Energy, Office
of Basic Energy Sciences (BES) (Grant No. 15013170), Division of
Materials Science and Engineering. X-ray diffraction experiments were
performed at the Stanford Synchrotron Radiation Lightsource, an Office
of Science User Facility operated for the United States Department of
Energy by Stanford University. FIB notch preparation and electron
microscopy were performed under proposal numbers C2014B0049 and
U2015B0093 at the Center for Integrated Nanotechnologies, a United
States Department of Energy, Office of Basic Energy Sciences User
Facility. The authors thank Drs. John Sharon, Cristian Arrington, and
Jamin Pillars for material synthesis and Patricia Dickerson for TEM
sample preparation via FIB. Sandia is a multiprogram laboratory operated
by Sandia Corporation, a Lockheed Martin Company, for the United States
Department of Energy's National Nuclear Security Administration under
Contract No. DE-AC04-94AL85000.
NR 51
TC 0
Z9 0
U1 30
U2 30
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0022-2461
EI 1573-4803
J9 J MATER SCI
JI J. Mater. Sci.
PD JAN
PY 2017
VL 52
IS 1
BP 46
EP 59
DI 10.1007/s10853-016-0437-z
PG 14
WC Materials Science, Multidisciplinary
SC Materials Science
GA EA7CL
UT WOS:000386785600003
ER
PT J
AU Fowler, TK
Ryutov, D
AF Fowler, T. Kenneth
Ryutov, Dmitri
TI Richard Freeman Post (14 November 1918-7 April 2015) Obituary
SO NUCLEAR FUSION
LA English
DT Biographical-Item
C1 [Fowler, T. Kenneth] Univ Calif Berkeley, Berkeley, CA 94720 USA.
[Ryutov, Dmitri] Lawrence Livermore Natl Lab, Lawrence, KS USA.
RP Fowler, TK (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA.
EM Fowler5@aol.com; ryutov1@llnl.gov
NR 3
TC 0
Z9 0
U1 3
U2 3
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0029-5515
EI 1741-4326
J9 NUCL FUSION
JI Nucl. Fusion
PD JAN
PY 2017
VL 57
IS 1
AR 010401
DI 10.1088/0029-5515/57/1/010401
PG 1
WC Physics, Fluids & Plasmas
SC Physics
GA DZ8NG
UT WOS:000386126500001
ER
PT J
AU Frassinetti, L
Beurskens, MNA
Saarelma, S
Boom, JE
Delabie, E
Flanagan, J
Kempenaars, M
Giroud, C
Lomas, P
Meneses, L
Maggi, CS
Menmuir, S
Nunes, I
Rimini, F
Stefanikova, E
Urano, H
Verdoolaege, G
AF Frassinetti, L.
Beurskens, M. N. A.
Saarelma, S.
Boom, J. E.
Delabie, E.
Flanagan, J.
Kempenaars, M.
Giroud, C.
Lomas, P.
Meneses, L.
Maggi, C. S.
Menmuir, S.
Nunes, I.
Rimini, F.
Stefanikova, E.
Urano, H.
Verdoolaege, G.
CA JET Contributors
TI Global and pedestal confinement and pedestal structure in dimensionless
collisionality scans of low-triangularity H-mode plasmas in JET-ILW
SO NUCLEAR FUSION
LA English
DT Article
DE JET-ILW; confinement; collisionality; pedestal; stability
ID ITER-LIKE WALL; DIII-D; NONDIMENSIONAL TRANSPORT; ENERGY CONFINEMENT;
EDGE; TOKAMAK; INSTABILITIES; DENSITY; PHYSICS; BETA
AB A dimensionless collisionality scan in low-triangularity plasmas in the Joint European Torus with the ITER-like wall (JET-ILW) has been performed. The increase of the normalized energy confinement (defined as the ratio between thermal energy confinement and Bohm confinement time) with decreasing collisionality is observed. Moreover, at low collisionality, a confinement factor H-98, comparable to JET-C, is achieved. At high collisionality, the low normalized confinement is related to a degraded pedestal stability and a reduction in the density-profile peaking.
The increase of normalized energy confinement is due to both an increase in the pedestal and in the core regions. The improvement in the pedestal is related to the increase of the stability. The improvement in the core is driven by (i) the core temperature increase via the temperature-profile stiffness and by (ii) the density-peaking increase driven by the low collisionality.
Pedestal stability analysis performed with the ELITE (edge-localized instabilities in tokamak equilibria) code has a reasonable qualitative agreement with the experimental results. An improvement of the pedestal stability with decreasing collisionality is observed. The improvement is ascribed to the reduction of the pedestal width, the increase of the bootstrap current and the reduction of the relative shift between the positions of the pedestal density and pedestal temperature.
The EPED1 model predictions for the pedestal pressure height are qualitatively well correlated with the experimental results. Quantitatively, EPED1 overestimates the experimental pressure by 15-35%. In terms of the pedestal width, a correct agreement (within 10-15%) between the EPED1 and the experimental width is found at low collisionality. The experimental pedestal width increases with collisionality. Nonetheless, an extrapolation to low-collisionality values suggests that the width predictions from the KBM constraint are reasonable for ITER.
C1 [Frassinetti, L.; Beurskens, M. N. A.; Saarelma, S.; Boom, J. E.; Delabie, E.; Flanagan, J.; Kempenaars, M.; Giroud, C.; Lomas, P.; Meneses, L.; Maggi, C. S.; Menmuir, S.; Nunes, I.; Rimini, F.; Stefanikova, E.; Urano, H.; Verdoolaege, G.; JET Contributors] EUROfus Consortium, Culham Sci Ctr, JET, Abingdon OX14 3DB, Oxon, England.
[Frassinetti, L.; Stefanikova, E.] KTH Royal Inst Technol, Div Fus Plasma Phys, Stockholm, SE, Sweden.
[Beurskens, M. N. A.] Max Planck Inst Plasma Phys, D-17491 Greifswald, Germany.
[Beurskens, M. N. A.; Saarelma, S.; Flanagan, J.; Kempenaars, M.; Giroud, C.; Lomas, P.; Maggi, C. S.; Menmuir, S.; Rimini, F.] Culham Sci Ctr, CCFE, Abingdon OX14 3DB, Oxon, England.
[Boom, J. E.] Max Planck Inst Plasma Phys, Boltzmannstr 2, D-85748 Garching, Germany.
[Delabie, E.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Meneses, L.; Nunes, I.] Univ Lisbon, IST, Inst Plasmas & Fusao Nucl, P-1049001 Lisbon, Portugal.
[Urano, H.] Japan Atom Energy Agcy, Naka Fus Inst, Naka, Ibaraki 3110193, Japan.
[Verdoolaege, G.] Univ Ghent, Dept Appl Phys, Sint Pietersnieuwstr 41, B-9000 Ghent, Belgium.
[Verdoolaege, G.] Royal Mil Acad LPP ERM KMS, Plasma Phys Lab, Ave Renaissancelaan 30, B-1000 Brussels, Belgium.
RP Frassinetti, L (reprint author), EUROfus Consortium, Culham Sci Ctr, JET, Abingdon OX14 3DB, Oxon, England.; Frassinetti, L (reprint author), KTH Royal Inst Technol, Div Fus Plasma Phys, Stockholm, SE, Sweden.
EM lorenzo.frassinetti@ee.kth.se
RI Nunes, Isabel/D-1627-2017;
OI Frassinetti, Lorenzo/0000-0002-9546-4494; Nunes,
Isabel/0000-0003-0542-1982
FU Euratom research and training programme [633053]
FX This work has been carried out within the framework of the EUROfusion
Consortium and has received funding from the Euratom research and
training programme 2014-2018 under grant agreement No 633053. The views
and opinions expressed herein do not necessarily reflect those of the
European Commission.
NR 91
TC 0
Z9 0
U1 10
U2 10
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0029-5515
EI 1741-4326
J9 NUCL FUSION
JI Nucl. Fusion
PD JAN
PY 2017
VL 57
IS 1
AR 061012
DI 10.1088/0029-5515/57/1/016012
PG 16
WC Physics, Fluids & Plasmas
SC Physics
GA DZ8NI
UT WOS:000386126700004
ER
PT J
AU Gobbin, M
Valisa, M
White, RB
Cester, D
Marrelli, L
Nocente, M
Piovesan, P
Stevanato, L
Puiatti, ME
Zuin, M
AF Gobbin, M.
Valisa, M.
White, R. B.
Cester, D.
Marrelli, L.
Nocente, M.
Piovesan, P.
Stevanato, L.
Puiatti, M. E.
Zuin, M.
TI Runaway electron mitigation by applied magnetic perturbations in RFX-mod
tokamak plasmas
SO NUCLEAR FUSION
LA English
DT Article
DE runaway electrons; tokamak; disruption; MHD; magnetic perturbations
ID DIII-D
AB Thanks to its advanced system for the control of magnetohydrodynamic modes, the RFX-mod device run as a tokamak is particularly suited to the study of the possible impact on runaway electron (RE) de-confinement in response to applied magnetic perturbations. This paper shows that during the flat-top phase in RFX-mod discharges, with a plasma current of I-p similar to 150 kA and a low density (n(e)< 10(19) m(-3)), the amount of REs scales with the m = 2, n = 1 perturbation both in q(a) < 2 and q(a) > 2 plasmas. Similar results have also been obtained in post-disruption phases, but still with limited statistics. The mechanisms generating REs and the effect of magnetic perturbation (MP) on their confinement are interpreted by numerical simulations with the relativistic guiding center code ORBIT. The role played by different magnetic equilibria on the energy of REs and on their loss rates is investigated. ORBIT simulations indicate that RE-enhanced losses are associated with a raised level of stochasticity, the effect being more pronounced when the MP amplitude is higher and internally resonant.
C1 [Gobbin, M.; Valisa, M.; Marrelli, L.; Piovesan, P.; Puiatti, M. E.; Zuin, M.] Assoc EURATOM ENEA Fus Corso Stati Uniti 4, Consorzio RFX, I-35127 Padua, Italy.
[White, R. B.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
[Cester, D.; Stevanato, L.] Univ Padua, Dipartimento Fis, Padua, Italy.
[Nocente, M.] Univ Milano Bicocca, Dipartimento Fis, Milan, Italy.
RP Gobbin, M (reprint author), Assoc EURATOM ENEA Fus Corso Stati Uniti 4, Consorzio RFX, I-35127 Padua, Italy.
EM marco.gobbin@igi.cnr.it
FU European Union Horizon 2020 research and innovation programme [633053]
FX We would like to thank P. Zanca for computing the eigen-function modes
used in the simulations. The relativistic version of ORBIT was developed
in collaboration with R.B. White during a visit to the Princeton Plasma
Physics Laboratory (Princeton, NJ, USA). This work has been carried out
within the framework of the EUROfusion Consortium and has received
funding from the European Union Horizon 2020 research and innovation
programme under grant agreement number 633053. The views and opinions
expressed herein do not necessarily reflect those of the European
Commission.
NR 36
TC 0
Z9 0
U1 6
U2 6
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0029-5515
EI 1741-4326
J9 NUCL FUSION
JI Nucl. Fusion
PD JAN
PY 2017
VL 57
IS 1
AR 016014
DI 10.1088/0029-5515/57/1/016014
PG 16
WC Physics, Fluids & Plasmas
SC Physics
GA EA3GT
UT WOS:000386490700002
ER
PT J
AU Ma, CH
Xu, XQ
AF Ma, C. H.
Xu, X. Q.
TI Global kinetic ballooning mode simulations in BOUT++
SO NUCLEAR FUSION
LA English
DT Article
DE KBM; ELMs; turbulence
ID TOKAMAK; TRANSPORT; STABILITY; PLASMAS; SHEAR; BETA
AB We report on simulation results of a 3 + 1 gyro-Landau-fluid (GLF) model in BOUT++ framework, which contributes to increasing the physics understanding of the edge turbulence. We find that there is no second stability region of kinetic ballooning modes (KBM) in the concentric circular geometry. The first unstable beta of KBM decreases below the ideal ballooning mode threshold with increasing eta(i). In order to study the KBM in the real tokamak equilibrium, we find that the approximation of shifted circular geometry (beta << epsilon(2)) is not valid for a high beta global equilibrium near the second stability region of KBM. Thus we generate a series of real equilibria from a global equilibrium solver CORSICA, including both Shafranov shift and elongation effects, but not including bootstrap current. In these real equilibria, the second stability region of KBM are observed in our global linear simulations. The most unstable mode for different beta are the same while the mode number spectrum near the second stability region is wider than the case near the first stability region. The nonlinear simulations show that the energy loss of an ELM keeps increasing with beta, because the linear drive of the turbulence remains strong for the case near the second stability region during profile evolution.
C1 [Ma, C. H.] Peking Univ, Fus Simulat Ctr, Sch Phys, Beijing, Peoples R China.
[Ma, C. H.] Peking Univ, State Key Lab Nucl Phys & Technol, Sch Phys, Beijing, Peoples R China.
[Ma, C. H.; Xu, X. Q.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Ma, CH (reprint author), Peking Univ, Fus Simulat Ctr, Sch Phys, Beijing, Peoples R China.; Ma, CH (reprint author), Peking Univ, State Key Lab Nucl Phys & Technol, Sch Phys, Beijing, Peoples R China.
EM chma@pku.edu.cn
FU US DoE [DE-AC52-7NA27344]; NSFC [11261140326]; ITER-China Program
[2013GB111000, 2013GB112006]
FX The authors wish to acknowledge P.B. Snyder, P. Diamond, A. Dimits, M.V.
Umansky, I. Joseph, and X.G. Wang for useful discussions. This work was
performed under the auspices of the US DoE by LLNL under Contract
DE-AC52-7NA27344 and is supported by NSFC (11261140326), and the
ITER-China Program (2013GB111000, 2013GB112006).
NR 27
TC 0
Z9 0
U1 7
U2 7
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0029-5515
EI 1741-4326
J9 NUCL FUSION
JI Nucl. Fusion
PD JAN
PY 2017
VL 57
IS 1
AR 016002
DI 10.1088/0029-5515/57/1/016002
PG 10
WC Physics, Fluids & Plasmas
SC Physics
GA DZ2HS
UT WOS:000385663500001
ER
PT J
AU Pace, DC
Collins, CS
Crowley, B
Grierson, BA
Heidbrink, WW
Pawley, C
Rauch, J
Scoville, JT
Van Zeeland, MA
Zhu, YB
AF Pace, D. C.
Collins, C. S.
Crowley, B.
Grierson, B. A.
Heidbrink, W. W.
Pawley, C.
Rauch, J.
Scoville, J. T.
Van Zeeland, M. A.
Zhu, Y. B.
CA DIII-D Team
TI Control of power, torque, and instability drive using in-shot variable
neutral beam energy in tokamaks
SO NUCLEAR FUSION
LA English
DT Letter
DE neutral beam; tokamak; Alfven wave; plasma control
ID INJECTORS; SYSTEM; DESIGN
AB A first-ever demonstration of controlling power and torque injection through time evolution of neutral beam energy has been achieved in recent experiments at the DIII-D tokamak (Luxon 2002 Nucl. Fusion 42 614). Pre-programmed waveforms for the neutral beam energy produce power and torque inputs that can be separately and continuously controlled. Previously, these inputs were tailored using on/off modulation of neutral beams resulting in large perturbations (e.g. power swings of over 1 MW). The new method includes, importantly for experiments, the ability to maintain a fixed injected power while varying the torque. In another case, different beam energy waveforms (in the same plasma conditions) produce significant changes in the observed spectrum of beam ion-driven instabilities. Measurements of beam ion loss show that one energy waveform results in the complete avoidance of coherent losses due to Alfvenic instabilities. This new method of neutral beam operation is intended for further application in a variety of DIII-D experiments including those concerned with high-performance steady state scenarios, fast particle effects, and transport in the low torque regime. Developing this capability would provide similar benefits and improved plasma control for other magnetic confinement fusion facilities.
C1 [Pace, D. C.; Crowley, B.; Pawley, C.; Rauch, J.; Scoville, J. T.; Van Zeeland, M. A.] Gen Atom Co, POB 85608, San Diego, CA 92186 USA.
[Collins, C. S.; Heidbrink, W. W.; Zhu, Y. B.] Univ Calif Irvine, Irvine, CA 92697 USA.
[Grierson, B. A.] Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
RP Pace, DC (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA.
EM pacedc@fusion.gat.com
NR 25
TC 0
Z9 0
U1 11
U2 11
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0029-5515
EI 1741-4326
J9 NUCL FUSION
JI Nucl. Fusion
PD JAN
PY 2017
VL 57
IS 1
AR 014001
DI 10.1088/0029-5515/57/1/014001
PG 6
WC Physics, Fluids & Plasmas
SC Physics
GA DZ2HZ
UT WOS:000385664200001
ER
PT J
AU Wingen, A
Wilcox, RS
Cianciosa, MR
Seal, SK
Unterberg, EA
Hanson, JM
Hirshman, SP
Lao, LL
Logan, NC
Paz-Soldan, C
Shafer, MW
AF Wingen, A.
Wilcox, R. S.
Cianciosa, M. R.
Seal, S. K.
Unterberg, E. A.
Hanson, J. M.
Hirshman, S. P.
Lao, L. L.
Logan, N. C.
Paz-Soldan, C.
Shafer, M. W.
TI Use of reconstructed 3D VMEC equilibria to match effects of toroidally
rotating discharges in DIII-D
SO NUCLEAR FUSION
LA English
DT Article
DE VMEC; DIII-D; equilibrium reconstruction; plasma response
ID TOKAMAKS
AB A technique for tokamak equilibrium reconstructions is used for multiple DIII-D discharges, including L-mode and H-mode cases when weakly 3D fields (delta B/B similar to 10(-3)) are applied. The technique couples diagnostics to the non-linear, ideal MHD equilibrium solver VMEC, using the V3FIT code, to find the most likely 3D equilibrium based on a suite of measurements. It is demonstrated that V3FIT can be used to find non-linear 3D equilibria that are consistent with experimental measurements of the plasma response to very weak 3D perturbations, as well as with 2D profile measurements. Observations at DIII-D show that plasma rotation larger than 20 krad s(-1) changes the relative phase between the applied 3D fields and the measured plasma response. Discharges with low averaged rotation (10 krad s(-1)) and peaked rotation profiles (40 krad s(-1)) are reconstructed. Similarities and differences to forward modeled VMEC equilibria, which do not include rotational effects, are shown. Toroidal phase shifts of up to 30 degrees are found between the measured and forward modeled plasma responses at the highest values of rotation. The plasma response phases of reconstructed equilibra on the other hand match the measured ones. This is the first time V3FIT has been used to reconstruct weakly 3D tokamak equilibria.
C1 [Wingen, A.; Wilcox, R. S.; Cianciosa, M. R.; Seal, S. K.; Unterberg, E. A.; Hirshman, S. P.; Shafer, M. W.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Hanson, J. M.] Columbia Univ, New York, NY USA.
[Lao, L. L.; Paz-Soldan, C.] Gen Atom, POB 85608, San Diego, CA USA.
[Logan, N. C.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
RP Wingen, A (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM wingen@fusion.gat.com
OI Shafer, Morgan/0000-0001-9808-6305
FU U.S. Department of Energy, Office of Science, Office of Fusion Energy
Sciences [DE-AC05-00OR22725, DE-FG02-04ER54761, DE-FC02-04ER54698,
DE-AC02-09CH11466]
FX This material is based upon work supported by the U.S. Department of
Energy, Office of Science, Office of Fusion Energy Sciences, using the
DIII-D National Fusion Facility, a DOE Office of Science user facility
under awards, DE-AC05-00OR22725, DE-FG02-04ER54761, DE-FC02-04ER54698
and DE-AC02-09CH11466. DIII-D data shown in this paper can be obtained
in digital format by following the links at
https://fusion.gat.com/global.D3D_DMP. This work used resources of the
Oak Ridge Leadership Computing Facility.
NR 22
TC 0
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U1 6
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PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0029-5515
EI 1741-4326
J9 NUCL FUSION
JI Nucl. Fusion
PD JAN
PY 2017
VL 57
IS 1
AR 016013
DI 10.1088/0029-5515/57/1/016013
PG 10
WC Physics, Fluids & Plasmas
SC Physics
GA EA3GT
UT WOS:000386490700001
ER
PT J
AU Franek, JB
Nogami, SH
Koepke, ME
Demidov, VI
Barnat, EV
AF Franek, J. B.
Nogami, S. H.
Koepke, M. E.
Demidov, V. I.
Barnat, E. V.
TI Dynamics of atomic kinetics in a pulsed positive-column discharge at 100
Pa
SO PLASMA PHYSICS AND CONTROLLED FUSION
LA English
DT Article
DE optical emission spectroscopy (OES); reduced electric field; metastable
argon atoms; emission-line ratio; pulsed DC plasma
ID ELECTRONS
AB Temporal measurements of the electron density, metastable-atom density, and reduced electric field demonstrate that four orders of magnitude variation in the dynamic range of the electron-atom collision-induced excitation rates takes place during the 2.0 kV height, 40 mu s duration repeating pulse applied to a 100 Pa (1 Torr), argon positive column in a hollow-cathode discharge. Correlation between metastable-atom density and emission-line ratio is demonstrated to be sufficiently reliable to infer one quantity based on the measurement of the other quantity during the Initiation, Transient, and Post-Transient spectroscopic stages of the pulse. Observed emission-line ratio and the predicted emission-line ratio are in quantitative agreement with each other in the Transient and Post-Transient stages of the discharge and are in qualitative agreement with each other in the Initiation stage of the discharge. Reasonable assumptions regarding the interpretation of the electron energy probability function (EEPF), as it starts off being Druyvesteyn and becomes more Maxwellian later with the increasing electron density, is key to interpreting the correlation and explaining the temporal behavior of the emission-line ratio in all stages of the discharge.
C1 [Franek, J. B.; Nogami, S. H.; Koepke, M. E.; Demidov, V. I.] West Virginia Univ, Dept Phys & Astron, Morgantown, WV 26505 USA.
[Demidov, V. I.] ITMO Univ, St Petersburg 197101, Russia.
[Barnat, E. V.] Sandia Natl Labs, Lasers Opt & Remote Sensing Dept, Albuquerque, NM 87123 USA.
RP Franek, JB (reprint author), West Virginia Univ, Dept Phys & Astron, Morgantown, WV 26505 USA.
EM jfranek@mix.wvu.edu
RI Demidov, Vladimir/A-4247-2013
OI Demidov, Vladimir/0000-0002-2672-7684
FU US Department of Energy Office of Fusion Energy Sciences [DE-SC0001939,
DE-SC0012515]; US Department of Energy Office of Fusion Energy Sciences
(SCGSR); ORAU [DE-AC05-06OR23100]; US DOE NNSA [DE-AC04-94AL85000]
FX The authors gratefully acknowledge financial support of this work by the
US Department of Energy Office of Fusion Energy Sciences (DE-SC0001939,
DE-SC0012515, and SCGSR). Office of Science Graduate Student Research
(SCGSR) program is administered by ORISE which is managed by ORAU under
contract number DE-AC05-06OR23100. A part of this research was performed
while one author (VID) held a National Research Council Research
Associateship Award at AFRL, Wright-Patterson Air Force Base, OH. Sandia
National Laboratories is a multi-program laboratory operated by Sandia
Corporation, a Lockheed Martin Company, for the US DOE NNSA under
contract DE-AC04-94AL85000.
NR 12
TC 0
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U1 5
U2 5
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0741-3335
EI 1361-6587
J9 PLASMA PHYS CONTR F
JI Plasma Phys. Control. Fusion
PD JAN
PY 2017
VL 59
IS 1
SI SI
AR 014005
DI 10.1088/0741-3335/59/1/014005
PG 5
WC Physics, Fluids & Plasmas
SC Physics
GA EA4PE
UT WOS:000386594300005
ER
PT J
AU Frassinetti, L
Saarelma, S
Lomas, P
Nunes, I
Rimini, F
Beurskens, MNA
Bilkova, P
Boom, JE
de la Luna, E
Delabie, E
Drewelow, P
Flanagan, J
Garzotti, L
Giroud, C
Hawks, N
Joffrin, E
Kempenaars, M
Kim, HT
Kruezi, U
Loarte, A
Lomanowski, B
Lupelli, I
Meneses, L
Maggi, CF
Menmuir, S
Peterka, M
Rachlew, E
Romanelli, M
Stefanikova, E
AF Frassinetti, L.
Saarelma, S.
Lomas, P.
Nunes, I.
Rimini, F.
Beurskens, M. N. A.
Bilkova, P.
Boom, J. E.
de la Luna, E.
Delabie, E.
Drewelow, P.
Flanagan, J.
Garzotti, L.
Giroud, C.
Hawks, N.
Joffrin, E.
Kempenaars, M.
Kim, Hyun-Tae
Kruezi, U.
Loarte, A.
Lomanowski, B.
Lupelli, I.
Meneses, L.
Maggi, C. F.
Menmuir, S.
Peterka, M.
Rachlew, E.
Romanelli, M.
Stefanikova, E.
CA JET Contributors
TI Dimensionless scalings of confinement, heat transport and pedestal
stability in JET-ILW and comparison with JET-C
SO PLASMA PHYSICS AND CONTROLLED FUSION
LA English
DT Article
DE JET-ILW; dimensionless scaling; pedestal; confinement; pedestal
stability; heat transport
ID ELMY H-MODE; DENSITY PEAKING; ASDEX UPGRADE; DIII-D; NONDIMENSIONAL
TRANSPORT; ENERGY CONFINEMENT; ASPECT RATIO; BETA; COLLISIONALITY;
ELECTRON
AB Three dimensionless scans in the normalized Larmor radius rho*, normalized collisionality nu* and normalized plasma pressure beta have been performed in JET with the ITER-like wall (JET-ILW).
The normalized energy confinement and the thermal diffusivity exhibit a scaling with rho* consistent with the earlier results obtained in the carbon wall JET (JET-C) and with a gyro-Bohm scaling. In the pedestal, experimental results show that the stability is not dependent on rho*, qualitatively in agreement with the peeling-ballooning (P-B) model.
The nu* dimensionless scaling shows that JET-ILW normalized confinement has a stronger dependence on collisionality than JET-C. This leads to a reduction of the difference in the confinement between JET-ILW and JET-C to approximate to 10% at low nu*. The pedestal stability shows an improvement with decreasing nu*. This is ascribed to the increase of the bootstrap current, to the reduction of the pedestal width and to the reduction of the relative shift between pedestal density and temperature position.
The beta dimensionless scan shows that, at low collisionality, JET-ILW normalized confinement has no clear dependence with beta, in agreement with part of the earlier scalings. At high collisionality, a reduction of the normalized confinement with increasing beta is observed. This behaviour is driven mainly by the pedestal where the stability is reduced with increasing beta. The P-B analysis shows that the stability reduction with increasing beta at high nu* is due to the destabilizing effect of the increased relative shift.
C1 Culham Sci Ctr, EUROfus Consortium, JET, Abingdon OX14 3DB, Oxon, England.
[Frassinetti, L.; Stefanikova, E.] KTH Royal Inst Technol, Div Fus Plasma Phys, SE-10691 Stockholm, Sweden.
[Saarelma, S.; Lomas, P.; Rimini, F.; Drewelow, P.; Flanagan, J.; Garzotti, L.; Giroud, C.; Hawks, N.; Joffrin, E.; Kempenaars, M.; Kim, Hyun-Tae; Kruezi, U.; Lupelli, I.; Maggi, C. F.; Menmuir, S.; Romanelli, M.] Culham Sci Ctr, CCFE, Abingdon OX14 3DB, Oxon, England.
[Nunes, I.; Meneses, L.] Univ Lisbon, Inst Plasmas & Fusao Nucl, IST, P-1049001 Lisbon, Portugal.
[Beurskens, M. N. A.] Max Planck Inst Plasma Phys, D-17491 Greifswald, Germany.
[Boom, J. E.] Max Planck Inst Plasma Phys, Boltzmannstr 2, D-85748 Garching, Germany.
[de la Luna, E.] CIEMAT, Lab Nacl Fus, Madrid 28040, Spain.
[Delabie, E.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Loarte, A.] ITER Org, Plasma Operat Directorate, F-13115 St Paul Les Durance, France.
[Lomanowski, B.] Aalto Univ, TEKES, Espoo, Finland.
[Bilkova, P.; Peterka, M.] AS CR, Vvi, Inst Plasma Phys, Prague, Czech Republic.
[Rachlew, E.] KTH Royal Inst Technol, Dept Phys, SE-10691 Stockholm, Sweden.
RP Frassinetti, L (reprint author), KTH Royal Inst Technol, Div Fus Plasma Phys, SE-10691 Stockholm, Sweden.
EM lorenzo.frassinetti@ee.kth.se
RI Peterka, Matej/G-2899-2014; Nunes, Isabel/D-1627-2017;
OI Peterka, Matej/0000-0003-4352-8895; Frassinetti,
Lorenzo/0000-0002-9546-4494; Nunes, Isabel/0000-0003-0542-1982
FU Euratom research and training programme [633053]
FX This work has been carried out within the framework of the EUROfusion
Consortium and has received funding from the Euratom research and
training programme 2014-2018 under grant agreement No 633053. The views
and opinions expressed herein do not necessarily reflect those of the
European Commission
NR 71
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U1 8
U2 8
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0741-3335
EI 1361-6587
J9 PLASMA PHYS CONTR F
JI Plasma Phys. Control. Fusion
PD JAN
PY 2017
VL 59
IS 1
SI SI
AR 014014
DI 10.1088/0741-3335/59/1/014014
PG 12
WC Physics, Fluids & Plasmas
SC Physics
GA EA4PE
UT WOS:000386594300014
ER
PT J
AU Kurki-Suonio, T
Sarkimaki, K
Akaslompolo, S
Varje, J
Liu, Y
Sipila, S
Asunta, O
Hirvijoki, E
Snicker, A
Terava, J
Cavinato, M
Gagliardi, M
Parail, V
Saibene, G
AF Kurki-Suonio, T.
Sarkimaki, K.
Akaslompolo, S.
Varje, J.
Liu, Y.
Sipila, S.
Asunta, O.
Hirvijoki, E.
Snicker, A.
Terava, J.
Cavinato, M.
Gagliardi, M.
Parail, V.
Saibene, G.
TI Protecting ITER walls: fast ion power loads in 3D magnetic field
SO PLASMA PHYSICS AND CONTROLLED FUSION
LA English
DT Article
DE fast ion confinement; non-axisymmetric magnetic field; 3-dimensional
wall; ITER power loads; test blanket modules; TBM
ID MODEL
AB The fusion alpha and beam ion with steady-state power loads in all four main operating scenarios of ITER have been evaluated by the ASCOT code. For this purpose, high-fidelity magnetic backgrounds were reconstructed, taking into account even the internal structure of the ferritic inserts and tritium breeding modules (TBM). The beam ions were found to be almost perfectly confined in all scenarios, and only the so-called hybrid scenario featured alpha loads reaching 0.5 MW due to its more triangular plasma. The TBMs were not found to jeopardize the alpha confinement, nor cause any hot spots. Including plasma response did not bring dramatic changes to the load. The ELM control coils (ECC) were simulated in the baseline scenario and found to seriously deteriorate even the beam confinement. However, the edge perturbation in this case is so large that the sources have to be re-evaluated with plasma profiles that take into account the ECC perturbation.
C1 [Kurki-Suonio, T.; Sarkimaki, K.; Akaslompolo, S.; Varje, J.; Sipila, S.; Asunta, O.; Snicker, A.; Terava, J.] Aalto Univ, Espoo, Finland.
[Liu, Y.; Parail, V.] CCFE, Culham, England.
[Hirvijoki, E.] PPPL, Princeton, NJ USA.
[Akaslompolo, S.; Snicker, A.] Max Planck Inst Plasma Phys, Greifswald, Germany.
[Cavinato, M.; Gagliardi, M.; Saibene, G.] F4E, Barcelona, Spain.
[Kurki-Suonio, T.] Chalmers Univ, Gothenburg, Sweden.
[Asunta, O.] Tokamak Energy Ltd, Milton Pk, Oxon, England.
RP Kurki-Suonio, T (reprint author), Aalto Univ, Espoo, Finland.; Kurki-Suonio, T (reprint author), Chalmers Univ, Gothenburg, Sweden.
EM taina.kurki-suonio@aalto.fi
OI Akaslompolo, Simppa/0000-0002-9554-5147
FU Academy of Finland [259675]; [F4E-GRT-379]
FX This work was funded by F4E-GRT-379 and the Academy of Finland project
No. 259675. The HELIOS supercomputer system at IFERC, Japan, the
supercomputing resources of CSC-IT center for science, Finland, and
computer resources within the Aalto University School of Science
'Science-IT' project were utilised in the studies.
NR 10
TC 0
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U1 6
U2 6
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0741-3335
EI 1361-6587
J9 PLASMA PHYS CONTR F
JI Plasma Phys. Control. Fusion
PD JAN
PY 2017
VL 59
IS 1
SI SI
AR 014013
DI 10.1088/0741-3335/59/1/014013
PG 6
WC Physics, Fluids & Plasmas
SC Physics
GA EA4PE
UT WOS:000386594300013
ER
PT J
AU Siegrist, M
Staub, F
Jia, F
Feurer, T
Balmer, J
Nilsen, J
AF Siegrist, Michael
Staub, Felix
Jia, Fei
Feurer, Thomas
Balmer, Jurg
Nilsen, Joseph
TI Self-photopumped x-ray lasers from elements in the Ne-like and Ni-like
ionization state
SO OPTICS COMMUNICATIONS
LA English
DT Article
DE X-ray laser; Self photo-pumped; Neon-like; Nickel-like
ID NICKEL-LIKE; DRIVEN; NM; TRANSITIONS; WAVELENGTHS; TARGET; LINE
AB We report on experiments on the self-photopumped 3d P-1(1)-> 3p P-1(1) and 4f P-1(1)-> 4d P-1(1) laser transitions in Ne-like and Ni-like ions, respectively. Lasing on the self-photopumped laser line has been observed for the first time for a number of elements including Ne-like V, Cr, Fe, and Co as well as Ni-like Ru and Pd. We have investigated the lasing process by varying the prepulse delay, which shows a shift of the optimum main pulse to second prepulse delays towards lower values with higher atomic number Z. Time-resolved measurements showed that self-photopumped and monopole collision-pumped lasing emission occurs essentially simultaneously. Accurate wavelength measurements and calculations are shown to be in excellent agreement. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Siegrist, Michael; Staub, Felix; Jia, Fei; Feurer, Thomas; Balmer, Jurg] Univ Bern, Inst Appl Phys, Sidlerstr 5, CH-3012 Bern, Switzerland.
[Nilsen, Joseph] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
RP Feurer, T (reprint author), Univ Bern, Inst Appl Phys, Sidlerstr 5, CH-3012 Bern, Switzerland.
EM thomas.feurer@iap.unibe.ch
FU Swiss National Science Foundation [200020_144380]; U.S. Department of
Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]
FX This work was supported by the Swiss National Science Foundation under
contract number 200020_144380. The work of one author (J.N.) was
performed under the auspices of the U.S. Department of Energy by
Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.
NR 21
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Z9 0
U1 6
U2 6
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0030-4018
EI 1873-0310
J9 OPT COMMUN
JI Opt. Commun.
PD JAN 1
PY 2017
VL 382
BP 288
EP 293
DI 10.1016/j.optcom.2016.07.084
PG 6
WC Optics
SC Optics
GA EA2GH
UT WOS:000386410300045
ER
PT J
AU Nachon, M
Mangold, N
Forni, O
Kah, LC
Cousin, A
Wiens, RC
Anderson, R
Blaney, D
Blank, JG
Calef, F
Clegg, SM
Fabre, C
Fisk, MR
Gasnault, O
Grotzinger, JP
Kronyak, R
Lanza, NL
Lasue, J
Le Deit, L
Le Mouelic, S
Maurice, S
Meslin, PY
Oehler, DZ
Payre, V
Rapin, W
Schroder, S
Stack, K
Sumner, D
AF Nachon, M.
Mangold, N.
Forni, O.
Kah, L. C.
Cousin, A.
Wiens, R. C.
Anderson, R.
Blaney, D.
Blank, J. G.
Calef, F.
Clegg, S. M.
Fabre, C.
Fisk, M. R.
Gasnault, O.
Grotzinger, J. P.
Kronyak, R.
Lanza, N. L.
Lasue, J.
Le Deit, L.
Le Mouelic, S.
Maurice, S.
Meslin, P. -Y.
Oehler, D. Z.
Payre, V.
Rapin, W.
Schroeder, S.
Stack, K.
Sumner, D.
TI Chemistry of diagenetic features analyzed by ChemCam at Pahrump Hills,
Gale crater, Mars
SO ICARUS
LA English
DT Article
DE Mars surface; Geological processes; Mineralogy
ID INDUCED BREAKDOWN SPECTROSCOPY; INSTRUMENT SUITE; ROVER; SULFATE;
TARGETS; ROCKS; UNIT
AB The Curiosity rover's campaign at Pahrump Hills provides the first analyses of lower Mount Sharp strata. Here we report ChemCam elemental composition of a diverse assemblage of post-depositional features embedded in, or cross-cutting, the host rock. ChemCam results demonstrate their compositional diversity, especially compared to the surrounding host rock: (i) Dendritic aggregates and relief enhanced features, characterized by a magnesium enhancement and sulfur detection, and interpreted as Mg-sulfates; (ii) A localized observation that displays iron enrichment associated with sulfur, interpreted as Fe-sulfate; (iii) Dark raised ridges with varying Mg- and Ca-enriched compositions compared to host rock; (iv) Several dark-toned veins with calcium enhancement associated with fluorine detection, interpreted as fluorite veins. (v) Light-toned veins with enhanced calcium associated with sulfur detection, and interpreted as Ca-sulfates. The diversity of the Pahrump Hills diagenetic assemblage suggests a complex post depositional history for fine-grained sediments for which the origin has been interpreted as fluvial and lacustrine. Assessment of the spatial and relative temporal distribution of these features shows that the Mg-sulfate features are predominant in the lower part of the section, suggesting local modification of the sediments by early diagenetic fluids. In contrast, light-toned Ca-sulfate veins occur in the whole section and cross-cut all other features. A relatively late stage shift in geochemical conditions could explain this observation. The Pahrump Hills diagenetic features have no equivalent compared to targets analyzed in other locations at Gale crater. Only the light-toned Ca-sulfate veins are present elsewhere, along Curiosity's path, suggesting they formed through a common late-stage process that occurred at over a broad area. (C) 2016 Elsevier Inc. All rights reserved.
C1 [Nachon, M.; Mangold, N.; Le Deit, L.; Le Mouelic, S.] Univ Nantes, CNRS, Lab Planetol & Geodynam Nantes, UMR6112, F-44322 Nantes, France.
[Forni, O.; Cousin, A.; Gasnault, O.; Lasue, J.; Maurice, S.; Meslin, P. -Y.; Rapin, W.; Schroeder, S.] Univ Toulouse, Inst Rech Astrophys & Planetol, UPS OMP, Toulouse, France.
[Kah, L. C.] Univ Tennessee, Dept Earth & Planetary Sci, Knoxville, TN USA.
[Wiens, R. C.; Clegg, S. M.; Lanza, N. L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Anderson, R.] US Geol Survey, Astrogeol Sci Ctr, Flagstaff, AZ 86001 USA.
[Blaney, D.; Calef, F.; Stack, K.] CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91125 USA.
[Blank, J. G.] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA.
[Fabre, C.; Payre, V.] Univ Lorraine, GeoRessources, Nancy, France.
[Fisk, M. R.] Oregon State Univ, Coll Earth Ocean & Atmospher Sci, Corvallis, OR 97331 USA.
[Grotzinger, J. P.] CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA.
[Oehler, D. Z.] NASA, Astromat Res & Explorat Sci Div, Johnson Space Ctr, Houston, TX 77058 USA.
[Schroeder, S.] Inst Opt Sensorsyst, German Aerosp Ctr DLR, Berlin, Germany.
[Sumner, D.] Univ Calif Davis, Earth & Planetary Sci, Davis, CA 95616 USA.
RP Nachon, M (reprint author), Univ Nantes, CNRS, Lab Planetol & Geodynam Nantes, UMR6112, F-44322 Nantes, France.
EM marion.nachon@univ-nantes.fr
OI Clegg, Sam/0000-0002-0338-0948
FU NASA's Mars Exploration Program; Centre National de la Recherche
Scientifique; Centre National d'Etudes Spatiales; Observatoire des
Sciences de l'Univers Nord Atlantique
FX Data used in the study are available at the NASA Planetary Data System
(https://pds.jpl.nasa.gov). We are grateful to the MSL and especially
ChemCam science and engineering Teams for the data collection, which is
supported in the US by NASA's Mars Exploration Program. We acknowledge
Jean-Pierre Lorand (LPGNantes) for providing us with the NiS sample. We
also acknowledge the IRAP and the CNES Team members for their
contribution on the laboratory analysis. Insightful comments provided by
two anonymous reviewers were appreciated. French authors are granted by
the Centre National de la Recherche Scientifique, the Centre National
d'Etudes Spatiales, and the Observatoire des Sciences de l'Univers Nord
Atlantique.
NR 50
TC 1
Z9 1
U1 16
U2 16
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0019-1035
EI 1090-2643
J9 ICARUS
JI Icarus
PD JAN 1
PY 2017
VL 281
BP 121
EP 136
DI 10.1016/j.icarus.2016.08.026
PG 16
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA DY9TN
UT WOS:000385478100010
ER
PT J
AU Gordon, MP
Zaia, EW
Zhou, P
Russ, B
Coates, NE
Sahu, A
Urban, JJ
AF Gordon, Madeleine P.
Zaia, Edmond W.
Zhou, Preston
Russ, Boris
Coates, Nelson E.
Sahu, Ayaskanta
Urban, Jeffrey J.
TI Soft PEDOT:PSS aerogel architectures for thermoelectric applications
SO JOURNAL OF APPLIED POLYMER SCIENCE
LA English
DT Article
DE conducting polymers; porous materials; structure-property relations
ID POWER-FACTOR; THIN-FILMS; ELECTRICAL-CONDUCTIVITY; THERMAL-CONDUCTIVITY;
ENHANCEMENT; POLY(3,4-ETHYLENEDIOXYTHIOPHENE); SULFONATE);
3,4-ETHYLENEDIOXYTHIOPHENE; NANOCELLULOSE; OPTIMIZATION
AB In this study, we present the first characterization of pure PEDOT:PSS aerogels fabricated via a facile and reproducible freeze-drying technique using no additional crosslinking agents, and it is demonstrated that these materials provide a promising path to new classes of polymeric thermoelectric materials. The morphology, chemical composition, and thermoelectric properties of these robust and mechanically stable aerogels were investigated upon treatment with ethylene glycol. By direct comparison to fully dense PEDOT: PSS thick films, it is shown that the electronic portion of thermoelectric transport in PEDOT: PSS was remarkably unaffected by morphological porosity, presenting exciting opportunities for novel soft materials that simultaneously integrate thermoelectric behavior while also capitalizing on the high surface area scaffolding accessible in such aerogel architectures. (C) 2016 Wiley Periodicals, Inc.
C1 [Gordon, Madeleine P.; Zaia, Edmond W.; Zhou, Preston; Russ, Boris; Coates, Nelson E.; Sahu, Ayaskanta; Urban, Jeffrey J.] Lawrence Berkeley Natl Lab, Div Mat Sci, Mol Foundry, Berkeley, CA 94720 USA.
[Zaia, Edmond W.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA.
[Coates, Nelson E.] Calif State Univ Maritime, Vallejo, CA 94590 USA.
RP Urban, JJ (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Mol Foundry, Berkeley, CA 94720 USA.
EM jjurban@lbl.gov
FU Department of Energy BES-LBL Thermoelectrics Program; Office of Science,
Office of Basic Energy Sciences, Scientific User Facilities Division of
the U.S. Department of Energy [DE-AC02-05CH11231]
FX We gratefully acknowledge support through the Department of Energy
BES-LBL Thermoelectrics Program. This work was performed at the
Molecular Foundry and Advanced Light Source, Lawrence Berkeley National
Laboratory, and was supported by the Office of Science, Office of Basic
Energy Sciences, Scientific User Facilities Division of the U.S.
Department of Energy under Contract No. DE-AC02-05CH11231.
NR 46
TC 0
Z9 0
U1 69
U2 69
PU WILEY
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0021-8995
EI 1097-4628
J9 J APPL POLYM SCI
JI J. Appl. Polym. Sci.
PD JAN
PY 2017
VL 134
IS 3
AR 44070
DI 10.1002/APP.44070
PG 9
WC Polymer Science
SC Polymer Science
GA DZ4AH
UT WOS:000385798400003
ER
PT J
AU Martinez, J
Piscaglia, F
Montorfano, A
Onorati, A
Aithal, SM
AF Martinez, J.
Piscaglia, F.
Montorfano, A.
Onorati, A.
Aithal, S. M.
TI Influence of momentum interpolation methods on the accuracy and
convergence of pressure-velocity coupling algorithms in OpenFOAM (R)
SO JOURNAL OF COMPUTATIONAL AND APPLIED MATHEMATICS
LA English
DT Article; Proceedings Paper
CT International Conference on Mathematical Modeling in Engineering and
Human Behavior
CY SEP 09-11, 2015
CL Inst Univ Matematica Multidisciplinar, Valencia, SPAIN
HO Inst Univ Matematica Multidisciplinar
DE Rhie-Chow; Momentum interpolation; SIMPLE algorithm; Pressure-velocity
coupling; OpenFOAM
ID ENGINE-LIKE GEOMETRIES; FLOWS; UNDERRELAXATION; COMPUTATION; GRIDS; LES
AB Checkerboard pressure is one of the most significant problems arising from the use of collocated grids for fluid dynamic simulations using the finite-volume method. The original Rhie-Chow momentum interpolation technique, termed Original Momentum Interpolation Method (OMIM) was proposed to eliminate the non-physical saw-tooth pressure oscillations. However, it was soon proved that the steady-state solutions obtained with this technique were under-relaxation factor dependent. Nevertheless, standard OMIM is still commonly used in several CFD codes like OpenFOAM (R), the software used for this work. In this paper the OMIM and a possible correction for under-relaxation dependency, which has been implemented in OpenFOAM (R), are discussed in detail. The proposed methodology is compared and contrasted with OMIM in terms of accuracy of the solution and speed of convergence for several classical pressure-velocity segregated algorithms for steady state solvers; namely SIMPLE, SIMPLE-C, SIMPLE-R and PISO. A classical laminar 2D cavity is used as the base test-case. The study is then extended to a more complex 2D airfoil profile (NACA0012). In the cases considered mesh uniformity and orthogonality are progressively reduced and turbulence starts playing an important role, limiting therefore the convergence of the cases and the performance of the correction. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Martinez, J.; Piscaglia, F.; Montorfano, A.; Onorati, A.] Politecn Milan, Dip Energia, Via Lambruschini 4, I-20156 Milan, Italy.
[Aithal, S. M.] Argonne Natl Lab, Lemont, IL 60439 USA.
RP Martinez, J (reprint author), Politecn Milan, Dip Energia, Via Lambruschini 4, I-20156 Milan, Italy.
EM jmartrubio@gmail.com
NR 26
TC 0
Z9 0
U1 9
U2 9
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0377-0427
EI 1879-1778
J9 J COMPUT APPL MATH
JI J. Comput. Appl. Math.
PD JAN 1
PY 2017
VL 309
BP 654
EP 673
DI 10.1016/j.cam.2016.03.037
PG 20
WC Mathematics, Applied
SC Mathematics
GA DY0II
UT WOS:000384780100050
ER
PT J
AU Hollmann, EM
Commaux, N
Moyer, RA
Parks, PB
Austin, ME
Bykov, I
Cooper, C
Eidietis, NW
O'Mullane, M
Paz-Soldan, C
Rudakov, DL
Shiraki, D
AF Hollmann, E. M.
Commaux, N.
Moyer, R. A.
Parks, P. B.
Austin, M. E.
Bykov, I.
Cooper, C.
Eidietis, N. W.
O'Mullane, M.
Paz-Soldan, C.
Rudakov, D. L.
Shiraki, D.
TI Use of Ar pellet ablation rate to estimate initial runaway electron seed
population in DIII-D rapid shutdown experiments
SO NUCLEAR FUSION
LA English
DT Article
DE tokamak; disruptions; runaway electrons
ID DISRUPTION; EMISSION; TOKAMAK; PLASMA
AB Small (2-3 mm, 0.9-2 Pa.m(3)) argon pellets are used in the DIII-D tokamak to cause rapid shutdown (disruption) of discharges. The Ar pellet ablation is typically found to be much larger than expected from the thermal plasma electron temperature alone; the additional ablation is interpreted as being due to non-thermal runaway electrons (REs) formed during the pellet-induced temperature collapse. Simple estimates of the RE seed current using the enhanced ablation rate give values of order 1-10 kA, roughly consistent with estimates based on avalanche theory. Analytic estimates of the RE seed current based on the Dreicer formula tend to significantly underestimate it, while estimates based on the hot tail model significantly overestimate it.
C1 [Hollmann, E. M.; Moyer, R. A.; Bykov, I.; Rudakov, D. L.] Univ Calif San Diego, 9500 Gilman Dr, La Jolla, CA 92093 USA.
[Commaux, N.; Shiraki, D.] Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA.
[Parks, P. B.; Cooper, C.; Eidietis, N. W.; Paz-Soldan, C.] Gen Atom, POB 85608, San Diego, CA 92186 USA.
[Austin, M. E.] Univ Texas Austin, Inst Fus Studies, 2100 San Jacinto Blvd, Austin, TX 78712 USA.
[O'Mullane, M.] Univ Strathclyde, Dept Phys, Glasgow GW ONG, Lanark, Scotland.
RP Hollmann, EM (reprint author), Univ Calif San Diego, 9500 Gilman Dr, La Jolla, CA 92093 USA.
EM ehollmann@ucsd.edu
FU US Department of Energy [DE-FG02-07ER54917, DE-FC02-04ER54698,
DE-AC05-00OR22725, DE-AC52-07NA27344, DE-AC05-06OR23100]
FX Helpful advise from G Papp on how to estimate hot tail RE seed current
is acknowledged. Diagnostic support from D Ayala, A Briesemeister, J
Kulchar, C Lasnier, M Makowski, E Unterberg, M van Zeeland, and Y Zhu is
gratefully acknowledged. This work was supported in part by the US
Department of Energy under DE-FG02-07ER54917, DE-FC02-04ER54698,
DE-AC05-00OR22725, DE-AC52-07NA27344, and DE-AC05-06OR23100. The
originating developer of ADAS is the JET Joint Undertaking.
NR 34
TC 0
Z9 0
U1 1
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0029-5515
EI 1741-4326
J9 NUCL FUSION
JI Nucl. Fusion
PD JAN
PY 2017
VL 57
IS 1
AR 016008
DI 10.1088/0029-5515/57/1/016008
PG 10
WC Physics, Fluids & Plasmas
SC Physics
GA DZ1YR
UT WOS:000385638600004
ER
PT J
AU Holod, I
Lin, Z
Taimourzadeh, S
Nazikian, R
Spong, D
Wingen, A
AF Holod, I.
Lin, Z.
Taimourzadeh, S.
Nazikian, R.
Spong, D.
Wingen, A.
TI Effect of resonant magnetic perturbations on microturbulence in DIII-D
pedestal
SO NUCLEAR FUSION
LA English
DT Article
DE tokamak; turbulence; plasma; resonant magnetic perturbation; edge
localized mode
ID PLASMAS; TOKAMAK
AB Vacuum resonant magnetic perturbations (RMP) applied to otherwise axisymmetric tokamak plasmas produce in general a combination of non-resonant effects that preserve closed flux surfaces (kink response) and resonant effects that introduce magnetic islands and/or stochasticity (tearing response). The effect of the plasma kink response on the linear stability and nonlinear transport of edge turbulence is studied using the gyrokinetic toroidal code GTC for a DIII-D plasma with applied n = 2 vacuum RMP. GTC simulations use the 3D equilibrium of DIII-D discharge 158103 (Nazikian et al 2015 Phys. Rev. Lett. 114 105002), which is provided by nonlinear ideal MHD VMEC equilibrium solver in order to include the effect of the plasma kink response to the external field but to exclude island formation at rational surfaces. Analysis using the GTC simulation results reveal no increase of growth rates for the electrostatic drift wave instability and for the electromagnetic kinetic-ballooning mode in the presence of the plasma kink response to the RMP. Furthermore, nonlinear electrostatic simulations show that the effect of the 3D equilibrium on zonal flow damping is very weak and found to be insufficient to modify turbulent transport in the electrostatic turbulence.
C1 [Holod, I.; Lin, Z.; Taimourzadeh, S.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA.
[Holod, I.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Nazikian, R.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[Spong, D.; Wingen, A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Holod, I (reprint author), Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA.; Holod, I (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
EM iholod@uci.edu
FU DOE [DE-AC05-00OR22725, DE-AC02-05CH11231]; General Atomics subcontract
[4500055243]; U.S. DOE [DE-SC0010416, DE-SC0013804, DE-AC02-09CH11466];
General Atomics collaboration agreement under DOE [DE-FG03-94ER54271]
FX This research used resources of the Oak Ridge Leadership Computing
Facility at Oak Ridge National Laboratory (DOE Contract No.
DE-AC05-00OR22725), and the National Energy Research Scientific
Computing Center (DOE Contract No. DE-AC02-05CH11231). This work is
supported by General Atomics subcontract 4500055243, U.S. DOE theory
grant DE-SC0010416 and DE-SC0013804, and by General Atomics
collaboration agreement under DOE grant DE-FG03-94ER54271 and by the
U.S. DOE grant to the Princeton Plasma Physics Lab., award No.
DE-AC02-09CH11466.
NR 16
TC 0
Z9 0
U1 7
U2 7
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0029-5515
EI 1741-4326
J9 NUCL FUSION
JI Nucl. Fusion
PD JAN
PY 2017
VL 57
IS 1
AR 016005
DI 10.1088/0029-5515/57/1/016005
PG 7
WC Physics, Fluids & Plasmas
SC Physics
GA DZ1YR
UT WOS:000385638600001
ER
PT J
AU Ng, RTL
Maravelias, CT
AF Ng, Rex T. L.
Maravelias, Christos T.
TI Design of biofuel supply chains with variable regional depot and
biorefinery locations
SO RENEWABLE ENERGY
LA English
DT Article
DE Cellulosic ethanol; Biorefinery; Mathematical programming; Optimization;
Reformulation
ID NONENZYMATIC SUGAR PRODUCTION; EXPANSION AFEX PRETREATMENT; BIOMASS
PROCESSING DEPOTS; TECHNOLOGY SELECTION; PROGRAMMING APPROACH;
OPTIMIZATION; ETHANOL; SYSTEMS; MODEL; UNCERTAINTIES
AB We propose a multi-period mixed-integer linear programming (MILP) model for the design and operational planning of cellulosic biofuel supply chains. Specifically, the proposed MILP model accounts for biomass selection and allocation, technology selection and capacity planning at regional depots and biorefineries. Importantly, it considers the location of regional depots and biorefineries as continuous optimization decisions. We introduce approximation and reformulation methods for the calculation of the shipments and transportation distance in order to obtain a linear model. We illustrate the applicability of the proposed methods using two medium-scale examples with realistic data. (C) 2016 Elsevier Ltd. All rights reserved.
C1 [Ng, Rex T. L.; Maravelias, Christos T.] Univ Wisconsin, Dept Chem & Biol Engn, 1415 Engn Dr, Madison, WI 53706 USA.
[Ng, Rex T. L.; Maravelias, Christos T.] Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, 1415 Engn Dr, Madison, WI 53706 USA.
RP Maravelias, CT (reprint author), Univ Wisconsin, Dept Chem & Biol Engn, 1415 Engn Dr, Madison, WI 53706 USA.
EM christos.maravelias@wisc.edu
RI Maravelias, Christos/B-1376-2009
OI Maravelias, Christos/0000-0002-4929-1748
FU DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science)
[DE-FC02-07ER64494]
FX This work was funded by the DOE Great Lakes Bioenergy Research Center
(DOE BER Office of Science DE-FC02-07ER64494).
NR 51
TC 0
Z9 0
U1 11
U2 11
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0960-1481
J9 RENEW ENERG
JI Renew. Energy
PD JAN
PY 2017
VL 100
SI SI
BP 90
EP 102
DI 10.1016/j.renene.2016.05.009
PG 13
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels
SC Science & Technology - Other Topics; Energy & Fuels
GA DY7PS
UT WOS:000385322300009
ER
PT J
AU Geveke, DJ
Bigley, ABW
Brunkhorst, CD
AF Geveke, David J.
Bigley, Andrew B. W.
Brunkhorst, Christopher D.
TI Pasteurization of shell eggs using radio frequency heating
SO JOURNAL OF FOOD ENGINEERING
LA English
DT Article
DE Radio frequency; Dielectric heating; Shell eggs; Pasteurization;
Impedance; Finite element modeling
ID SALMONELLA-ENTERITIDIS; ESCHERICHIA-COLI; INTACT EGGS; INACTIVATION;
IMMERSION; QUALITY
AB The USDA-FSIS estimates that pasteurization of all shell eggs in the U.S. would reduce the annual number of illnesses by more than 110,000. However, less than 3% of shell eggs are commercially pasteurized. One of the main reasons for this is that the commercial hot water process requires as much as 60 min to complete. In the present study, a radio frequency (RF) apparatus was constructed, and a two-step process was developed that uses RF energy and hot water, to pasteurize eggs in less than half the time. In order to select an appropriate RF generator, the impedance of shell eggs was measured in the frequency range of 10-70 MHz. The power density within the egg was modeled to prevent potential hotspots. Escherichia coli (ATCC 35218) was inoculated in the yolk to approximately 7.5 log CFU/ml. The combination process first heated the egg in 35.0 degrees C water for 3.5 min using 60 MHz RF energy. This resulted in the yolk being preferentially heated to 61 degrees C. Then, the egg was heated for an additional 20 min with 56.7 degrees C water. This two-step process reduced the population of E. coli by 6.5 log. The total time for the process was 23.5 min. By contrast, processing for 60 min was required to reduce the E. coli by 6.6 log using just hot water. The novel RF pasteurization process presented in this study was considerably faster than the existing commercial process. This should lead to an increase in the percentage of eggs being pasteurized, as well as a reduction of foodborne illnesses. Published by Elsevier Ltd.
C1 [Geveke, David J.; Bigley, Andrew B. W.] ARS, Food Safety & Intervent Technol Res Unit, Eastern Reg Res Ctr, USDA, 600 East Mermaid Lane, Wyndmoor, PA 19038 USA.
[Brunkhorst, Christopher D.] Princeton Univ, Princeton Plasma Phys Lab, MS08,C Site Engn Wing 117, Princeton, NJ 08543 USA.
RP Geveke, DJ (reprint author), ARS, Food Safety & Intervent Technol Res Unit, Eastern Reg Res Ctr, USDA, 600 East Mermaid Lane, Wyndmoor, PA 19038 USA.
EM david.geveke@ars.usda.gov
NR 28
TC 0
Z9 0
U1 30
U2 30
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0260-8774
EI 1873-5770
J9 J FOOD ENG
JI J. Food Eng.
PD JAN
PY 2017
VL 193
BP 53
EP 57
DI 10.1016/j.jfoodeng.2016.08.009
PG 5
WC Engineering, Chemical; Food Science & Technology
SC Engineering; Food Science & Technology
GA DY1JL
UT WOS:000384851200006
ER
PT J
AU Liu, R
Mohanpurkar, M
Panwar, M
Hovsapian, R
Srivastava, A
Suryanarayanan, S
AF Liu, Ren
Mohanpurkar, Manish
Panwar, Mayank
Hovsapian, Rob
Srivastava, Anurag
Suryanarayanan, Siddharth
TI Geographically distributed real-time digital simulations using linear
prediction
SO INTERNATIONAL JOURNAL OF ELECTRICAL POWER & ENERGY SYSTEMS
LA English
DT Article
DE Linear curve fitting; Linear data predictor; Real-Time Digital Simulator
(RTDS); Real-Time simulation; Power systems; Transients; Co-simulation
ID SYSTEMS; OSCILLATIONS; CLUSTER; EMTP
AB Real-time (RT) simulator is a powerful tool for analyzing operational and control algorithms in electric power systems engineering. For understanding the dynamic and transient behavior of a power systems, significant RT computation capabilities are essential. A single unit of RT simulator has limited simulation capabilities. The most common way of augmenting simulation capability is using a bank of locally connected RT simulators. However, creating a large-sized bank of RT simulators involves significant financial investments and hence may not be feasible at all research facilities. Power and energy systems research facilities that use RT simulators are at diverse physical locations. In addition to RT simulators, research facilities around the world house an array of facilities with unique power, energy, and control systems for innovative research. To leverage these unique research facilities, geographically distributed RT simulation based on Wide Area Network (WAN) is required. Typical RT simulators perform simulations with time-steps in the order of milliseconds to microseconds, whereas data latency for communication on WAN may be as high as a few hundred milliseconds. Such communication latency between RT simulators may lead to inaccuracies and instabilities in geographically distributed RT simulations. In this paper, the effect of communication latency on geographically distributed RT simulation is discussed and analyzed. In order to reduce the effect of the communication latency, a Real-Time Predictor (RTP), based on linear curve fitting is developed and integrated into the distributed RT simulation environment. Two geographically distributed digital RT simulators are used to perform dynamic simulations of an electric power system with a fixed communication latency and the predictor. Empirical results demonstrate the effects of communication latency on the simulation and the performance of the RTP to improve the accuracy of simulations. (C) 2016 The Authors. Published by Elsevier Ltd.
C1 [Liu, Ren; Srivastava, Anurag] Washington State Univ, Sch Elect Engn & Comp Sci, Pullman, WA 99164 USA.
[Mohanpurkar, Manish; Hovsapian, Rob] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
[Panwar, Mayank; Suryanarayanan, Siddharth] Colorado State Univ, Dept ECE, Ft Collins, CO 80523 USA.
RP Mohanpurkar, M (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA.
EM manish.mohanpurkar@inl.gov; asrivast@eecs.wsu.edu;
ssuryana@rams.colostate.edu
OI Panwar, Mayank/0000-0002-2140-1087
FU Laboratory Directed Research and Development funds, Idaho National
Laboratory, Idaho Falls, ID
FX This work was supported by the Laboratory Directed Research and
Development funds, Idaho National Laboratory, Idaho Falls, ID.
NR 44
TC 0
Z9 0
U1 14
U2 14
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0142-0615
EI 1879-3517
J9 INT J ELEC POWER
JI Int. J. Electr. Power Energy Syst.
PD JAN
PY 2017
VL 84
BP 308
EP 317
DI 10.1016/j.ijepes.2016.06.005
PG 10
WC Engineering, Electrical & Electronic
SC Engineering
GA DX5AL
UT WOS:000384392100029
ER
PT J
AU Efroymson, RA
Kline, KL
Angelsen, A
Verburg, PH
Dale, VH
Langeveld, JWA
McBride, A
AF Efroymson, Rebecca A.
Kline, Keith L.
Angelsen, Arild
Verburg, Peter H.
Dale, Virginia H.
Langeveld, Johannes W. A.
McBride, Allen
TI A causal analysis framework for land-use change and the potential role
of bioenergy policy
SO LAND USE POLICY
LA English
DT Article
DE Indirect land-use change; Biofuel; Attribution; Causation; Greenhouse
gas emissions; Deforestation
ID GREENHOUSE-GAS EMISSIONS; IMPROVING ANALYTICAL METHODOLOGIES; BIOFUELS
TESTING PREDICTIONS; LIFE-CYCLE ASSESSMENT; FOREST-TRANSITION; BRAZILIAN
AMAZON; CLIMATE-CHANGE; UNITED-STATES; COVER CHANGE; TROPICAL
DEFORESTATION
AB We propose a causal analysis framework to increase understanding of land-use change (LUC) and the reliability of LUC models. This health-sciences-inspired framework can be applied to determine probable causes of LUC in the context of bioenergy. Calculations of net greenhouse gas (GHG) emissions for LUC associated with biofuel production are critical in determining whether a fuel qualifies as a biofuel or advanced biofuel category under regional (EU), national (US, UK), and state (California) regulations. Biofuel policymakers and scientists continue to discuss to what extent presumed indirect land-use change (ILUC) estimates should be included in GHG accounting for biofuel pathways. Current estimates of ILUC for bioenergy rely largely on economic simulation models that focus on causal pathways involving global commodity trade and use coarse land-cover data with simple land classification systems. This paper challenges the application of such models to estimate global areas of LUC in the absence of causal analysis. The proposed causal analysis framework begins with a definition of the change that has occurred and proceeds to a strength-of-evidence approach that includes plausibility of relationship, completeness of causal pathway, spatial co-occurrence, time order, analogous agents, simulation model results, and quantitative agent-response relationships. We discuss how LUC may be allocated among probable causes for policy purposes and how the application of the framework has the potential to increase the validity of LUC models and resolve controversies about ILUC, such as deforestation, and biofuels. (C) 2016 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
C1 [Kline, Keith L.; Dale, Virginia H.; McBride, Allen] Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA.
[Angelsen, Arild] Norwegian Univ Life Sci NMBU, POB 5003, N-1432 As, Norway.
[Verburg, Peter H.] Vrije Univ Amsterdam, Boelelaan 1087, NL-1081 HV Amsterdam, Netherlands.
[Langeveld, Johannes W. A.] Biomass Res, POB 247, NL-6700 AE Wageningen, Netherlands.
[Efroymson, Rebecca A.] Norwegian Univ Life Sci NMBU, Sch Business & Econ, POB 5003, N-1432 As, Norway.
[McBride, Allen] Univ Tennessee, Knoxville, TN USA.
RP Efroymson, RA (reprint author), Norwegian Univ Life Sci NMBU, Sch Business & Econ, POB 5003, N-1432 As, Norway.
EM efroymsonra@ornl.gov; klinekl@ornl.gov; arild.angelsen@nmbu.no;
peter.verburg@vu.nl; dalevh@ornl.gov; hans@biomassresearch.eu;
amcbri10@vols.utk.edu
OI Efroymson, Rebecca/0000-0002-3190-880X
FU U.S. Department of Energy (DOE) under the Bioenergy Technologies Office;
DOE [DE-AC05-00OR22725]; European Commission; ERC [311819]
FX We thank Nagendra Singh, Gbadebo Oladosu, Steve Norman, Glenn Suter,
Budhu Bhaduri, Esther Parish, Eric Lambin, Kristen Johnson, and Robert
Haley for helpful discussions and advice. This research was supported by
the U.S. Department of Energy (DOE) under the Bioenergy Technologies
Office. Oak Ridge National Laboratory is managed by UT-Battelle, LLC,
for DOE under contract DE-AC05-00OR22725. PV thanks the European
Commission project SAT-BBE (Systems Analysis Tools Framework for the EU
Bio-Based Economy Strategy) and ERC Grant Agreement. 311819 (GLOLAND)
for support.
NR 164
TC 0
Z9 0
U1 36
U2 36
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0264-8377
EI 1873-5754
J9 LAND USE POLICY
JI Land Use Pol.
PD DEC 31
PY 2016
VL 59
BP 516
EP 527
DI 10.1016/j.landusepol.2016.09.009
PG 12
WC Environmental Studies
SC Environmental Sciences & Ecology
GA EB6TX
UT WOS:000387519600046
ER
PT J
AU Green, D
AF Green, Dan
TI US Involvement in the LHC
SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A
LA English
DT Article
DE CERN; CMS; DOE; FNAL; HEP; international; LARP LHC; NSF; SSC
AB The demise of the SSC in the U.S. created an upheaval in the U.S. high energy physics (HEP) community. The subsequent redirection of HEP efforts to the CERN Large Hadron Collider (LHC) can perhaps be seen as informing on possible future paths for worldwide collaboration on future HEP megaprojects.
C1 [Green, Dan] Fermilab Natl Accelerator Lab, CMS Dept, PPD Div, POB 500, Batavia, IL 60510 USA.
RP Green, D (reprint author), Fermilab Natl Accelerator Lab, CMS Dept, PPD Div, POB 500, Batavia, IL 60510 USA.
EM dgreen@fnal.gov
NR 2
TC 0
Z9 0
U1 1
U2 1
PU WORLD SCIENTIFIC PUBL CO PTE LTD
PI SINGAPORE
PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE
SN 0217-751X
EI 1793-656X
J9 INT J MOD PHYS A
JI Int. J. Mod. Phys. A
PD DEC 30
PY 2016
VL 31
IS 36
AR 1630062
DI 10.1142/S0217751X16300623
PG 16
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA EH7HE
UT WOS:000391942900001
ER
PT J
AU Rubinsteint, R
AF Rubinsteint, Roy
TI The International Committee for Future Accelerators (ICFA): 1976 to the
present
SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A
LA English
DT Article
AB The origins of the International Committee for Future Accelerators (ICFA) are described, together with its role in the particle physics community; also discussed are some of its past and current major activities.
C1 [Rubinsteint, Roy] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
RP Rubinsteint, R (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU WORLD SCIENTIFIC PUBL CO PTE LTD
PI SINGAPORE
PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE
SN 0217-751X
EI 1793-656X
J9 INT J MOD PHYS A
JI Int. J. Mod. Phys. A
PD DEC 30
PY 2016
VL 31
IS 36
AR 1630063
DI 10.1142/S0217751X16300635
PG 6
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA EH7HE
UT WOS:000391942900002
ER
PT J
AU Hammel, M
Yu, YP
Radhakrishnan, SK
Chokshi, C
Tsai, MS
Matsumoto, Y
Kuzdovich, M
Remesh, SG
Fang, SJ
Tomkinson, AE
Lees-Miller, SP
Tainer, JA
AF Hammel, Michal
Yu, Yaping
Radhakrishnan, Sarvan K.
Chokshi, Chirayu
Tsai, Miaw-Sheue
Matsumoto, Yoshihiro
Kuzdovich, Monica
Remesh, Soumya G.
Fang, Shujuan
Tomkinson, Alan E.
Lees-Miller, Susan P.
Tainer, John A.
TI An Intrinsically Disordered APLF Links Ku, DNA-PKcs, and XRCC4-DNA
Ligase IV in an Extended Flexible Non-homologous End Joining Complex
SO JOURNAL OF BIOLOGICAL CHEMISTRY
LA English
DT Article
ID DEPENDENT PROTEIN-KINASE; DOUBLE-STRAND BREAKS; X-RAY-SCATTERING;
SMALL-ANGLE SCATTERING; IONIZING-RADIATION; BIOLOGICAL MACROMOLECULES;
STRUCTURAL INSIGHTS; CRYSTAL-STRUCTURE; DAMAGE RESPONSE; REPAIR PROTEINS
AB DNA double-strand break (DSB) repair by non-homologous end joining (NHEJ) in human cells is initiated by Ku heterodimer binding to a DSB, followed by recruitment of core NHEJ factors including DNA-dependent protein kinase catalytic subunit (DNA-PKcs), XRCC4-like factor (XLF), and XRCC4 (X4)-DNA ligase IV (L4). Ku also interacts with accessory factors such as aprataxin and polynucleotide kinase/phosphatase-like factor (APLF). Yet, how these factors interact to tether, process, and ligate DSB ends while allowing regulation and chromatin interactions remains enigmatic. Here, small angle X-ray scattering (SAXS) and mutational analyses show APLF is largely an intrinsically disordered protein that binds Ku, Ku/DNA-PKcs (DNA-PK), and X4L4 within an extended flexible NHEJ core complex. X4L4 assembles with Ku heterodimers linked to DNA-PKcs via flexible Ku80 C-terminal regions (Ku80CTR) in a complex stabilized through APLF interactions with Ku, DNA-PK, and X4L4. Collective results unveil the solution architecture of the six-protein complex and suggest cooperative assembly of an extended flexible NHEJ core complex that supports APLF accessibility while possibly providing flexible attachment of the core complex to chromatin. The resulting dynamic tethering furthermore, provides geometric access of L4 catalytic domains to the DNA ends during ligation and of DNA-PKcs for targeted phosphorylation of other NHEJ proteins as well as trans-phosphorylation of DNA-PKcs on the opposing DSB without disrupting the core ligation complex. Overall the results shed light on evolutionary conservation of Ku, X4, and L4 activities, while explaining the observation that Ku80CTR and DNA-PKcs only occur in a subset of higher eukaryotes.
C1 [Hammel, Michal; Chokshi, Chirayu; Tsai, Miaw-Sheue; Kuzdovich, Monica; Remesh, Soumya G.; Tainer, John A.] Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging, Berkeley, CA 94720 USA.
[Yu, Yaping; Radhakrishnan, Sarvan K.; Fang, Shujuan; Lees-Miller, Susan P.] Univ Calgary, Arnie Charbonneau Canc Inst, Dept Biochem & Mol Biol, Calgary, AB T2N 4N1, Canada.
[Matsumoto, Yoshihiro; Tomkinson, Alan E.] Univ New Mexico, Hlth Sci Ctr, Albuquerque, NM 87131 USA.
[Tainer, John A.] Univ Texas MD Anderson Canc Ctr, Dept Mol & Cellular Oncol, Houston, TX 77030 USA.
RP Hammel, M; Tainer, JA (reprint author), Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging, Berkeley, CA 94720 USA.; Lees-Miller, SP (reprint author), Univ Calgary, Arnie Charbonneau Canc Inst, Dept Biochem & Mol Biol, Calgary, AB T2N 4N1, Canada.; Tainer, JA (reprint author), Univ Texas MD Anderson Canc Ctr, Dept Mol & Cellular Oncol, Houston, TX 77030 USA.
EM mailmhammel@lbl.gov; leesmill@ucalgary.ca; JATainer@LBL.gov
FU National Institutes of Health MINOS (Macromolecular Insights on Nucleic
Acids Optimized by Scattering) [GM105404]; United States Department of
Energy program Integrated Diffraction Analysis Technologies (IDAT)
FX SAXS at the Advanced Light Source SIBYLS beamline is supported in part
by the National Institutes of Health MINOS (Macromolecular Insights on
Nucleic Acids Optimized by Scattering) Grant GM105404 and the United
States Department of Energy program Integrated Diffraction Analysis
Technologies (IDAT). We thank the Berkeley Lab Advanced Light Source and
SIBYLS beam line staff at 12.3.1 for aiding solution scattering data
collection, and Dr. M. Rey and L. Brechenmacher at the Southern Alberta
Mass Spectrometry Centre for mass spectrometry.
NR 73
TC 0
Z9 0
U1 9
U2 9
PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC
PI BETHESDA
PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA
SN 0021-9258
EI 1083-351X
J9 J BIOL CHEM
JI J. Biol. Chem.
PD DEC 30
PY 2016
VL 291
IS 53
BP 26987
EP 27006
DI 10.1074/jbc.M116.751867
PG 20
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA EH2CZ
UT WOS:000391576300004
PM 27875301
ER
PT J
AU Taprogge, J
Jungclaus, A
Grawe, H
Borzov, IN
Nishimura, S
Doornenbal, P
Lorusso, G
Simpson, GS
Soderstrom, PA
Sumikama, T
Xu, ZY
Baba, H
Browne, F
Fukuda, N
Gernhauser, R
Gey, G
Inabe, N
Isobe, T
Jung, HS
Kameda, D
Kim, GD
Kim, YK
Kojouharov, I
Kubo, T
Kurz, N
Kwon, YK
Li, Z
Sakurai, H
Schaffner, H
Shimizu, Y
Steiger, K
Suzuki, H
Takeda, H
Vajta, Z
Watanabe, H
Wu, J
Yagi, A
Yoshinaga, K
Benzoni, G
Bonig, S
Chae, KY
Coraggio, L
Daugas, JM
Drouet, F
Gadea, A
Gargano, A
Ilieva, S
Itaco, N
Kondev, FG
Kroll, T
Lane, GJ
Montaner-Piza, A
Moschner, K
Mucher, D
Naqvi, F
Niikura, M
Nishibata, H
Odahara, A
Orlandi, R
Patel, Z
Podolyak, Z
Wendt, A
AF Taprogge, J.
Jungclaus, A.
Grawe, H.
Borzov, I. N.
Nishimura, S.
Doornenbal, P.
Lorusso, G.
Simpson, G. S.
Soederstroem, P-A
Sumikama, T.
Xu, Z. Y.
Baba, H.
Browne, F.
Fukuda, N.
Gernhaeuser, R.
Gey, G.
Inabe, N.
Isobe, T.
Jung, H. S.
Kameda, D.
Kim, G. D.
Kim, Y-K.
Kojouharov, I.
Kubo, T.
Kurz, N.
Kwon, Y. K.
Li, Z.
Sakurai, H.
Schaffner, H.
Shimizu, Y.
Steiger, K.
Suzuki, H.
Takeda, H.
Vajta, Zs.
Watanabe, H.
Wu, J.
Yagi, A.
Yoshinaga, K.
Benzoni, G.
Boenig, S.
Chae, K. Y.
Coraggio, L.
Daugas, J-M.
Drouet, F.
Gadea, A.
Gargano, A.
Ilieva, S.
Itaco, N.
Kondev, F. G.
Kroell, T.
Lane, G. J.
Montaner-Piza, A.
Moschner, K.
Muecher, D.
Naqvi, F.
Niikura, M.
Nishibata, H.
Odahara, A.
Orlandi, R.
Patel, Z.
Podolyak, Zs.
Wendt, A.
TI Proton-hole and core-excited states in the semi-magic nucleus In-131(82)
(vol 52, pg 347, 2016)
SO EUROPEAN PHYSICAL JOURNAL A
LA English
DT Correction
C1 [Taprogge, J.; Jungclaus, A.] CSIC, Inst Estruct Mat, E-28006 Madrid, Spain.
[Taprogge, J.] Univ Autonoma Madrid, Dept Fis Teor, E-28049 Madrid, Spain.
[Taprogge, J.; Nishimura, S.; Doornenbal, P.; Lorusso, G.; Soederstroem, P-A; Baba, H.; Browne, F.; Fukuda, N.; Gey, G.; Inabe, N.; Isobe, T.; Kameda, D.; Kubo, T.; Sakurai, H.; Shimizu, Y.; Suzuki, H.; Takeda, H.; Vajta, Zs.; Watanabe, H.; Wu, J.] RIKEN, Nishina Ctr, 2-1 Hirosawa, Wako, Saitama 3510198, Japan.
[Grawe, H.] GSI Helmholtzzentrum Schwerionenforsch GmbH, D-64291 Darmstadt, Germany.
[Borzov, I. N.] Natl Res Ctr, Kurchatov Inst, Moscow 123182, Russia.
[Borzov, I. N.; Kojouharov, I.; Kurz, N.; Kwon, Y. K.; Schaffner, H.] Joint Inst Nucl Res, Dubna 141980, Russia.
[Lorusso, G.] Natl Phys Lab, Teddington TW11 0LW, Middx, England.
[Lorusso, G.; Patel, Z.; Podolyak, Zs.] Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England.
[Simpson, G. S.; Drouet, F.] Univ Joseph Fourier Grenoble 1, CNRS, Inst Natl Polytech Grenoble, LPSC,IN2P3, F-38026 Grenoble, France.
[Sumikama, T.] Tohoku Univ, Dept Phys, Aoba Ku, Sendai, Miyagi 9808578, Japan.
[Xu, Z. Y.; Sakurai, H.; Niikura, M.] Univ Tokyo, Dept Phys, Bunkyo Ku, Hongo 7-3-1, Tokyo 1130033, Japan.
[Browne, F.] Univ Brighton, Sch Comp Engn & Math, Brighton BN2 4GJ, E Sussex, England.
[Gernhaeuser, R.; Steiger, K.; Muecher, D.] Tech Univ Munich, Phys Dept E12, D-85748 Garching, Germany.
[Gey, G.] Inst Laue Langevin, BP 156, F-38042 Grenoble 9, France.
[Jung, H. S.] Chung Ang Univ, Dept Phys, Seoul 156756, South Korea.
[Kim, G. D.; Kim, Y-K.] Inst for Basic Sci Korea, Rare Isotope Sci Project, Daejeon 305811, South Korea.
[Kim, Y-K.] Hanyang Univ, Dept Nucl Engn, Seoul 133791, South Korea.
[Li, Z.; Wu, J.] Peking Univ, Sch Phys, Beijing 100871, Peoples R China.
[Li, Z.; Wu, J.] Peking Univ, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China.
[Vajta, Zs.] MTA Atomki, POB 51, H-4001 Debrecen, Hungary.
[Yagi, A.; Nishibata, H.; Odahara, A.] Osaka Univ, Dept Phys, Machikaneyama Machi 1-1, Toyonaka, Osaka 5600043, Japan.
[Yoshinaga, K.] Tokyo Univ Sci, Fac Sci & Technol, Dept Phys, 2641 Yamazaki, Noda, Chiba, Japan.
[Benzoni, G.] INFN, Sez Milano, Via Celoria 16, I-20133 Milan, Italy.
[Boenig, S.; Ilieva, S.; Kroell, T.] Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany.
[Chae, K. Y.] Sungkyunkwan Univ, Dept Phys, Suwon 440746, South Korea.
[Coraggio, L.; Gargano, A.] Ist Nazl Fis Nucl, Complesso Univ Monte S Angelo, I-80126 Naples, Italy.
[Daugas, J-M.] CEA, DIF, DAM, F-91297 Arpajon, France.
[Gadea, A.; Montaner-Piza, A.] Univ Valencia, CSIC, Inst Fis Corpuscular, E-46980 Paterna, Spain.
[Itaco, N.] Seconda Univ Napoli, Dipartimento Matemat & Fis, I-81100 Caserta, Italy.
[Kondev, F. G.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA.
[Lane, G. J.] Australian Natl Univ, Res Sch Phys Sci & Engn, Dept Nucl Phys, Canberra, ACT 0200, Australia.
[Moschner, K.; Wendt, A.] Univ Cologne, IKP, D-50937 Cologne, Germany.
[Naqvi, F.] Yale Univ, Wright Nucl Struct Lab, New Haven, CT 06520 USA.
[Orlandi, R.] Katholieke Univ Leuven, Inst Kern StralingsFys, B-3001 Heverlee, Belgium.
[Orlandi, R.] Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan.
[Jung, H. S.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA.
RP Jungclaus, A (reprint author), CSIC, Inst Estruct Mat, E-28006 Madrid, Spain.
EM andrea.jungclaus@csic.es
RI SAKURAI, HIROYOSHI/G-5085-2014
FU Spanish Ministerio de Ciencia e Innovacion [FPA2011-29854-C04]; Spanish
Ministerio de Economia y Competitividad [FPA2014-57196-C5-4-P];
Generalitat Valenciana (Spain) [PROMETEO/2010/101]; National Research
Foundation of Korea (NRF) - Korea government (MEST)
[NRF-2014S1A2A2028636]; Priority Centers Research Program in Korea
[2009-0093817]; OTKA [K-100835]; JSPS KAKENHI [25247045]; IN2P3-RFBR
[110291054]; STFC (UK); European Commission [300096]; U.S. Department of
Energy, Office of Nuclear Physics [DE-AC02-06CH11357]; RIKEN foreign
research program; German BMBF [05P12RDCIA, 05P12RDNUP]; HIC for FAIR;
RFBR [16-02-00228]
FX We thank the staff of the RIKEN Nishina Center accelerator complex for
providing stable beams with high intensities for the experiment. We
acknowledge the EUROBALL Owners Committee for the loan of germanium
detectors and the PreSpec Collaboration for the readout electronics of
the cluster detectors. This work was supported by the Spanish Ministerio
de Ciencia e Innovacion under contract FPA2011-29854-C04 and the Spanish
Ministerio de Economia y Competitividad under contract
FPA2014-57196-C5-4-P, the Generalitat Valenciana (Spain) under grant
PROMETEO/2010/101, the National Research Foundation of Korea (NRF) grant
funded by the Korea government (MEST) (No. NRF-2014S1A2A2028636), the
Priority Centers Research Program in Korea (2009-0093817), OTKA contract
number K-100835, JSPS KAKENHI (Grant No. 25247045), the Grant by
IN2P3-RFBR under Agreement No. 110291054, the STFC (UK), the European
Commission through the Marie Curie Actions call FP7-PEOPLE-2011-IEF
under Contract No. 300096, the U.S. Department of Energy, Office of
Nuclear Physics, under Contract No. DE-AC02-06CH11357, the "RIKEN
foreign research program" and the German BMBF (No. 05P12RDCIA and
05P12RDNUP) and HIC for FAIR. One of the authors (INB) was supported by
RFBR grant 16-02-00228.
NR 1
TC 0
Z9 0
U1 8
U2 8
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1434-6001
EI 1434-601X
J9 EUR PHYS J A
JI Eur. Phys. J. A
PD DEC 30
PY 2016
VL 52
IS 12
AR 375
DI 10.1140/epja/i2016-16375-7
PG 2
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA EH0BN
UT WOS:000391427500003
ER
PT J
AU Barbieri, R
Murphy, CW
Senia, F
AF Barbieri, Riccardo
Murphy, Christopher W.
Senia, Fabrizio
TI B-decay anomalies in a composite leptoquark model
SO EUROPEAN PHYSICAL JOURNAL C
LA English
DT Article
ID SCALAR LEPTOQUARKS; R-K; SYMMETRY; COLLISIONS; PUZZLES
AB The collection of a few anomalies in semileptonic B-decays, especially in b -> c tau(nu) over bar, invites to speculate about the emergence of some striking new phenomena, perhaps interpretable in terms of a weakly broken U(2)(n) flavor symmetry and of leptoquark mediators. Here we aim at a partial UV completion of this interpretation by generalizing the minimal composite Higgs model to include a composite vector leptoquark as well.
C1 [Barbieri, Riccardo; Murphy, Christopher W.; Senia, Fabrizio] Scuola Normale Super Pisa, Piazza Cavalieri 7, I-56126 Pisa, Italy.
[Barbieri, Riccardo; Murphy, Christopher W.; Senia, Fabrizio] INFN, Pisa, Italy.
[Murphy, Christopher W.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
RP Barbieri, R (reprint author), Scuola Normale Super Pisa, Piazza Cavalieri 7, I-56126 Pisa, Italy.; Barbieri, R (reprint author), INFN, Pisa, Italy.
EM riccardo.barbieri@sns.it; cmurphy@bnl.gov; fabrizio.senia@sns.it
FU Swiss National Science Foundation [200021-159720]; Italian Ministry of
Education, University and Research's Fund for Investment in Basic
Research [RBFR12H1MW]; United States Department of Energy grant
[de-sc0012704]
FX We thank Oleksii Matsedonskyi for useful discussions, David Straub for
useful discussions and comments on the manuscript, and the Institute of
Theoretical Studies at ETH Zurich for its hospitality while part of this
work was completed. The work of RB was supported in part by the Swiss
National Science Foundation under contract 200021-159720. The work of CM
was supported in part by the Italian Ministry of Education, University
and Research's Fund for Investment in Basic Research under grant
RBFR12H1MW, and by the United States Department of Energy under grant
contract de-sc0012704.
NR 58
TC 3
Z9 3
U1 0
U2 0
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1434-6044
EI 1434-6052
J9 EUR PHYS J C
JI Eur. Phys. J. C
PD DEC 30
PY 2016
VL 77
IS 1
AR 8
DI 10.1140/epjc/s10052-016-4578-7
PG 13
WC Physics, Particles & Fields
SC Physics
GA EG9RW
UT WOS:000391398200003
ER
PT J
AU Boughezal, R
Campbell, JM
Ellis, RK
Focke, C
Giele, W
Liu, XH
Petriello, F
Williams, C
AF Boughezal, Radja
Campbell, John M.
Ellis, R. Keith
Focke, Christfried
Giele, Walter
Liu, Xiaohui
Petriello, Frank
Williams, Ciaran
TI Color-singlet production at NNLO in MCFM
SO EUROPEAN PHYSICAL JOURNAL C
LA English
DT Article
ID HIGGS-BOSON PRODUCTION; JET CROSS-SECTIONS; TO-LEADING ORDER; COLLINEAR
EFFECTIVE THEORY; DOUBLE-REAL RADIATION; HADRON COLLIDERS; SECTOR
DECOMPOSITION; NUMERICAL EVALUATION; MULTILOOP INTEGRALS; QCD
CORRECTIONS
AB We present the implementation of several colorsinglet final-state processes at Next-to-Next-to Leading Order (NNLO) accuracy in QCD to the publicly available parton-level Monte Carlo program MCFM. Specifically we discuss the processes pp. H, pp. Z, pp. W, pp -> HZ, pp -> HW and pp -> gamma gamma. Decays of the unstable bosons are fully included, resulting in a flexible fully differential Monte Carlo code. The NNLO corrections have been calculated using the non-local N-jettiness subtraction approach. Special attention is given to the numerical aspects of running MCFM for these processes at this order. We pay particular attention to the systematic uncertainties due to the power corrections induced by the N-jettiness regularization scheme and the evaluation time needed to run the hybrid openMP/ MPI version of MCFM at NNLO on multiprocessor systems.
C1 [Boughezal, Radja; Petriello, Frank] Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA.
[Campbell, John M.; Giele, Walter] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
[Ellis, R. Keith] Univ Durham, Inst Particle Phys Phenomenol, Dept Phys, Durham DH1 3LE, England.
[Focke, Christfried; Petriello, Frank] Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA.
[Liu, Xiaohui] Univ Maryland, Maryland Ctr Fundamental Phys, College Pk, MD 20742 USA.
[Williams, Ciaran] SUNY Buffalo, Dept Phys, Buffalo, NY 14260 USA.
RP Boughezal, R (reprint author), Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA.
EM rboughezal@anl.gov; johnmc@fnal.gov; keith.ellis@durham.ac.uk;
christfried.focke@northwestern.edu; giele@fnal.gov; xhliu@umd.edu;
f-petriello@northwestern.edu; ciaranwi@buffalo.edu
FU DOE [DE-AC02-06CH11357, DE-AC02-07CH11359, DE-FG02-93ER-40762,
DE-FG02-91ER40684]; NSF [PHY-1520916]; Center for Computational Research
at the University at Buffalo; U. S. National Science Foundation [NSF
PHY11-25915, NSF PHY-1619877]
FX RKE would like to thank Robert Harlander for helpful discussions. R. B.
is supported by the DOE contract DE-AC02-06CH11357. J. C. and W. G. are
supported by the DOE contract DE-AC02-07CH11359. C. F. is supported by
the NSF Grant PHY-1520916. X. L. is supported by the DOE Grant
DE-FG02-93ER-40762. F. P. is supported by the DOE Grants
DE-FG02-91ER40684 and DE-AC02-06CH11357. Support was provided by the
Center for Computational Research at the University at Buffalo. R. B.,
W. G., X. L., and F. P. thank the Kavli Institute for Theoretical
Physics at the University of California, Santa Barbara, which is
supported by the U. S. National Science Foundation under Grant No. NSF
PHY11-25915. C. W. is supported U. S. National Science Foundation under
Grant No. NSF PHY-1619877
NR 89
TC 1
Z9 1
U1 0
U2 0
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1434-6044
EI 1434-6052
J9 EUR PHYS J C
JI Eur. Phys. J. C
PD DEC 30
PY 2016
VL 77
IS 1
AR 7
DI 10.1140/epjc/s10052-016-4558-y
PG 18
WC Physics, Particles & Fields
SC Physics
GA EG9RW
UT WOS:000391398200002
ER
PT J
AU Aab, A
Abreu, P
Aglietta, M
Al Samarai, I
Albuquerque, IFM
Allekotte, I
Almela, A
Castillo, JA
Alvarez-Muniz, J
Ambrosio, M
Anastasi, GA
Anchordoqui, L
Andrada, B
Andringa, S
Aramo, C
Arqueros, F
Arsene, N
Asorey, H
Assis, P
Aublin, J
Avila, G
Badescu, AM
Balaceanu, A
Luz, RJB
Baus, C
Beatty, JJ
Becker, KH
Bellido, JA
Berat, C
Bertaina, ME
Bertou, X
Biermann, PL
Billoir, P
Biteau, J
Blaess, SG
Blanco, A
Blazek, J
Bleve, C
Bohacova, M
Boncioli, D
Bonifazi, C
Borodai, N
Botti, AM
Brack, J
Brancus, I
Bretz, T
Bridgeman, A
Briechle, FL
Buchholz, P
Bueno, A
Buitink, S
Buscemi, M
Caballero-Mora, KS
Caccianiga, L
Cancio, A
Canfora, F
Caramete, L
Caruso, R
Castellina, A
Cataldi, G
Cazon, L
Cester, R
Chavez, AG
Chinellato, JA
Chudoba, J
Clay, RW
Colalillo, R
Coleman, A
Collica, L
Coluccia, MR
Conceicao, R
Contreras, F
Cooper, MJ
Coutu, S
Covault, CE
Cronin, J
D'Amico, S
Daniel, B
Dasso, S
Daumiller, K
Dawson, BR
de Almeida, RM
de Jong, SJ
De Mauro, G
Neto, JRTD
De Mitri, I
De Oliveira, J
de Souza, V
Debatin, J
Deligny, O
Di Giulio, C
Di Matteo, A
Castro, MLD
Diogo, F
Dobrigkeit, C
D'Olivo, JC
Dorofeev, A
dos Anjos, RC
Dova, MT
Dundovic, A
Ebr, J
Engel, R
Erdmann, M
Erfani, M
Escobar, CO
Espadanal, J
Etchegoyen, A
Falcke, H
Fang, K
Farrar, G
Fauth, AC
Fazzini, N
Fick, B
Figueira, JM
Filipcic, A
Fratu, O
Freire, MM
Fujii, T
Fuster, A
Gaior, R
Garcia, B
Garcia-Pinto, D
Gate, F
Gemmeke, H
Gherghel-Lascu, A
Ghia, PL
Giaccari, U
Giammarchi, M
Giller, M
Glas, D
Glaser, C
Glass, H
Golup, G
Berisso, MG
Vitale, PFG
Gonzalez, N
Gookin, B
Gorgi, A
Gorham, P
Gouffon, P
Grillo, AF
Grubb, TD
Guarino, F
Guedes, GP
Hampel, MR
Hansen, P
Harari, D
Harrison, TA
Harton, JL
Hasankiadeh, Q
Haungs, A
Hebbeker, T
Heck, D
Heimann, P
Herve, AE
Hill, GC
Hojvat, C
Holt, E
Homola, P
Horandel, JR
Horvath, P
Hrabovsky, M
Huege, T
Hulsman, J
Insolia, A
Isar, PG
Jandt, I
Jansen, S
Johnsen, JA
Josebachuili, M
Kaapa, A
Kambeitz, O
Kampert, KH
Kasper, P
Katkov, I
Keilhauer, B
Kemp, E
Kemp, J
Kieckhafer, RM
Klages, HO
Kleifges, M
Kleinfeller, J
Krause, R
Krohm, N
Kuempel, D
Mezek, GK
Kunka, N
Awad, AK
LaHurd, D
Lauscher, M
Lebrun, P
Legumina, R
de Oliveira, MAL
Letessier-Selvon, A
Lhenry-Yvon, I
Link, K
Lopes, L
Lopez, R
Casado, AL
Luce, Q
Lucero, A
Malacari, M
Mallamaci, M
Mandat, D
Mantsch, P
Mariazzi, AG
Maris, IC
Marsella, G
Martello, D
Martinez, H
Bravo, OM
Meza, JJM
Mathes, HJ
Mathys, S
Matthews, J
Matthews, JAJ
Matthiae, G
Mayotte, E
Mazur, PO
Medina, C
Medina-Tanco, G
Melo, D
Menshikov, A
Messina, S
Micheletti, MI
Middendorf, L
Minaya, IA
Miramonti, L
Mitrica, B
Mockler, D
Molina-Bueno, L
Mollerach, S
Montanet, F
Morello, C
Mostafa, M
Muller, G
Muller, MA
Muller, S
Naranjo, I
Nellen, L
Neuser, J
Nguyen, PH
Niculescu-Oglinzanu, M
Niechciol, M
Niemietz, L
Niggemann, T
Nitz, D
Nosek, D
Novotny, V
Nozka, H
Nunez, LA
Ochilo, L
Oikonomou, F
Olinto, A
Selmi-Dei, DP
Palatka, M
Pallotta, J
Papenbreer, P
Parente, G
Parra, A
Paul, T
Pech, M
Pedreira, F
Pekala, J
Pelayo, R
Pena-Rodriguez, J
Pereira, LAS
Perrone, L
Peters, C
Petrera, S
Phuntsok, J
Piegaia, R
Pierog, T
Pieroni, P
Pimenta, M
Pirronello, V
Platino, M
Plum, M
Porowski, C
Prado, RR
Privitera, P
Prouza, M
Quel, EJ
Querchfeld, S
Quinn, S
Ramos-Pollan, R
Rautenberg, J
Ravignani, D
Reinert, D
Revenu, B
Ridky, J
Risse, M
Ristori, P
Rizi, V
de Carvalho, WR
Fernandez, GR
Rojo, JR
Rogozin, D
Roth, M
Roulet, E
Rovero, AC
Saffi, SJ
Saftoiu, A
Salazar, H
Saleh, A
Greus, FS
Salina, G
Gomez, JDS
Sanchez, F
Sanchez-Lucas, P
Santos, EM
Santos, E
Sarazin, F
Sarkar, B
Sarmento, R
Sarmiento, CA
Sato, R
Schauer, M
Scherini, V
Schieler, H
Schimp, M
Schmidt, D
Scholten, O
Schovanek, P
Schroder, FG
Schulz, A
Schulz, J
Schumacher, J
Sciutto, SJ
Segreto, A
Settimo, M
Shadkam, A
Shellard, RC
Sigl, G
Silli, G
Sima, O
Smialkowski, A
Smida, R
Snow, GR
Sommers, P
Sonntag, S
Sorokin, J
Squartini, R
Stanca, D
Stanic, S
Stasielak, J
Stassi, P
Strafella, F
Suarez, F
Duran, MS
Sudholz, T
Suomijarvi, T
Supanitsky, AD
Swain, J
Szadkowski, Z
Taboada, A
Taborda, OA
Tapia, A
Theodoro, VM
Timmermans, C
Peixoto, CJT
Tomankova, L
Tome, B
Elipe, GT
Machado, DT
Torri, M
Travnicek, P
Trini, M
Ulrich, R
Unger, M
Urban, M
Galicia, JFV
Valino, I
Valore, L
van Aar, G
van Bodegom, P
van den Berg, AM
van Vliet, A
Varela, E
Cardenas, BV
Varner, G
Vazquez, JR
Vazquez, RA
Veberic, D
Quispe, IDV
Verzi, V
Vicha, J
Villasenor, L
Vorobiov, S
Wahlberg, H
Wainberg, O
Walz, D
Watson, AA
Weber, M
Weindl, A
Wiencke, L
Wilczynski, H
Winchen, T
Wittkowski, D
Wundheiler, B
Wykes, S
Yang, L
Yelos, D
Yushkov, A
Zas, E
Zavrtanik, D
Zavrtanik, M
Zepeda, A
Zimmermann, B
Ziolkowski, M
Zong, Z
Zuccarello, F
AF Aab, A.
Abreu, P.
Aglietta, M.
Al Samarai, I.
Albuquerque, I. F. M.
Allekotte, I.
Almela, A.
Alvarez Castillo, J.
Alvarez-Muniz, J.
Ambrosio, M.
Anastasi, G. A.
Anchordoqui, L.
Andrada, B.
Andringa, S.
Aramo, C.
Arqueros, F.
Arsene, N.
Asorey, H.
Assis, P.
Aublin, J.
Avila, G.
Badescu, A. M.
Balaceanu, A.
Barreira Luz, R. J.
Baus, C.
Beatty, J. J.
Becker, K. H.
Bellido, J. A.
Berat, C.
Bertaina, M. E.
Bertou, X.
Biermann, P. L.
Billoir, P.
Biteau, J.
Blaess, S. G.
Blanco, A.
Blazek, J.
Bleve, C.
Bohacova, M.
Boncioli, D.
Bonifazi, C.
Borodai, N.
Botti, A. M.
Brack, J.
Brancus, I.
Bretz, T.
Bridgeman, A.
Briechle, F. L.
Buchholz, P.
Bueno, A.
Buitink, S.
Buscemi, M.
Caballero-Mora, K. S.
Caccianiga, L.
Cancio, A.
Canfora, F.
Caramete, L.
Caruso, R.
Castellina, A.
Cataldi, G.
Cazon, L.
Cester, R.
Chavez, A. G.
Chinellato, J. A.
Chudoba, J.
Clay, R. W.
Colalillo, R.
Coleman, A.
Collica, L.
Coluccia, M. R.
Conceicao, R.
Contreras, F.
Cooper, M. J.
Coutu, S.
Covault, C. E.
Cronin, J.
D'Amico, S.
Daniel, B.
Dasso, S.
Daumiller, K.
Dawson, B. R.
de Almeida, R. M.
de Jong, S. J.
De Mauro, G.
de Mello Neto, J. R. T.
De Mitri, I.
De Oliveira, J.
de Souza, V.
Debatin, J.
Deligny, O.
Di Giulio, C.
Di Matteo, A.
Diaz Castro, M. L.
Diogo, F.
Dobrigkeit, C.
D'Olivo, J. C.
Dorofeev, A.
dos Anjos, R. C.
Dova, M. T.
Dundovic, A.
Ebr, J.
Engel, R.
Erdmann, M.
Erfani, M.
Escobar, C. O.
Espadanal, J.
Etchegoyen, A.
Falcke, H.
Fang, K.
Farrar, G.
Fauth, A. C.
Fazzini, N.
Fick, B.
Figueira, J. M.
Filipcic, A.
Fratu, O.
Freire, M. M.
Fujii, T.
Fuster, A.
Gaior, R.
Garcia, B.
Garcia-Pinto, D.
Gate, F.
Gemmeke, H.
Gherghel-Lascu, A.
Ghia, P. L.
Giaccari, U.
Giammarchi, M.
Giller, M.
Glas, D.
Glaser, C.
Glass, H.
Golup, G.
Gomez Berisso, M.
Gomez Vitale, P. F.
Gonzalez, N.
Gookin, B.
Gorgi, A.
Gorham, P.
Gouffon, P.
Grillo, A. F.
Grubb, T. D.
Guarino, F.
Guedes, G. P.
Hampel, M. R.
Hansen, P.
Harari, D.
Harrison, T. A.
Harton, J. L.
Hasankiadeh, Q.
Haungs, A.
Hebbeker, T.
Heck, D.
Heimann, P.
Herve, A. E.
Hill, G. C.
Hojvat, C.
Holt, E.
Homola, P.
Horandel, J. R.
Horvath, P.
Hrabovsky, M.
Huege, T.
Hulsman, J.
Insolia, A.
Isar, P. G.
Jandt, I.
Jansen, S.
Johnsen, J. A.
Josebachuili, M.
Kaeaepae, A.
Kambeitz, O.
Kampert, K. H.
Kasper, P.
Katkov, I.
Keilhauer, B.
Kemp, E.
Kemp, J.
Kieckhafer, R. M.
Klages, H. O.
Kleifges, M.
Kleinfeller, J.
Krause, R.
Krohm, N.
Kuempel, D.
Mezek, G. Kukec
Kunka, N.
Awad, A. Kuotb
LaHurd, D.
Lauscher, M.
Lebrun, P.
Legumina, R.
Leigui de Oliveira, M. A.
Letessier-Selvon, A.
Lhenry-Yvon, I.
Link, K.
Lopes, L.
Lopez, R.
Lopez Casado, A.
Luce, Q.
Lucero, A.
Malacari, M.
Mallamaci, M.
Mandat, D.
Mantsch, P.
Mariazzi, A. G.
Maris, I. C.
Marsella, G.
Martello, D.
Martinez, H.
Martinez Bravo, O.
Masias Meza, J. J.
Mathes, H. J.
Mathys, S.
Matthews, J.
Matthews, J. A. J.
Matthiae, G.
Mayotte, E.
Mazur, P. O.
Medina, C.
Medina-Tanco, G.
Melo, D.
Menshikov, A.
Messina, S.
Micheletti, M. I.
Middendorf, L.
Minaya, I. A.
Miramonti, L.
Mitrica, B.
Mockler, D.
Molina-Bueno, L.
Mollerach, S.
Montanet, F.
Morello, C.
Mostafa, M.
Mueller, G.
Muller, M. A.
Mueller, S.
Naranjo, I.
Nellen, L.
Neuser, J.
Nguyen, P. H.
Niculescu-Oglinzanu, M.
Niechciol, M.
Niemietz, L.
Niggemann, T.
Nitz, D.
Nosek, D.
Novotny, V.
Nozka, H.
Nunez, L. A.
Ochilo, L.
Oikonomou, F.
Olinto, A.
Pakk Selmi-Dei, D.
Palatka, M.
Pallotta, J.
Papenbreer, P.
Parente, G.
Parra, A.
Paul, T.
Pech, M.
Pedreira, F.
Pekala, J.
Pelayo, R.
Pena-Rodriguez, J.
Pereira, L. A. S.
Perrone, L.
Peters, C.
Petrera, S.
Phuntsok, J.
Piegaia, R.
Pierog, T.
Pieroni, P.
Pimenta, M.
Pirronello, V.
Platino, M.
Plum, M.
Porowski, C.
Prado, R. R.
Privitera, P.
Prouza, M.
Quel, E. J.
Querchfeld, S.
Quinn, S.
Ramos-Pollan, R.
Rautenberg, J.
Ravignani, D.
Reinert, D.
Revenu, B.
Ridky, J.
Risse, M.
Ristori, P.
Rizi, V.
Rodrigues de Carvalho, W.
Fernandez, G. Rodriguez
Rodriguez Rojo, J.
Rogozin, D.
Roth, M.
Roulet, E.
Rovero, A. C.
Saffi, S. J.
Saftoiu, A.
Salazar, H.
Saleh, A.
Greus, F. Salesa
Salina, G.
Sanabria Gomez, J. D.
Sanchez, F.
Sanchez-Lucas, P.
Santos, E. M.
Santos, E.
Sarazin, F.
Sarkar, B.
Sarmento, R.
Sarmiento, C. A.
Sato, R.
Schauer, M.
Scherini, V.
Schieler, H.
Schimp, M.
Schmidt, D.
Scholten, O.
Schovanek, P.
Schroeder, F. G.
Schulz, A.
Schulz, J.
Schumacher, J.
Sciutto, S. J.
Segreto, A.
Settimo, M.
Shadkam, A.
Shellard, R. C.
Sigl, G.
Silli, G.
Sima, O.
Smialkowski, A.
Smida, R.
Snow, G. R.
Sommers, P.
Sonntag, S.
Sorokin, J.
Squartini, R.
Stanca, D.
Stanic, S.
Stasielak, J.
Stassi, P.
Strafella, F.
Suarez, F.
Suarez Duran, M.
Sudholz, T.
Suomijarvi, T.
Supanitsky, A. D.
Swain, J.
Szadkowski, Z.
Taboada, A.
Taborda, O. A.
Tapia, A.
Theodoro, V. M.
Timmermans, C.
Todero Peixoto, C. J.
Tomankova, L.
Tome, B.
Torralba Elipe, G.
Torres Machado, D.
Torri, M.
Travnicek, P.
Trini, M.
Ulrich, R.
Unger, M.
Urban, M.
Valdes Galicia, J. F.
Valino, I.
Valore, L.
van Aar, G.
van Bodegom, P.
van den Berg, A. M.
van Vliet, A.
Varela, E.
Vargas Cardenas, B.
Varner, G.
Vazquez, J. R.
Vazquez, R. A.
Veberic, D.
Vergara Quispe, I. D.
Verzi, V.
Vicha, J.
Villasenor, L.
Vorobiov, S.
Wahlberg, H.
Wainberg, O.
Walz, D.
Watson, A. A.
Weber, M.
Weindl, A.
Wiencke, L.
Wilczynski, H.
Winchen, T.
Wittkowski, D.
Wundheiler, B.
Wykes, S.
Yang, L.
Yelos, D.
Yushkov, A.
Zas, E.
Zavrtanik, D.
Zavrtanik, M.
Zepeda, A.
Zimmermann, B.
Ziolkowski, M.
Zong, Z.
Zuccarello, F.
CA Pierre Auger Collaboration
TI Ultrahigh-energy neutrino follow-up of gravitational wave events
GW150914 and GW151226 with the Pierre Auger Observatory
SO PHYSICAL REVIEW D
LA English
DT Article
ID GAMMA-RAY BURSTS
AB On September 14, 2015 the Advanced LIGO detectors observed their first gravitational wave (GW) transient GW150914. This was followed by a second GW event observed on December 26, 2015. Both events were inferred to have arisen from the merger of black holes in binary systems. Such a system may emit neutrinos if there are magnetic fields and disk debris remaining from the formation of the two black holes. With the surface detector array of the Pierre Auger Observatory we can search for neutrinos with energy E-nu above 100 PeV from pointlike sources across the sky with equatorial declination from about -65 degrees to +60 degrees, and, in particular, from a fraction of the 90% confidence-level inferred positions in the sky of GW150914 and GW151226. A targeted search for highly inclined extensive air showers, produced either by interactions of downward-going neutrinos of all flavors in the atmosphere or by the decays of tau leptons originating from tau-neutrino interactions in the Earth's crust (Earth-skimming neutrinos), yielded no candidates in the Auger data collected within +/- 500 s around or 1 day after the coordinated universal time (UTC) of GW150914 and GW151226, as well as in the same search periods relative to the UTC time of the GW candidate event LVT151012. From the nonobservation we constrain the amount of energy radiated in ultrahigh-energy neutrinos from such remarkable events.
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[Abreu, P.; Andringa, S.; Assis, P.; Barreira Luz, R. J.; Blanco, A.; Cazon, L.; Conceicao, R.; Diogo, F.; Espadanal, J.; Lopes, L.; Pimenta, M.; Sarmento, R.; Tome, B.] Univ Lisbon, Lab Instrumentacao & Fis Expt Particulas LIP, Lisbon, Portugal.
[Abreu, P.; Andringa, S.; Assis, P.; Barreira Luz, R. J.; Blanco, A.; Cazon, L.; Conceicao, R.; Diogo, F.; Espadanal, J.; Lopes, L.; Pimenta, M.; Sarmento, R.; Tome, B.] Univ Lisbon, IST, Lisbon, Portugal.
[Aglietta, M.; Castellina, A.; Gorgi, A.; Morello, C.] Osservatorio Astrofis Torino INAF, Turin, Italy.
[Aglietta, M.; Bertaina, M. E.; Castellina, A.; Cester, R.; Collica, L.; Gorgi, A.; Morello, C.] INFN, Sez Torino, Turin, Italy.
[Al Samarai, I.; Aublin, J.; Billoir, P.; Caccianiga, L.; Gaior, R.; Ghia, P. L.; Letessier-Selvon, A.; Settimo, M.] Univ Paris 06, LPNHE, CNRS, IN2P3, Paris, France.
[Al Samarai, I.; Aublin, J.; Billoir, P.; Caccianiga, L.; Gaior, R.; Ghia, P. L.; Letessier-Selvon, A.; Settimo, M.] Univ Paris 07, LPNHE, CNRS, IN2P3, Paris, France.
[Albuquerque, I. F. M.; Gouffon, P.; Rodrigues de Carvalho, W.; Santos, E. M.] Univ Sao Paulo, Inst Fis, Sao Paulo, Brazil.
[Allekotte, I.; Asorey, H.; Bertou, X.; Golup, G.; Gomez Berisso, M.; Harari, D.; Mollerach, S.; Naranjo, I.; Roulet, E.; Taborda, O. A.] Ctr Atom Bariloche, San Carlos De Bariloche, Rio Negro, Argentina.
[Allekotte, I.; Asorey, H.; Bertou, X.; Golup, G.; Gomez Berisso, M.; Harari, D.; Mollerach, S.; Naranjo, I.; Roulet, E.; Taborda, O. A.] Inst Balseiro, CNEA UNCuyo CONICET, San Carlos De Bariloche, Rio Negro, Argentina.
[Almela, A.; Andrada, B.; Botti, A. M.; Cancio, A.; Etchegoyen, A.; Figueira, J. M.; Fuster, A.; Gonzalez, N.; Hampel, M. R.; Holt, E.; Hulsman, J.; Josebachuili, M.; Lucero, A.; Melo, D.; Mueller, S.; Platino, M.; Ravignani, D.; Sanchez, F.; Santos, E.; Sarmiento, C. A.; Schmidt, D.; Silli, G.; Suarez, F.; Tapia, A.; Wainberg, O.; Wundheiler, B.; Yelos, D.; Yushkov, A.] UNSAM, CNEA, Inst Tecnol Detecc & Astroparticulas, Ctr Atom Constituyentes,CONICET, Buenos Aires, DF, Argentina.
[Almela, A.; Cancio, A.; Etchegoyen, A.; Fuster, A.; Lucero, A.; Suarez, F.; Wainberg, O.; Yelos, D.] Univ Tecnol Nacl, Fac Reg Buenos Aires, Buenos Aires, DF, Argentina.
[Alvarez Castillo, J.; D'Olivo, J. C.; Medina-Tanco, G.; Nellen, L.; Valdes Galicia, J. F.; Vargas Cardenas, B.] Univ Nacl Autonoma Mexico, Mexico City, DF, Mexico.
[Alvarez-Muniz, J.; Lopez Casado, A.; Parente, G.; Pedreira, F.; Torralba Elipe, G.; Valino, I.; Vazquez, R. A.; Zas, E.] Univ Santiago de Compostela, Santiago De Compostela, Spain.
[Ambrosio, M.; Aramo, C.; Colalillo, R.; Guarino, F.; Valore, L.] INFN, Sez Napoli, Naples, Italy.
[Anastasi, G. A.; Petrera, S.] INFN, Gran Sasso Sci Inst, Laquila, Italy.
[Anchordoqui, L.] CUNY Herbert H Lehman Coll, Dept Phys & Astron, Bronx, NY 10468 USA.
[Arqueros, F.; Garcia-Pinto, D.; Minaya, I. A.; Vazquez, J. R.] Univ Complutense Madrid, Madrid, Spain.
[Arsene, N.; Sima, O.] Univ Bucharest, Phys Dept, Bucharest, Romania.
[Asorey, H.; Nunez, L. A.; Pena-Rodriguez, J.; Ramos-Pollan, R.; Sanabria Gomez, J. D.; Suarez Duran, M.] Univ Ind Santander, Bucaramanga, Colombia.
[Avila, G.; Contreras, F.; Gomez Vitale, P. F.; Kleinfeller, J.; Rodriguez Rojo, J.; Sato, R.; Squartini, R.] Observ Pierre Auger, Mendoza, Argentina.
[Avila, G.; Contreras, F.; Gomez Vitale, P. F.] Comis Nacl Energia Atom, Mendoza, Argentina.
[Badescu, A. M.; Fratu, O.] Univ Politehn Bucuresti, Bucharest, Romania.
[Balaceanu, A.; Brancus, I.; Gherghel-Lascu, A.; Mitrica, B.; Niculescu-Oglinzanu, M.; Saftoiu, A.; Stanca, D.] Horia Hulubei Natl Inst Phys & Nucl Engn, Bucharest, Romania.
[Baus, C.; Herve, A. E.; Kambeitz, O.; Katkov, I.; Link, K.; Mockler, D.; Taboada, A.] Inst Expt Kernphys IEKP, Karlsruhe Inst Technol, Karlsruhe, Germany.
[Beatty, J. J.] Ohio State Univ, Columbus, OH 43210 USA.
[Becker, K. H.; Jandt, I.; Kaeaepae, A.; Kampert, K. H.; Krohm, N.; Mathys, S.; Mayotte, E.; Neuser, J.; Niemietz, L.; Papenbreer, P.; Querchfeld, S.; Rautenberg, J.; Sarkar, B.; Schauer, M.; Schimp, M.; Winchen, T.; Wittkowski, D.] Berg Univ Wuppertal, Dept Phys, Wuppertal, Germany.
[Bellido, J. A.; Blaess, S. G.; Clay, R. W.; Cooper, M. J.; Dawson, B. R.; Grubb, T. D.; Harrison, T. A.; Hill, G. C.; Nguyen, P. H.; Saffi, S. J.; Sorokin, J.; Sudholz, T.; van Bodegom, P.] Univ Adelaide, Adelaide, SA, Australia.
[Berat, C.; Montanet, F.; Stassi, P.] Univ Grenoble Alpes, LPSC, CNRS, IN2P3, Grenoble, France.
[Bertaina, M. E.; Cester, R.] Univ Turin, Dipartimento Fis, Turin, Italy.
[Biermann, P. L.] Max Planck Inst Radioastron, Bonn, Germany.
[Biteau, J.; Deligny, O.; Lhenry-Yvon, I.; Luce, Q.; Suomijarvi, T.; Zong, Z.] Univ Paris 11, CNRS, IN2P3, IPNO, Orsay, France.
[Blazek, J.; Bohacova, M.; Chudoba, J.; Ebr, J.; Mandat, D.; Palatka, M.; Pech, M.; Prouza, M.; Ridky, J.; Schovanek, P.; Travnicek, P.; Vicha, J.] Acad Sci Czech Republic, Inst Phys FZU, Prague, Czech Republic.
[Bleve, C.; Coluccia, M. R.; De Mitri, I.; Marsella, G.; Martello, D.; Perrone, L.; Scherini, V.; Strafella, F.] Univ Salento, Dipartimento Matemat Fis E De Giorgi, Lecce, Italy.
[Bleve, C.; Cataldi, G.; Coluccia, M. R.; D'Amico, S.; De Mitri, I.; Marsella, G.; Martello, D.; Perrone, L.; Scherini, V.; Strafella, F.] INFN, Sez Lecce, Lecce, Italy.
[Boncioli, D.; Grillo, A. F.] INFN, Lab Nazl Gran Sasso, Assergi, Italy.
[Bonifazi, C.; de Mello Neto, J. R. T.; Giaccari, U.] Univ Fed Rio de Janeiro, Inst Fis, Rio de Janeiro, Brazil.
[Borodai, N.; Homola, P.; Pekala, J.; Porowski, C.; Stasielak, J.; Wilczynski, H.] Inst Nucl Phys PAN, Krakow, Poland.
[Botti, A. M.; Bridgeman, A.; Daumiller, K.; Debatin, J.; Engel, R.; Gonzalez, N.; Haungs, A.; Heck, D.; Holt, E.; Huege, T.; Hulsman, J.; Keilhauer, B.; Klages, H. O.; Awad, A. Kuotb; Mathes, H. J.; Mueller, S.; Pierog, T.; Rogozin, D.; Roth, M.; Schieler, H.; Schmidt, D.; Schroeder, F. G.; Schulz, A.; Silli, G.; Smida, R.; Tomankova, L.; Ulrich, R.; Unger, M.; Veberic, D.; Weindl, A.] IKP, Karlsruhe Inst Technol, Karlsruhe, Germany.
[Brack, J.; Dorofeev, A.; Gookin, B.; Harton, J. L.] Colorado State Univ, Ft Collins, CO 80523 USA.
[Bretz, T.; Briechle, F. L.; Erdmann, M.; Glaser, C.; Hebbeker, T.; Kemp, J.; Krause, R.; Kuempel, D.; Lauscher, M.; Middendorf, L.; Mueller, G.; Niggemann, T.; Peters, C.; Plum, M.; Reinert, D.; Schumacher, J.; Urban, M.; Walz, D.] Rhein Westfal TH Aachen, Phys Inst 3, Aachen, Germany.
[Bueno, A.; Maris, I. C.; Molina-Bueno, L.; Sanchez-Lucas, P.] Univ Granada, Granada, Spain.
[Bueno, A.; Maris, I. C.; Molina-Bueno, L.; Sanchez-Lucas, P.] CAFPE, Granada, Spain.
[Buitink, S.; Canfora, F.; de Jong, S. J.; De Mauro, G.; Falcke, H.; Horandel, J. R.; Jansen, S.; Schulz, J.; Timmermans, C.; van Aar, G.; van Vliet, A.; Wykes, S.] Radboud Univ Nijmegen, IMAPP, Nijmegen, Netherlands.
[Buscemi, M.; Caruso, R.; Insolia, A.; Paul, T.; Pirronello, V.; Zuccarello, F.] Univ Catania, Dipartimento Fis & Astron, Catania, Italy.
[Buscemi, M.; Caruso, R.; Insolia, A.; Pirronello, V.; Segreto, A.; Zuccarello, F.] INFN, Sez Catania, Catania, Italy.
[Caballero-Mora, K. S.] Univ Autonoma Chiapas, Tuxtla Gutierrez, Chiapas, Mexico.
[Caramete, L.; Isar, P. G.] Inst Space Sci, Bucharest, Romania.
[Chavez, A. G.; Villasenor, L.] Univ Michoacana, Morelia, Michoacan, Mexico.
[Chinellato, J. A.; Daniel, B.; Diaz Castro, M. L.; Dobrigkeit, C.; Escobar, C. O.; Fauth, A. C.; Kemp, E.; Muller, M. A.; Pakk Selmi-Dei, D.; Pereira, L. A. S.; Theodoro, V. M.] Univ Estadual Campinas UNICAMP, Campinas, Brazil.
[Colalillo, R.; Guarino, F.; Valore, L.] Univ Napoli Federico II, Dipartimento Fis Ettore Pancini, Naples, Italy.
[Coleman, A.; Coutu, S.; Mostafa, M.; Oikonomou, F.; Phuntsok, J.; Greus, F. Salesa; Sommers, P.] Penn State Univ, University Pk, PA 16802 USA.
[Covault, C. E.; LaHurd, D.; Quinn, S.] Case Western Reserve Univ, Cleveland, OH 44106 USA.
[Cronin, J.; Fang, K.; Fujii, T.; Malacari, M.; Olinto, A.; Privitera, P.] Univ Chicago, Chicago, IL 60637 USA.
[D'Amico, S.] Univ Salento, Dipartimento Ingn, Lecce, Italy.
[Dasso, S.; Rovero, A. C.; Supanitsky, A. D.] Univ Buenos Aires, CONICET, IAFE, Buenos Aires, DF, Argentina.
[Dasso, S.; Masias Meza, J. J.; Piegaia, R.; Pieroni, P.] Univ Buenos Aires, Dept Fis, FCEyN, Buenos Aires, DF, Argentina.
[Dasso, S.; Masias Meza, J. J.; Piegaia, R.; Pieroni, P.] Univ Buenos Aires, Dept Ciencias Atmosfera & Oceanos, FCEyN, Buenos Aires, DF, Argentina.
[de Almeida, R. M.; De Oliveira, J.] Univ Fed Fluminense, Volta Redonda, Brazil.
[de Jong, S. J.; Falcke, H.; Horandel, J. R.; Jansen, S.; Timmermans, C.] NIKHEF, Sci Pk, Amsterdam, Netherlands.
[de Souza, V.; Prado, R. R.] Univ Sao Carlos, Sao Carlos, SP, Brazil.
[Di Giulio, C.; Matthiae, G.; Fernandez, G. Rodriguez] Univ Roma Tor Vergata, Dipartimento Fis, Rome, Italy.
[Di Giulio, C.; Matthiae, G.; Fernandez, G. Rodriguez; Salina, G.; Verzi, V.] INFN, Sez Roma Tor Vergata, Rome, Italy.
[Di Matteo, A.; Petrera, S.; Rizi, V.] Univ Aquila, Dipartimento Sci Fis & Chim, Laquila, Italy.
[Di Matteo, A.; Rizi, V.] INFN, Grp Collegato Aquila, Laquila, Italy.
[dos Anjos, R. C.] Univ Fed Parana, Setor Palotina, Brazil.
[Dova, M. T.; Hansen, P.; Mariazzi, A. G.; Sciutto, S. J.; Vergara Quispe, I. D.; Wahlberg, H.] Natl Univ La Plata, IFLP, La Plata, Buenos Aires, Argentina.
[Dova, M. T.; Hansen, P.; Mariazzi, A. G.; Sciutto, S. J.; Vergara Quispe, I. D.; Wahlberg, H.] Consejo Nacl Invest Cient & Tecn, La Plata, Buenos Aires, Argentina.
[Dundovic, A.; Petrera, S.; Sigl, G.] Univ Hamburg, Inst Theoret Phys 2, Hamburg, Germany.
[Escobar, C. O.; Fazzini, N.; Glass, H.; Hojvat, C.; Kasper, P.; Lebrun, P.; Mantsch, P.; Mazur, P. O.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
[Falcke, H.] Stichting Astronom Onderzoek Nederland ASTRON, Dwingeloo, Netherlands.
[Farrar, G.; Unger, M.] NYU, New York, NY USA.
[Fick, B.; Kieckhafer, R. M.; Nitz, D.] Michigan Technol Univ, Houghton, MI 49931 USA.
[Filipcic, A.; Zavrtanik, D.; Zavrtanik, M.] J Stefan Inst, Expt Particle Phys Dept, Ljubljana, Slovenia.
[Filipcic, A.; Mezek, G. Kukec; Saleh, A.; Stanic, S.; Trini, M.; Vorobiov, S.; Yang, L.; Zavrtanik, D.; Zavrtanik, M.] Univ Nova Gorica, Lab Astroparticle Phys, Nova Gorica, Slovenia.
[Freire, M. M.; Micheletti, M. I.] UNR, CONICET, Inst Fis Rosario IFIR, Rosario, Santa Fe, Argentina.
[Freire, M. M.; Micheletti, M. I.] UNR, Fac Ciencias Bioquim & Farmaceut, Rosario, Santa Fe, Argentina.
[Garcia, B.] UNSAM, Inst Tecnol Detecc & Astroparticulas, Fac Reg Mendoza, CONICET CNEA, Mendoza, Argentina.
[Garcia, B.] Univ Tecnol Nacl, Mendoza, Argentina.
[Gate, F.; Gemmeke, H.; Kleifges, M.; Kunka, N.; Menshikov, A.; Weber, M.; Zimmermann, B.] IPE, Karlsruhe Inst Technol, Karlsruhe, Germany.
[Giammarchi, M.; Mallamaci, M.; Miramonti, L.] INFN, Sez Milano, Milan, Italy.
[Giller, M.; Glas, D.; Legumina, R.; Smialkowski, A.; Szadkowski, Z.] Univ Lodz, Fac Astrophys, Lodz, Poland.
[Gorham, P.; Varner, G.] Univ Hawaii, Honolulu, HI USA.
[Guedes, G. P.] Univ Estadual Feira de Santana, Feira de Santana, Brazil.
[Hasankiadeh, Q.; Messina, S.; Scholten, O.; van den Berg, A. M.] Univ Groningen, KVI, Ctr Adv Radiat, Groningen, Netherlands.
[Horvath, P.; Hrabovsky, M.; Nozka, H.] Palacky Univ, RCPTM, Olomouc, Czech Republic.
[Johnsen, J. A.; Medina, C.; Sarazin, F.; Wiencke, L.] Colorado Sch Mines, Golden, CO 80401 USA.
[Leigui de Oliveira, M. A.] Univ Fed Abc, Santo Andre, Brazil.
[Lopez, R.; Martinez Bravo, O.; Parra, A.; Salazar, H.; Varela, E.] BUAP, Puebla, Mexico.
[Mallamaci, M.; Miramonti, L.; Torri, M.] Univ Milan, Dipartimento Fis, Milan, Italy.
[Martinez, H.; Zepeda, A.] Ctr Invest Estudios Avanzados IPN CINVESTAV, Mexico City, DF, Mexico.
[Matthews, J.; Shadkam, A.] Louisiana State Univ, Baton Rouge, LA 70803 USA.
[Matthews, J. A. J.] Univ New Mexico, Albuquerque, NM 87131 USA.
[Muller, M. A.] Univ Fed Pelotas, Pelotas, Brazil.
[Nosek, D.; Novotny, V.] Univ Prague, Inst Particle & Nucl Phys, Prague, Czech Republic.
[Pallotta, J.; Quel, E. J.; Ristori, P.] CITEDEF, Ctr Invest Laseres & Aplicac, Buenos Aires, DF, Argentina.
[Pallotta, J.; Quel, E. J.; Ristori, P.] Consejo Nacl Invest Cient & Tecn, Buenos Aires, DF, Argentina.
[Paul, T.; Swain, J.] Northeastern Univ, Boston, MA 02115 USA.
[Pelayo, R.] UPIITA IPN, Mexico City, DF, Mexico.
[Revenu, B.] Univ Nantes, SUBATECH, Ecole Mines Nantes, CNRS IN2P3, Nantes, France.
[Segreto, A.] INAF, Ist Astrofis Spaziale & Fis Cosm Palermo, Palermo, Italy.
[Shellard, R. C.] CBPF, Rio De Janeiro, Brazil.
[Snow, G. R.] Univ Nebraska, Lincoln, NE USA.
[Todero Peixoto, C. J.] Univ Sao Paulo, Escola Engn Lorena, Lorena, Brazil.
[Torres Machado, D.] Univ Fed Rio de Janeiro, Inst Fis, Rio de Janeiro, Brazil.
[Watson, A. A.] Univ Leeds, Sch Phys & Astron, Leeds, W Yorkshire, England.
[Boncioli, D.] Deutsch Elekt Synchrotron DESY, Zeuthen, Germany.
[Scholten, O.] Vrije Univ Brussels, Brussels, Belgium.
RP Aab, A (reprint author), Univ Siegen, Fachbereich Phys Expt Teilchenphys 7, Siegen, Germany.
RI Mitrica, Bogdan/D-5201-2009; Sao Carlos Institute of Physics,
IFSC/USP/M-2664-2016; Arqueros, Fernando/K-9460-2014; Valino,
Ines/J-8324-2012; Bueno, Antonio/F-3875-2015; Beatty, James/D-9310-2011;
Badescu, Alina/B-6087-2012; dos Santos, Eva/N-6351-2013; Rodriguez
Fernandez, Gonzalo/C-1432-2014; Nosek, Dalibor/F-1129-2017; Caramete,
Laurentiu/C-2328-2011;
OI Arqueros, Fernando/0000-0002-4930-9282; Valino,
Ines/0000-0001-7823-0154; Bueno, Antonio/0000-0002-7439-4247; Beatty,
James/0000-0003-0481-4952; dos Santos, Eva/0000-0002-0474-8863;
Rodriguez Fernandez, Gonzalo/0000-0002-4683-230X; Nosek,
Dalibor/0000-0001-6219-200X; Nunez, Luis/0000-0003-4575-5899
FU Comision Nacional de Energia Atomica; Agencia Nacional de Promocion
Cientifica y Tecnologica (ANPCyT); Consejo Nacional de Investigaciones
Cientificas y Tecnicas (CONICET); Gobierno de la Provincia de Mendoza;
Municipalidad de Malargue; NDM Holdings; Valle Las Lenas; Australian
Research Council; Conselho Nacional de Desenvolvimento Cientifico e
Tecnologico (CNPq); Financiadora de Estudos e Projetos (FINEP); Fundacao
de Amparo a Pesquisa do Estado de Rio de Janeiro (FAPERJ); Sao Paulo
Research Foundation (FAPESP) [2010/07359-6, 1999/05404-3]; Ministerio de
Ciencia e Tecnologia (MCT), Brazil [MSMT CR LG15014, LO1305, LM2015038];
Czech Science Foundation, Czech Republic [14-17501S]; Centre de Calcul
IN2P3/CNRS; Centre National de la Recherche Scientifique (CNRS); Conseil
Regional Ile-de-France; Departement Physique Nucleaire et Corpusculaire
(PNC-IN2P3/CNRS); Departement Sciences de l'Univers (SDU-INSU/CNRS);
Institut Lagrange de Paris (ILP) within the Investissements d'Avenir
Programme, France [LABEX ANR-10-LABX-63, ANR-11-IDEX-0004-02];
Bundesministerium fur Bildung und Forschung (BMBF); Deutsche
Forschungsgemeinschaft (DFG); Finanzministerium Baden-Wurttemberg;
Helmholtz Alliance for Astroparticle Physics (HAP);
Helmholtz-Gemeinschaft Deutscher Forschungszentren (HGF); Ministerium
fur Wissenschaft und Forschung; Nordrhein Westfalen; Ministerium fur
Wissenschaft, Forschung und Kunst; Baden-Wurttembe Germany; Istituto
Nazionale di Fisica Nucleare (INFN); Istituto Nazionale di Astrofisica
(INAF); Ministero dell'Istruzione, dell'Universita e della Ricerca
(MIUR); Gran Sasso Center for Astroparticle Physics (CFA); CETEMPS
Center of Excellence; Ministero degli Affari Esteri (MAE), Italy;
Consejo Nacional de Ciencia y Tecnologia (CONACYT), Mexico [167733];
Universidad Nacional Autonoma de Mexico (UNAM), Mexico [PAPIIT
DGAPA-UNAM]; Ministerie van Onderwijs, Cultuur en Wetenschap;
Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO); Stichting
voor Fundamenteel Onderzoek der Materie (FOM)Netherlands; National
Centre for Research and Development [ERA-NET-ASPERA/01/11,
ERA-NET-ASPERA/02/11]; National Science Centre, Poland
[2013/08/M/ST9/00322, 2013/08/M/ST9/00728, HARMONIA
5-2013/10/M/ST9/00062]; Portuguese national funds; FEDER funds within
Programa Operacional Factores de Competitividade through Fundacao para a
Ciencia e a Tecnologia (COMPETE), Portugal; Romanian Authority for
Scientific Research ANCS, CNDI-UEFISCDI partnership projects [20/2012,
194/2012, PN 16 42 01 02]; Slovenian Research Agency, Slovenia;
Comunidad de Madrid; Fondo Europeo de Desarrollo Regional (FEDER) funds;
Ministerio de Economia y Competitividad; Xunta de Galicia; European
Community 7th Framework Program, Spain [FP7PEOPLE- 2012-IEF-328826];
Science and Technology Facilities Council, United Kingdom; Department of
Energy [DE-AC02-07CH11359, DE-FR02-04ER41300, DE-FG0299ER41107,
DE-SC0011689]; National Science Foundation [0450696]; Grainger
Foundation, USA; NAFOSTED, Vietnam; Marie Curie-IRSES/EPLANET; European
Particle Physics Latin American Network; European Union 7th Framework
Program [PIRSES-2009-GA-246806]; UNESCO
FX The successful installation, commissioning, and operation of the Pierre
Auger Observatory would not have been possible without the strong
commitment and effort from the technical and administrative staff in
Malargue. We are very grateful to the following agencies and
organizations for financial support. Comision Nacional de Energia
Atomica, Agencia Nacional de Promocion Cientifica y Tecnologica
(ANPCyT), Consejo Nacional de Investigaciones Cientificas y Tecnicas
(CONICET), Gobierno de la Provincia de Mendoza, Municipalidad de
Malargue, NDM Holdings, and Valle Las Lenas, in gratitude for their
continuing cooperation over land access, Argentina; the Australian
Research Council; Conselho Nacional de Desenvolvimento Cientifico e
Tecnologico (CNPq), Financiadora de Estudos e Projetos (FINEP), Fundacao
de Amparo a Pesquisa do Estado de Rio de Janeiro (FAPERJ), Sao Paulo
Research Foundation (FAPESP) Grants No. 2010/07359-6 and No.
1999/05404-3, Ministerio de Ciencia e Tecnologia (MCT), Brazil, Grants
No. MSMT CR LG15014, No. LO1305, and No. LM2015038; the Czech Science
Foundation Grant No. 14-17501S, Czech Republic; Centre de Calcul
IN2P3/CNRS, Centre National de la Recherche Scientifique (CNRS), Conseil
Regional Ile-de-France, Departement Physique Nucleaire et Corpusculaire
(PNC-IN2P3/CNRS), Departement Sciences de l'Univers (SDU-INSU/CNRS),
Institut Lagrange de Paris (ILP) Grant No. LABEX ANR-10-LABX-63, within
the Investissements d'Avenir Programme Grant No. ANR-11-IDEX-0004-02,
France; Bundesministerium fur Bildung und Forschung (BMBF), Deutsche
Forschungsgemeinschaft (DFG), Finanzministerium Baden-Wurttemberg,
Helmholtz Alliance for Astroparticle Physics (HAP),
Helmholtz-Gemeinschaft Deutscher Forschungszentren (HGF), Ministerium
fur Wissenschaft und Forschung, Nordrhein Westfalen, Ministerium fur
Wissenschaft, Forschung und Kunst, Baden-Wurttemberg, Germany; Istituto
Nazionale di Fisica Nucleare (INFN), Istituto Nazionale di Astrofisica
(INAF), Ministero dell'Istruzione, dell'Universita e della Ricerca
(MIUR), Gran Sasso Center for Astroparticle Physics (CFA), CETEMPS
Center of Excellence, Ministero degli Affari Esteri (MAE), Italy;
Consejo Nacional de Ciencia y Tecnologia (CONACYT) Grant No. 167733,
Mexico; Universidad Nacional Autonoma de Mexico (UNAM), Grant No. PAPIIT
DGAPA-UNAM, Mexico; Ministerie van Onderwijs, Cultuur en Wetenschap,
Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO), Stichting
voor Fundamenteel Onderzoek der Materie (FOM), Netherlands; National
Centre for Research and Development, Grants No. ERA-NET-ASPERA/01/11 and
No. ERA-NET-ASPERA/02/11, National Science Centre, Grants No.
2013/08/M/ST9/00322, No. 2013/08/M/ST9/00728 and No. HARMONIA
5-2013/10/M/ST9/00062, Poland; Portuguese national funds and FEDER funds
within Programa Operacional Factores de Competitividade through Fundacao
para a Ciencia e a Tecnologia (COMPETE), Portugal; Romanian Authority
for Scientific Research ANCS, CNDI-UEFISCDI partnership projects Grants
No. 20/2012, No. 194/2012, and No. PN 16 42 01 02; Slovenian Research
Agency, Slovenia; Comunidad de Madrid, Fondo Europeo de Desarrollo
Regional (FEDER) funds, Ministerio de Economia y Competitividad, Xunta
de Galicia, European Community 7th Framework Program, Grant No.
FP7-PEOPLE-2012-IEF-328826, Spain; Science and Technology Facilities
Council, United Kingdom; Department of Energy, Contracts No.
DE-AC02-07CH11359, No. DE-FR02-04ER41300, No. DE-FG02-99ER41107, and No.
DE-SC0011689; National Science Foundation, Grant No.; 0450696; the
Grainger Foundation, USA; NAFOSTED, Vietnam; Marie Curie-IRSES/EPLANET,
European Particle Physics Latin American Network, European Union 7th
Framework Program, Grant No. PIRSES-2009-GA-246806; and UNESCO.
NR 33
TC 0
Z9 0
U1 20
U2 20
PU AMER PHYSICAL SOC
PI COLLEGE PK
PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
SN 2470-0010
EI 2470-0029
J9 PHYS REV D
JI Phys. Rev. D
PD DEC 30
PY 2016
VL 94
IS 12
AR 122007
DI 10.1103/PhysRevD.94.122007
PG 10
WC Astronomy & Astrophysics; Physics, Particles & Fields
SC Astronomy & Astrophysics; Physics
GA EG4MF
UT WOS:000391017700002
ER
PT J
AU Lin, BC
Chen, BK
Gao, YC
Tse, CK
Dong, CF
Miao, LX
Wang, BH
AF Lin, Ben-Chuan
Chen, Bo-Kui
Gao, Ya-Chun
Tse, Chi K.
Dong, Chuan-Fei
Miao, Li-Xin
Wang, Bing-Hong
TI Advanced Algorithms for Local Routing Strategy on Complex Networks (vol
11, e0156756, 2016)
SO PLOS ONE
LA English
DT Correction
C1 [Chen, Bo-Kui] Natl Univ Singapore, Sch Comp, Singapore, Singapore.
[Dong, Chuan-Fei] Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
[Dong, Chuan-Fei] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA.
NR 1
TC 0
Z9 0
U1 1
U2 1
PU PUBLIC LIBRARY SCIENCE
PI SAN FRANCISCO
PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA
SN 1932-6203
J9 PLOS ONE
JI PLoS One
PD DEC 30
PY 2016
VL 11
IS 12
AR e0163075
DI 10.1371/journal.pone.0163075
PG 1
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA EG7LN
UT WOS:000391229300001
PM 28036327
ER
PT J
AU Price, DN
McBride, AA
Anton, M
Kusewitt, DF
Norenberg, JP
MacKenzie, DA
Thompson, TA
Muttil, P
AF Price, Dominique N.
McBride, Amber A.
Anton, Martina
Kusewitt, Donna F.
Norenberg, Jeffrey P.
MacKenzie, Debra A.
Thompson, Todd A.
Muttil, Pavan
TI Longitudinal Assessment of Lung Cancer Progression in Mice Using the
Sodium Iodide Symporter Reporter Gene and SPECT/CT Imaging
SO PLOS ONE
LA English
DT Article
ID POSITRON-EMISSION-TOMOGRAPHY; HUMAN SODIUM/IODIDE SYMPORTER; EXPRESSION
IN-VIVO; TRANSGENE EXPRESSION; ANIMAL-MODELS; MOUSE MODEL; NUDE-MICE;
CELLS; THERAPY; PET
AB Lung cancer has the highest mortality rate of any tissue-specific cancer in both men and women. Research continues to investigate novel drugs and therapies to mitigate poor treatment efficacy, but the lack of a good descriptive lung cancer animal model for preclinical drug evaluation remains an obstacle. Here we describe the development of an orthotopic lung cancer animal model which utilizes the human sodium iodide symporter gene (hNIS; SLC5A5) as an imaging reporter gene for the purpose of non-invasive, longitudinal tumor quantification. hNIS is a glycoprotein that naturally transports iodide (I-) into thyroid cells and has the ability to symport the radiotracer Tc-99m-pertechnetate ((TcO4-)-Tc-99m). A549 lung adenocarcinoma cells were genetically modified with plasmid or lentiviral vectors to express hNIS. Modified cells were implanted into athymic nude mice to develop two tumor models: a subcutaneous and an orthotopic xenograft tumor model. Tumor progression was longitudinally imaged using SPECT/CT and quantified by SPECT voxel analysis. hNIS expression in lung tumors was analyzed by quantitative real-time PCR. Additionally, hematoxylin and eosin staining and visual inspection of pulmonary tumors was performed. We observed that lentiviral transduction provided enhanced and stable hNIS expression in A549 cells. Furthermore, (TcO4-)-Tc-99m uptake and accumulation was observed within lung tumors allowing for imaging and quantification of tumor mass at two-time points. This study illustrates the development of an orthotopic lung cancer model that can be longitudinally imaged throughout the experimental timeline thus avoiding inter-animal variability and leading to a reduction in total animal numbers. Furthermore, our orthotopic lung cancer animal model is clinically relevant and the genetic modification of cells for SPECT/CT imaging can be translated to other tissue-specific tumor animal models.
C1 [Price, Dominique N.; McBride, Amber A.; MacKenzie, Debra A.; Thompson, Todd A.; Muttil, Pavan] Univ New Mexico, Hlth Sci Ctr, Coll Pharm, Dept Pharmaceut Sci, Albuquerque, NM 87131 USA.
[McBride, Amber A.] Sandia Natl Labs, Albuquerque, NM USA.
[Anton, Martina] Tech Univ Munich, Klinikum Rechts Isar, Inst Mol Immunol Expt Oncol & Therapy Res, Munich, Germany.
[Kusewitt, Donna F.] Univ New Mexico, Sch Med, Dept Pathol, Albuquerque, NM 87131 USA.
[Norenberg, Jeffrey P.] New Mexico Ctr Isotopes Med, Albuquerque, NM USA.
[Norenberg, Jeffrey P.; Thompson, Todd A.; Muttil, Pavan] Univ New Mexico, Ctr Comprehens Canc, Albuquerque, NM 87131 USA.
RP Muttil, P (reprint author), Univ New Mexico, Hlth Sci Ctr, Coll Pharm, Dept Pharmaceut Sci, Albuquerque, NM 87131 USA.; Muttil, P (reprint author), Univ New Mexico, Ctr Comprehens Canc, Albuquerque, NM 87131 USA.
EM pmuttil@salud.unm.edu
FU inviCRO; Takeda
FX Dr. Norenberg has research grants sponsored by inviCRO and Takeda. The
funders had no role in study design, data collection and analysis,
decision to publish, or preparation of the manuscript.
NR 47
TC 0
Z9 0
U1 5
U2 5
PU PUBLIC LIBRARY SCIENCE
PI SAN FRANCISCO
PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA
SN 1932-6203
J9 PLOS ONE
JI PLoS One
PD DEC 30
PY 2016
VL 11
IS 12
AR e0169107
DI 10.1371/journal.pone.0169107
PG 17
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA EG7LN
UT WOS:000391229300055
PM 28036366
ER
PT J
AU Liu, Z
Yang, B
Cao, WW
Lookman, T
AF Liu, Zhen
Yang, Bin
Cao, Wenwu
Lookman, Turab
TI Effect of misfit strain on ferroelectric domain formation at the
morphotropic phase boundary
SO PHYSICAL REVIEW B
LA English
DT Article
ID TITANATE SOLID-SOLUTION; TRANSITION
AB In the morphotropic phase boundary region where tetragonal and rhombohedral phases coexist in the ferroelectric solid solution PbZr1-xTixO3(PZT), large strains can be induced at the interface due to the lattice misfit of the two structures. We show that for bulk PZT the misfit strains between tetragonal and rhombohedral phases can lead to an adaptive monoclinic structure in the morphotropic phase boundary (MPB) region, similar to the effects of misfit strains between a crystal and substrate in epitaxial ferroelectric thin films. We use Landau theory to sixth order in polarization to provide insight into factors controlling the occurrence of the monoclinic phase in the MPB region.
C1 [Liu, Zhen; Yang, Bin; Cao, Wenwu] Harbin Inst Technol, Sch Sci, Condensed Matter Sci & Technol Inst, Harbin 150080, Peoples R China.
[Liu, Zhen; Yang, Bin; Cao, Wenwu] Harbin Inst Technol, Sch Sci, Dept Phys, Harbin 150080, Peoples R China.
[Liu, Zhen; Lookman, Turab] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Cao, Wenwu] Penn State Univ, Mat Res Inst, University Pk, PA 16802 USA.
[Cao, Wenwu] Penn State Univ, Dept Math, University Pk, PA 16802 USA.
RP Cao, WW (reprint author), Harbin Inst Technol, Sch Sci, Condensed Matter Sci & Technol Inst, Harbin 150080, Peoples R China.; Cao, WW (reprint author), Harbin Inst Technol, Sch Sci, Dept Phys, Harbin 150080, Peoples R China.; Cao, WW (reprint author), Penn State Univ, Mat Res Inst, University Pk, PA 16802 USA.; Cao, WW (reprint author), Penn State Univ, Dept Math, University Pk, PA 16802 USA.
EM dzk@psu.edu; txl@lanl.gov
RI Cao, Wenwu/F-6091-2012
OI Cao, Wenwu/0000-0002-2447-1486
FU National Key Basic Research Program of China [2013CB632900]; Oversea
Study Scholarship from the China Scholarship Council [201506120195]
FX We thank Dezhen Xue for useful discussions. The work was supported by
the National Key Basic Research Program of China (Grant No.
2013CB632900) and by the Oversea Study Scholarship from the China
Scholarship Council (Grant No. 201506120195).
NR 34
TC 0
Z9 0
U1 18
U2 18
PU AMER PHYSICAL SOC
PI COLLEGE PK
PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
SN 2469-9950
EI 2469-9969
J9 PHYS REV B
JI Phys. Rev. B
PD DEC 30
PY 2016
VL 94
IS 21
AR 214117
DI 10.1103/PhysRevB.94.214117
PG 7
WC Physics, Condensed Matter
SC Physics
GA EG4IB
UT WOS:000391006100002
ER
PT J
AU Altmannshofer, W
Eby, J
Gori, S
Lotito, M
Martone, M
Tuckler, D
AF Altmannshofer, Wolfgang
Eby, Joshua
Gori, Stefania
Lotito, Matteo
Martone, Mario
Tuckler, Douglas
TI Collider signatures of flavorful Higgs bosons
SO PHYSICAL REVIEW D
LA English
DT Article
ID DOUBLET; MODEL
AB Motivated by our limited knowledge of the Higgs couplings to the first two generation fermions, we analyze the collider phenomenology of a class of two Higgs doublet models (2HDMs) with a nonstandard Yukawa sector. One Higgs doublet is mainly responsible for the masses of the weak gauge bosons and the third-generation fermions, while the second Higgs doublet provides mass for the lighter fermion generations. The characteristic collider signatures of this setup differ significantly from well-studied 2HDMs with natural flavor conservation, flavor alignment, or minimal flavor violation. New production mechanisms for the heavy scalar, pseudoscalar, and charged Higgs involving second-generation quarks can become dominant. The most interesting decay modes include H/A -> cc, tc, mu mu, tau mu and H-+/- -> cb, cs, mu nu. Searches for low-mass dimuon resonances are currently among the best probes of the heavy Higgs bosons in this setup.
C1 [Altmannshofer, Wolfgang; Eby, Joshua; Gori, Stefania; Lotito, Matteo; Martone, Mario; Tuckler, Douglas] Univ Cincinnati, Dept Phys, Cincinnati, OH 45221 USA.
[Eby, Joshua] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
RP Altmannshofer, W; Eby, J; Gori, S; Lotito, M; Martone, M; Tuckler, D (reprint author), Univ Cincinnati, Dept Phys, Cincinnati, OH 45221 USA.; Eby, J (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
EM altmanwg@ucmail.uc.edu; ebyja@mail.uc.edu; stefania.gori@ucmail.uc.edu;
lotitomo@mail.uc.edu; martonmo@ucmail.uc.edu; tuckleds@mail.uc.edu
FU University of Cincinnati; National Science Foundation [PHY-1066293, NSF
PHY11-25915]; Mainz Institute for Theoretical Physics (MITP); Mary J.
Hanna Fellowship through the Department of Physics at University of
Cincinnati; U.S. Department of Energy, Office of Science; U.S.
Department of Energy, Office of Workforce Development for Teachers and
Scientists; U.S. Department of Energy, Office of Science Graduate
Student Research (SCGSR) program; DOE [DE-SC0014664, DE-SC0011784];
University Research Council at the University of Cincinnati; Mary J.
Hanna Fellowship through the Physics Department at the University of
Cincinnati; NSF [PHY-1151392]
FX We thank Bill Murray for useful discussions. W. A. and S. G. acknowledge
financial support by the University of Cincinnati. W. A. and S. G. thank
the Aspen Center for Physics for hospitality during the completion of
this work. The Aspen Center for Physics is supported by National Science
Foundation Grant No. PHY-1066293. W. A. is grateful to the Mainz
Institute for Theoretical Physics (MITP) for its hospitality and its
partial support during final stages of this work. S. G. is grateful for
the hospitality of the Kavli Institute for Theoretical Physics in Santa
Barbara, CA, supported in part by the National Science Foundation under
Grant No. NSF PHY11-25915. The work of J. E. was partially supported by
a Mary J. Hanna Fellowship through the Department of Physics at
University of Cincinnati; and also by the U.S. Department of Energy,
Office of Science; Office of Workforce Development for Teachers and
Scientists; Office of Science Graduate Student Research (SCGSR) program.
The SCGSR program is administered by the Oak Ridge Institute for Science
and Education for the DOE under Contract No. DE-SC0014664. The work of
M. L. was partially supported by a Graduate Student Research Fellowship
of the University Research Council at the University of Cincinnati and
by the Mary J. Hanna Fellowship through the Physics Department at the
University of Cincinnati. The work of M. M. was supported in part by DOE
Grant No. DE-SC0011784 and in part by NSF Grant No. PHY-1151392.
NR 112
TC 1
Z9 1
U1 3
U2 3
PU AMER PHYSICAL SOC
PI COLLEGE PK
PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
SN 2470-0010
EI 2470-0029
J9 PHYS REV D
JI Phys. Rev. D
PD DEC 30
PY 2016
VL 94
IS 11
AR 115032
DI 10.1103/PhysRevD.94.115032
PG 18
WC Astronomy & Astrophysics; Physics, Particles & Fields
SC Astronomy & Astrophysics; Physics
GA EG4LW
UT WOS:000391016800009
ER
PT J
AU Dai, LY
Pennington, MR
AF Dai, Ling-Yun
Pennington, M. R.
TI Pion polarizabilities from a gamma gamma -> pi pi analysis
SO PHYSICAL REVIEW D
LA English
DT Article
ID COLLISIONS; EQUATIONS
AB We present results for pion polarizabilities predicted using dispersion relations from our earlier amplitude analysis of world data on two photon production of meson pairs. The helicity zero polarizabi.lities are rather stable and insensitive to uncertainties in cross -channel exchanges. The need is first to confirm the recent result on (alpha(1)-beta(1)) for the charged pion by COMPASS at CERN to an accuracy of 10% by measuring the gamma gamma -> pi(+)pi(-) cross section to an uncertainty of 1%. Then the same polarizability, but for pi(0), is fixed to be (alpha(1)-beta(1))(pi 0) = (0.9 +/- 0.2) x 10(-4)fm(3). By analyzing the correlation between uncertainties in the meson polarizability and those in gamma gamma cross sections, we suggest experiments need to measure these cross sections between root S similar or equal to 350 and 600 MeV, The pi(0) pi(0) cross section then makes the (alpha(2) -beta(2))(pi 0) the easiest helicity-two polarizability to determine.
C1 [Dai, Ling-Yun] Forschungszentrum Julich, Inst Kernphys, Inst Adv Simulat, D-52425 Julich, Germany.
[Dai, Ling-Yun] Forschungszentrum Julich, Julich Ctr Hadron Phys, D-52425 Julich, Germany.
[Dai, Ling-Yun] Indiana Univ, Ctr Explorat Energy & Matter, Bloomington, IN 47403 USA.
[Dai, Ling-Yun] Indiana Univ, Dept Phys, Bloomington, IN 47405 USA.
[Pennington, M. R.] Thomas Jefferson Natl Accelerator Facil, Theory Ctr, Newport News, VA 23606 USA.
[Pennington, M. R.] Coll William & Maly, Dept Phys, Williamsburg, VA 23187 USA.
RP Dai, LY (reprint author), Forschungszentrum Julich, Inst Kernphys, Inst Adv Simulat, D-52425 Julich, Germany.; Dai, LY (reprint author), Forschungszentrum Julich, Julich Ctr Hadron Phys, D-52425 Julich, Germany.; Dai, LY (reprint author), Indiana Univ, Ctr Explorat Energy & Matter, Bloomington, IN 47403 USA.; Dai, LY (reprint author), Indiana Univ, Dept Phys, Bloomington, IN 47405 USA.
EM l.dai@fz-juelich.de; michaelp@jlab.org
FU Deutsche Forschungsgemeinschaft [SFB/TR 110]; Indiana University College
of Arts and Sciences; U.S. Department of Energy, Office of Science,
Office of Nuclear Physics [DE-AC05-06OR23177]
FX We thank U.-G. Meissner for reading the paper and for his suggestions.
This work is supported in part by the Deutsche Forschungsgemeinschaft
(Grant No. SFB/TR 110, "Symmetries and the Emergence of Structure in
QCD"). We acknowledge support from Indiana University College of Arts
and Sciences, and from the U.S. Department of Energy, Office of Science,
Office of Nuclear Physics under Contract No. DE-AC05-06OR23177, which
funds Jefferson Lab research.
NR 30
TC 0
Z9 0
U1 1
U2 1
PU AMER PHYSICAL SOC
PI COLLEGE PK
PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
SN 2470-0010
EI 2470-0029
J9 PHYS REV D
JI Phys. Rev. D
PD DEC 30
PY 2016
VL 94
IS 11
AR 116021
DI 10.1103/PhysRevD.94.116021
PG 11
WC Astronomy & Astrophysics; Physics, Particles & Fields
SC Astronomy & Astrophysics; Physics
GA EG4LW
UT WOS:000391016800012
ER
PT J
AU Marciano, WJ
Masiero, A
Paradisi, P
Passera, M
AF Marciano, W. J.
Masiero, A.
Paradisi, P.
Passera, M.
TI Contributions of axionlike particles to lepton dipole moments
SO PHYSICAL REVIEW D
LA English
DT Article
ID ANOMALOUS MAGNETIC-MOMENT; MUON G-2; J-PARC; ELECTRON; ORDER; MECHANISM;
COLLIDER; DETECTOR; EDM
AB Contributions of a spin-0 axionlike particle (ALP) to lepton dipole moments, g - 2 and EDMs are examined. Barr-Zee and light-by-light loop effects from a light pseudoscalar ALPlease note thathP are found to be capable of resolving the longstanding muon g - 2 discrepancy at the expense of relatively large ALP-gamma gamma couplings. The compatibility of such large couplings with direct experimental constraints and perturbative unitarity bounds is discussed. Future tests of such a scenario are described. For CP-violating ALP couplings, the electron EDM is found to probe much smaller, theoretically more easily accommodated ALP interactions. Future planned improvement in electron EDM searches is advocated as a way to not only significantly constrain ALP parameters, but also potentially unveil a new source of CP violation which could have far-reaching ramifications.
C1 [Marciano, W. J.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
[Masiero, A.; Paradisi, P.] Univ Padua, Dipartimento Fis & Astron G Galilei, I-35131 Padua, Italy.
[Masiero, A.; Paradisi, P.; Passera, M.] Ist Nazl Fis Nucl, Sez Padova, I-35131 Padua, Italy.
RP Marciano, WJ (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
FU ERC Advanced Grant [267985]; INFN; research grant Theoretical
Astroparticle Physics under the program Research Projects of National
Interest of the Italian government - MIUR [2012CPPPYP7]; FP10 Innovative
Training Network of the European Commission Elusives
[H2020-MSCA-ITN-2015-674896]; Invisibles-Plus
[H2020-MSCA-RISE-2015-690575]; U.S. Department of Energy [de-sc0012704]
FX We would like to thank G. Abbiendi, S. Eidelman, F. Piccinini, M. Raggi,
and A. Wulzer for very useful discussions. The research of A. M. and P.
P. is supported by the ERC Advanced Grant No. 267985 (DaMeSyFla) and by
the INFN. A. M. gratefully acknowledges support by the research grant
Theoretical Astroparticle Physics No. 2012CPPPYP7 under the program
Research Projects of National Interest of the Italian government 2012
funded by the MIUR. M. P. and P. P. acknowledge partial support by FP10
Innovative Training Network of the European Commission Elusives (No.
H2020-MSCA-ITN-2015-674896) and Invisibles-Plus (No.
H2020-MSCA-RISE-2015-690575). This work is supported in part by the U.S.
Department of Energy under Grant No. de-sc0012704. M. P. is grateful to
Columbia University for their hospitality during a visit when this
manuscript was finalized.
NR 56
TC 2
Z9 2
U1 2
U2 2
PU AMER PHYSICAL SOC
PI COLLEGE PK
PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
SN 2470-0010
EI 2470-0029
J9 PHYS REV D
JI Phys. Rev. D
PD DEC 30
PY 2016
VL 94
IS 11
AR 115033
DI 10.1103/PhysRevD.94.115033
PG 7
WC Astronomy & Astrophysics; Physics, Particles & Fields
SC Astronomy & Astrophysics; Physics
GA EG4LW
UT WOS:000391016800010
ER
PT J
AU Bisig, A
Akosa, CA
Moon, JH
Rhensius, J
Moutafis, C
von Bieren, A
Heidler, J
Kiliani, G
Kammerer, M
Curcic, M
Weigand, M
Tyliszczak, T
Van Waeyenberge, B
Stoll, H
Schutz, G
Lee, KJ
Manchon, A
Klaui, M
AF Bisig, Andre
Akosa, Collins Ashu
Moon, Jung-Hwan
Rhensius, Jan
Moutafis, Christoforos
von Bieren, Arndt
Heidler, Jakoba
Kiliani, Gillian
Kammerer, Matthias
Curcic, Michael
Weigand, Markus
Tyliszczak, Tolek
Van Waeyenberge, Bartel
Stoll, Hermann
Schuetz, Gisela
Lee, Kyung-Jin
Manchon, Aurelien
Klaeui, Mathias
TI Enhanced Nonadiabaticity in Vortex Cores due to the Emergent Hall Effect
SO PHYSICAL REVIEW LETTERS
LA English
DT Article
ID DOMAIN-WALL MOTION; SPIN; DYNAMICS; EXCITATION; SKYRMIONS
AB We present a combined theoretical and experimental study, investigating the origin of the enhanced nonadiabaticity of magnetic vortex cores. Scanning transmission x-ray microscopy is used to image the vortex core gyration dynamically to measure the nonadiabaticity with high precision, including a high confidence upper bound. We show theoretically, that the large nonadiabaticity parameter observed experimentally can be explained by the presence of local spin currents arising from a texture induced emergent Hall effect. This study demonstrates that the magnetic damping alpha and nonadiabaticity parameter beta are very sensitive to the topology of the magnetic textures, resulting in an enhanced ratio (beta/alpha>1) in magnetic vortex cores or Skyrmions.
C1 [Bisig, Andre; Rhensius, Jan; Moutafis, Christoforos; von Bieren, Arndt; Heidler, Jakoba; Kiliani, Gillian; Klaeui, Mathias] Univ Konstanz, Dept Phys, D-78457 Constance, Germany.
[Bisig, Andre; Kammerer, Matthias; Curcic, Michael; Weigand, Markus; Stoll, Hermann; Schuetz, Gisela] Max Planck Inst Intelligent Syst, D-70569 Stuttgart, Germany.
[Bisig, Andre; Moutafis, Christoforos; von Bieren, Arndt; Heidler, Jakoba; Klaeui, Mathias] Ecole Polytech Fed Lausanne, Inst Condensed Matter Phys, CH-1015 Lausanne, Switzerland.
[Bisig, Andre; Rhensius, Jan; Moutafis, Christoforos; von Bieren, Arndt; Heidler, Jakoba; Klaeui, Mathias] Paul Scherrer Inst, CH-5232 Villigen, Switzerland.
[Bisig, Andre; Klaeui, Mathias] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany.
[Akosa, Collins Ashu; Manchon, Aurelien] KAUST, Phys Sci & Engn Div, Thuwal 239556900, Saudi Arabia.
[Moon, Jung-Hwan; Lee, Kyung-Jin] Korea Univ, Dept Mat Sci & Engn, Seoul 136713, South Korea.
[Tyliszczak, Tolek] Univ Calif Berkeley, LBL, Adv Light Source, Berkeley, CA 94720 USA.
[Van Waeyenberge, Bartel] Univ Ghent, Dept Solid State Sci, B-9000 Ghent, Belgium.
[Lee, Kyung-Jin] Korea Univ, KU KIST Grad Sch Converging Sci & Technol, Seoul 136713, South Korea.
RP Bisig, A (reprint author), Univ Konstanz, Dept Phys, D-78457 Constance, Germany.; Bisig, A (reprint author), Max Planck Inst Intelligent Syst, D-70569 Stuttgart, Germany.; Bisig, A (reprint author), Ecole Polytech Fed Lausanne, Inst Condensed Matter Phys, CH-1015 Lausanne, Switzerland.; Bisig, A (reprint author), Paul Scherrer Inst, CH-5232 Villigen, Switzerland.; Bisig, A (reprint author), Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany.
EM andre.bisig@gmail.com; aurelien.manchon@kaust.edu.sa;
klaeui@uni-mainz.de
RI Manchon, Aurelien/A-9355-2010; Lee, Kyung-Jin/B-4431-2010; Klaui,
Mathias/B-6972-2009;
OI Manchon, Aurelien/0000-0002-4768-293X; Lee,
Kyung-Jin/0000-0001-6269-2266; Klaui, Mathias/0000-0002-4848-2569;
Moutafis, Christoforos/0000-0002-2006-9203
FU German Science Foundation [DFG SFB 767, SFB TRR 173 Spin +X, KL1811,
MAINZ GSC 266]; ERC [MASPIC 2007-Stg 208162]; EU RTN Spinswitch [MRTN
CT-2006-035327, MAGWIRE FP7-ICT-2009-5 257707]; COMATT; Swiss National
Science Foundation; Office of Science, Office of Basic Energy Sciences;
U.S. Department of Energy [DE-AC02-05CH11231]; King Abdullah University
of Science and Technology (KAUST) from the Office of Sponsored Research
(OSR) [CRG2_R2_13_MANC_KAUST_1]
FX The authors acknowledge support by the German Science Foundation Grants
No. DFG SFB 767, SFB TRR 173 Spin +X, KL1811, MAINZ GSC 266, the ERC No.
MASPIC 2007-Stg 208162, the EU RTNSpinswitch, No. MRTN CT-2006-035327,
No. MAGWIRE FP7-ICT-2009-5 257707, COMATT and the Swiss National Science
Foundation. We also thank Michael Bechtel and the BESSY II staff for
supporting the time-resolved studies at the HZB Berlin. The Advanced
Light Source is supported by the Director, Office of Science, Office of
Basic Energy Sciences, and of the U.S. Department of Energy under
Contract No. DE-AC02-05CH11231. A. M. and C. A. are supported by the
King Abdullah University of Science and Technology (KAUST) through Grant
No. CRG2_R2_13_MANC_KAUST_1 from the Office of Sponsored Research (OSR).
NR 45
TC 2
Z9 2
U1 14
U2 14
PU AMER PHYSICAL SOC
PI COLLEGE PK
PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
SN 0031-9007
EI 1079-7114
J9 PHYS REV LETT
JI Phys. Rev. Lett.
PD DEC 30
PY 2016
VL 117
IS 27
AR 277203
DI 10.1103/PhysRevLett.117.277203
PG 6
WC Physics, Multidisciplinary
SC Physics
GA EG4SU
UT WOS:000391034800007
PM 28084754
ER
PT J
AU Pollet-Villard, M
Daval, D
Fritz, B
Knauss, KG
Schafer, G
Ackerer, P
AF Pollet-Villard, Marion
Daval, Damien
Fritz, Bertrand
Knauss, Kevin G.
Schafer, Gerhard
Ackerer, Philippe
TI Influence of etch pit development on the surface area and dissolution
kinetics of the orthoclase (001) surface
SO CHEMICAL GEOLOGY
LA English
DT Article
DE Reactive surface area; Dissolution kinetics; Etch pits; Orthoclase (001)
face; Hydrothermal alteration
ID DEFORMED PLAGIOCLASE FELDSPARS; X-RAY REFLECTIVITY; QUARTZ DISSOLUTION;
RATES; MODEL; REACTIVITY; CALCITE; ALBITE; DISLOCATIONS; ORIENTATION
AB The (001) orthoclase surface was dissolved at 180 degrees C and at far from equilibrium conditions with an alkaline solution (pH(180 degrees C) = 9) in a titanium open flow reactor. Vertical scanning interferometer (VSI) and atomic force microscope (AFM) surface monitoring were periodically used during the reaction process in order to quantify the surface topography evolution. The dissolution of the (001) orthoclase face occurs with the formation of diamond shape etch pits. Diamond pit diagonals are parallel to the 1100] and [0101 axes, and the pit walls are parallel to (6 5 6), (6 (5) over bar 6), ((6) over bar 5 11) and ((6) over bar (5) over bar 11) planes. The etch pit size and global surface retreat of the (001) surface were found to increase linearly with time. Based on statistical treatments of etch pit development monitoring by AFM, we designed a numerical model aimed at reproducing and quantifying the total surface evolution. Numerical results show that the stabilization of etch pits doubles the calculated dissolution rate, partly due to the intrinsically higher reactivity of pit walls, consistent with a dissolution process in line with the periodic bond chain (PBC) theory. In addition, normalizing the dissolution rate by the initial surface area of the (001) orthoclase surface induces a 20% overestimation of the calculated dissolution rate, while the total surface area of the dissolving face reaches a steady state after a few days of reaction. Additional simulations conducted to assess the impact of defect parameters revealed a weak dependence of the dissolution rate on dislocation density, consistent with previous experimental observations. Overall, the combined effect of the various defect parameters does not affect the dissolution rate by more than an order of magnitude, and probably contributes to a moderate extent to the dispersion of mineral dissolution rate data reported in the literature. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Pollet-Villard, Marion; Daval, Damien; Fritz, Bertrand; Schafer, Gerhard; Ackerer, Philippe] Univ Strasbourg EOST, CNRS, Lab Hydrol & Geochim Strasbourg, F-67084 Strasbourg, France.
[Daval, Damien; Knauss, Kevin G.] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Pollet-Villard, M (reprint author), Univ Strasbourg EOST, CNRS, Lab Hydrol & Geochim Strasbourg, F-67084 Strasbourg, France.
EM polletvillard@unistra.fr
FU LABEX [ANR-11-LABX-0050_G-EAU-THERMIE-PROFONDE]; Region Alsace; LABEX
"G-EAU-THERMIE PROFONDE"; Office of Science, Office of Basic Energy
Sciences, Chemical Sciences, Geosciences, and Biosciences Division, of
the U.S. Department of Energy [DE-AC02-05CH11231]
FX This work has been funded through a grant attributed to D.D. for the
project "Feldspar reactivity in the context of Soultz-sous-Forets: From
microstructural characterizations to numerical modeling" under the
framework of the LABEX ANR-11-LABX-0050_G-EAU-THERMIE-PROFONDE which
benefits from a funding from the state managed by the French National
Research Agency as part of the French "Investissements d'avenir".
M.P.-V. thanks the Region Alsace and LABEX "G-EAU-THERMIE PROFONDE" for
funding her PhD contract. K.G.K. effort at LBL was supported by the
Director, Office of Science, Office of Basic Energy Sciences, Chemical
Sciences, Geosciences, and Biosciences Division, of the U.S. Department
of Energy under Contract No. DE-AC02-05CH11231.
NR 54
TC 0
Z9 0
U1 12
U2 12
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0009-2541
EI 1878-5999
J9 CHEM GEOL
JI Chem. Geol.
PD DEC 30
PY 2016
VL 447
BP 79
EP 92
DI 10.1016/j.chemgeo.2016.09.038
PG 14
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA EF9ED
UT WOS:000390632600008
ER
PT J
AU Zheng, LG
Spycher, N
Bianchi, M
Pugh, JD
Varadharajan, C
Tinnacher, RM
Birkholzer, JT
Nico, P
Trautz, RC
AF Zheng, Liange
Spycher, Nicolas
Bianchi, Marco
Pugh, John D.
Varadharajan, Charuleka
Tinnacher, Ruth M.
Birkholzer, Jens T.
Nico, Peter
Trautz, Robert C.
TI Impacts of elevated dissolved CO2 on a shallow groundwater system:
Reactive transport modeling of a controlled-release field test
SO CHEMICAL GEOLOGY
LA English
DT Article
ID FRESH-WATER RESOURCES; BATCH-REACTION EXPERIMENT; CARBON-DIOXIDE; METAL
RELEASE; EVALUATING IMPACTS; POTENTIAL IMPACTS; LEAKAGE; AQUIFERS;
STORAGE; SEQUESTRATION
AB One of the risks that CO2 geological sequestration imposes on the environment is the impact of potential CO2/brine leakage on shallow groundwater. The reliability of reactive transport models predicting the response of groundwater to CO2 leakage depends on a thorough understanding of the relevant chemical processes and key parameters affecting dissolved CO2 transport and reaction. Such understanding can be provided by targeted field tests integrated with reactive transport modeling. A controlled-release field experiment was conducted in Mississippi to study the CO2-induced geochemical changes in a shallow sandy aquifer at about 50 m depth. The field test involved a dipole system in which the groundwater was pumped from one well, saturated with CO2 at the pressure corresponding to the hydraulic pressure of the aquifer, and then re-injected into the same aquifer using a second well. Groundwater samples were collected for chemical analyses from four monitoring wells before, during and after the dissolved CO2 wasinjected. In this paper, we present reactive transport models used to interpret the observed changes in metal concentrations in these groundwater samples. A reasonable agreement between simulated and measured concentrations indicates that the chemical response in the aquifer can be interpreted using a conceptual model that encompasses two main features: (a) a fast-reacting but limited pool of reactive minerals that responds.quickly to changes in pH and causes a pulse-like concentration change, and (b) a slow-reacting but essentially unlimited mineral pool that yields rising metal concentrations upon decreased groundwater velocities after pumping and injection stopped. During the injection, calcite dissolution and Ca-driven cation exchange reactions contribute to a sharp pulse in concentrations of Ca, Ba, Mg, Mn, K, Li, Na and Sr, whereas desorption reactions control a similar increase in Fe concentrations. After the injection and pumping stops and the groundwater flow rate decreases, the dissolution of relatively slow reacting minerals such as plagioclase drives the rising concentrations of alkali and alkaline earth metals observed at later stages of the test, whereas the dissolution of amorphous iron sulfide causes slowly increasing Fe concentrations. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Zheng, Liange; Spycher, Nicolas; Varadharajan, Charuleka; Tinnacher, Ruth M.; Birkholzer, Jens T.; Nico, Peter] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Bianchi, Marco] British Geol Survey, Kingsley Dunham Ctr, Nottingham NG12 5GG, England.
[Pugh, John D.] Southern Co Serv, 600 N 18th St, Birmingham, AL 35291 USA.
[Trautz, Robert C.] Elect Power Res Inst, 3420 Hillview Ave, Palo Alto, CA 94304 USA.
RP Zheng, LG (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM lzheng@lbl.gov
RI Birkholzer, Jens/C-6783-2011; zheng, liange/B-9748-2011; Spycher,
Nicolas/E-6899-2010
OI Birkholzer, Jens/0000-0002-7989-1912; zheng, liange/0000-0002-9376-2535;
FU Electric Power Research Institute [WF006458AMD1]; LBNL the EPA, Office
of Water; U.S. Department of Energy (DOE) at LBNL [DE-AC02-05CH11231];
Assistant Secretary for Fossil Energy, National Energy Technology
Laboratory (NETL), National Risk Assessment Program (NRAP), of the US
Department of Energy [DEAC02-05CH11231]
FX This work was supported by the Electric Power Research Institute via
contract WF006458AMD1 with LBNL the EPA, Office of Water, under an
Interagency Agreement with the U.S. Department of Energy (DOE) at LBNL,
under contract number DE-AC02-05CH11231; and the Assistant Secretary for
Fossil Energy, National Energy Technology Laboratory (NETL), National
Risk Assessment Program (NRAP), of the US Department of Energy under
Contract No. DEAC02-05CH11231.
NR 53
TC 0
Z9 0
U1 7
U2 7
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0009-2541
EI 1878-5999
J9 CHEM GEOL
JI Chem. Geol.
PD DEC 30
PY 2016
VL 447
BP 117
EP 132
DI 10.1016/j.chemgeo.2016.10.027
PG 16
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA EF9ED
UT WOS:000390632600010
ER
PT J
AU Patel, S
Min, MS
Lee, T
AF Patel, Saumil
Min, Misun
Lee, Taehun
TI A spectral-element discontinuous Galerkin thermal lattice Boltzmann
method for conjugate heat transfer applications
SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS
LA English
DT Article
DE conjugate heat transfer; spectral-element method; discontinuous Galerkin
method; Lattice Boltzmann method
ID LAMINAR CROSS-FLOW; NATURAL-CONVECTION; NUMERICAL-SIMULATION;
CIRCULAR-CYLINDER; FORCED-CONVECTION; MODEL; EQUATION
AB We present a spectral-element discontinuous Galerkin thermal lattice Boltzmann method for fluid-solid conjugate heat transfer applications. Using the discrete Boltzmann equation, we propose a numerical scheme for conjugate heat transfer applications on unstructured, non-uniform grids. We employ a double-distribution thermal lattice Boltzmann model to resolve flows with variable Prandtl (Pr) number. Based upon its finite element heritage, the spectral-element discontinuous Galerkin discretization provides an effective means to model and investigate thermal transport in applications with complex geometries. Our solutions are represented by the tensor product basis of the one-dimensional Legendre-Lagrange interpolation polynomials. A high-order discretization is employed on body-conforming hexahedral elements with Gauss-Lobatto-Legendre quadrature nodes. Thermal and hydrodynamic bounce-back boundary conditions are imposed via the numerical flux formulation that arises because of the discontinuous Galerkin approach. As a result, our scheme does not require tedious extrapolation at the boundaries, which may cause loss of mass conservation. We compare solutions of the proposed scheme with an analytical solution for a solid-solid conjugate heat transfer problem in a 2D annulus and illustrate the capture of temperature continuities across interfaces for conductivity ratio gamma > 1. We also investigate the effect of Reynolds (Re) and Grashof (Gr) number on the conjugate heat transfer between a heat-generating solid and a surrounding fluid. Steady-state results are presented for Re = 5 - 40 and Gr = 10(5) - 10(6). In each case, we discuss the effect of Re and Gr on the heat flux (i.e. Nusselt number Nu) at the fluid-solid interface. Our results are validated against previous studies that employ finite-difference and continuous spectral-element methods to solve the Navier-Stokes equations. Copyright (C) 2016 John Wiley & Sons, Ltd.
C1 [Patel, Saumil; Lee, Taehun] CUNY City Coll, Dept Mech Engn, New York, NY 10031 USA.
[Min, Misun] Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Lee, T (reprint author), CUNY City Coll, Dept Mech Engn, New York, NY 10031 USA.
EM thlee@ccny.cuny.edu
RI Lee, Taehun/G-2695-2010
OI Lee, Taehun/0000-0001-9965-5637
FU US Department of Energy, Office of Nuclear Energy's Nuclear Energy
University Programs; US Department of Energy [DE-ACO2-O6CH11357]
FX This work is supported in part by the US Department of Energy, Office of
Nuclear Energy's Nuclear Energy University Programs, and in part by the
US Department of Energy, under Contract DE-ACO2-O6CH11357. We also thank
Kalu Chibueze Uga for his help in formulating the thermal boundary
condition.
NR 30
TC 0
Z9 0
U1 5
U2 5
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0271-2091
EI 1097-0363
J9 INT J NUMER METH FL
JI Int. J. Numer. Methods Fluids
PD DEC 30
PY 2016
VL 82
IS 12
BP 932
EP 952
DI 10.1002/fld.4250
PG 21
WC Computer Science, Interdisciplinary Applications; Mathematics,
Interdisciplinary Applications; Mechanics; Physics, Fluids & Plasmas
SC Computer Science; Mathematics; Mechanics; Physics
GA ED4CW
UT WOS:000388796000008
ER
PT J
AU Li, ZJ
Cheng, XP
Gustafson, WI
Vogelmann, AM
AF Li, Zhijin
Cheng, Xiaoping
Gustafson, William I., Jr.
Vogelmann, Andrew M.
TI Spectral characteristics of background error covariance and multiscale
data assimilation
SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS
LA English
DT Article
DE Variational data assimilation; Kalman Filter; atmospheric and oceanic
models; multiscale algorithm; background error covariance; spectral
power density
ID VARIATIONAL DATA ASSIMILATION; ENSEMBLE KALMAN FILTER; ATMOSPHERIC DATA
ASSIMILATION; PART I; ANALYSIS SYSTEM; SCHEME; FORMULATION; CLOUD;
IMPLEMENTATION; PREDICTION
AB The spatial resolutions of numerical atmospheric and oceanic circulation models have steadily increased over the past decades. Horizontal grid spacing down to the order of 1 km is now often used to resolve cloud systems in the atmosphere and sub-mesoscale circulation systems in the ocean. These fine resolution models encompass a wide range of temporal and spatial scales, across which dynamical and statistical properties vary. In particular, dynamic flow systems at small scales can be spatially localized and temporarily intermittent. Difficulties of current data assimilation algorithms for such fine resolution models are numerically and theoretically examined. An analysis shows that the background error correlation length scale is larger than 75 km for streamfunctions and is larger than 25 km for water vapor mixing ratios, even for a 2-km resolution model. A theoretical analysis suggests that such correlation length scales prevent the currently used data assimilation schemes from constraining spatial scales smaller than 150 km for streamfunctions and 50 km for water vapor mixing ratios. These results highlight the need to fundamentally modify currently used data assimilation algorithms for assimilating high-resolution observations into the aforementioned fine resolution models. Within the framework of four-dimensional variational data assimilation, a multiscale methodology based on scale decomposition is suggested and challenges are discussed. Copyright (C) 2016 John Wiley & Sons, Ltd.
C1 [Li, Zhijin] CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91125 USA.
[Cheng, Xiaoping] Univ Calif Los Angeles, Joint Inst Reg Earth Syst Sci & Engn, Los Angeles, CA USA.
[Gustafson, William I., Jr.] Pacific Northwest Natl Lab, Richland, WA USA.
[Vogelmann, Andrew M.] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Li, ZJ (reprint author), CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91125 USA.
EM Zhijin.Li@jpl.nasa.gov
RI Gustafson, William/A-7732-2008; Vogelmann, Andrew/M-8779-2014
OI Gustafson, William/0000-0001-9927-1393; Vogelmann,
Andrew/0000-0003-1918-5423
FU National Aeronautics and Space Administration (NASA); U.S. Department of
Energy Atmospheric Radiation Measurement Climate Research Facility via
Pacific Northwest National Laboratory (PNNL); DOE [DE-AC05-76RL01830];
Atmospheric System Research Program [DE-SC00112704]
FX The research described in this publication was carried out, in part, at
the Jet Propulsion Laboratory (JPL), California Institute of Technology,
under a contract with the National Aeronautics and Space Administration
(NASA). This research was supported in part by the U.S. Department of
Energy Atmospheric Radiation Measurement Climate Research Facility via a
subcontract from the Pacific Northwest National Laboratory (PNNL). PNNL
is operated for DOE by Battelle Memorial Institute under contract
DE-AC05-76RL01830 and the BNL contribution is through the Atmospheric
System Research Program via DE-SC00112704. ZL is deeply grateful to
Prof. I. Michael Navon for his continued encouragement, invaluable
advice, and gracious support since the days when ZL was a postdoc
working with him 20 years ago. The authors thank the anonymous reviewers
for comments that were very helpful for improving the manuscript.
NR 51
TC 0
Z9 0
U1 6
U2 6
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0271-2091
EI 1097-0363
J9 INT J NUMER METH FL
JI Int. J. Numer. Methods Fluids
PD DEC 30
PY 2016
VL 82
IS 12
BP 1035
EP 1048
DI 10.1002/fld.4253
PG 14
WC Computer Science, Interdisciplinary Applications; Mathematics,
Interdisciplinary Applications; Mechanics; Physics, Fluids & Plasmas
SC Computer Science; Mathematics; Mechanics; Physics
GA ED4CW
UT WOS:000388796000013
ER
PT J
AU Wu, LM
Xiao, XH
Wen, YH
Zhang, J
AF Wu, Linmin
Xiao, Xianghui
Wen, Youhai
Zhang, Jing
TI Three-dimensional finite element study on stress generation in
synchrotron X-ray tomography reconstructed nickel-manganese cobalt based
half cell
SO JOURNAL OF POWER SOURCES
LA English
DT Article
DE Synchrotron X-ray tomography; NMC; Phase transitions; Finite element;
Stress; Diffusion
ID LITHIUM-ION BATTERIES; INTERCALATION-INDUCED STRESS;
NUMERICAL-SIMULATION; HEAT-GENERATION; INSERTION CELL; PARTICLES; MODEL;
EVOLUTION; PHASE
AB In this study, the stress generation caused by phase transitions and lithium intercalation of nickel-manganese-cobalt (NMC) based half cell with realistic 3D microstructures has been studied using finite element method. The electrochemical properties and discharged curves under various C rates are studied. The potential drops significantly with the increase of C rates. During the discharge process, for particles isolated from the conductive channels, several particles with no lithium ion intercalation are observed. For particles in the electrochemical network, the lithium ion concentration increases during the discharge process. The stress generation inside NMC particles is calculated coupled with lithium diffusion and phase transitions. The results show the stresses near the concave and convex regions are the highest. The neck regions of the connected particles can break and form several isolated particles. If the isolated particles are not connected with the electrically conductive materials such as carbon and binder, the capacity loses in battery. For isolated particles in the conductive channel, cracks are more likely to form on the surface. Moreover, stresses inside the particles increase dramatically when considering phase transitions. The phase transitions introduce an abrupt volume change and generate the strain mismatch, causing the stresses increase. (C) 2016 Elsevier B.V. All rights reserved.
C1 [Wu, Linmin; Zhang, Jing] Indiana Univ Purdue Univ, Dept Mech Engn, Indianapolis, IN 46202 USA.
[Xiao, Xianghui] Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Wen, Youhai] Natl Energy Technol Lab, Albany, OR 97321 USA.
RP Zhang, J (reprint author), Indiana Univ Purdue Univ, Dept Mech Engn, Indianapolis, IN 46202 USA.
EM jz29@iupui.edu
OI Zhang, Jing/0000-0002-8200-5117
FU DOE Office of Science [DE-AC02-06CH11357]
FX This research used resources of the Advanced Photon Source, a U.S.
Department of Energy (DOE) Office of Science User Facility operated for
the DOE Office of Science by Argonne National Laboratory under Contract
No. DE-AC02-06CH11357. The micro tomography data was collected at the
X-ray Operations and Research beamline 2-BM at the Advanced Photon
Source, Argonne National Laboratory.
NR 32
TC 1
Z9 1
U1 20
U2 20
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0378-7753
EI 1873-2755
J9 J POWER SOURCES
JI J. Power Sources
PD DEC 30
PY 2016
VL 336
BP 8
EP 18
DI 10.1016/j.jpowsour.2016.10.052
PG 11
WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials
Science, Multidisciplinary
SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science
GA ED7XV
UT WOS:000389086900002
ER
PT J
AU Egan, GC
Sullivan, KT
Olson, TY
Han, TYJ
Worsley, MA
Zachariah, MR
AF Egan, Garth C.
Sullivan, Kyle T.
Olson, Tammy Y.
Han, T. Yong-Jin
Worsley, Marcus A.
Zachariah, Michael R.
TI Ignition and Combustion Characteristics of Nanoaluminum with Copper
Oxide Nanoparticles of Differing Oxidation State
SO JOURNAL OF PHYSICAL CHEMISTRY C
LA English
DT Article
ID RESOLVED MASS-SPECTROMETRY; OXYGEN RELEASE; METAL-OXIDES; PROPAGATION;
THERMITES; AL/CUO; COMPOSITES; MECHANISMS; PRESSURE; BEHAVIOR
AB The importance of the oxidation state of an oxidizer and its impact on gaseous oxygen and total gas production in nanocomposite thermite combustion was investigated by probing the reaction and ignition properties of aluminum nanoparticles (Al-NPs) with both cupric oxide (CuO) and cuprous oxide (Cu2O) nanoparticles. The gas release and ignition behavior of these materials were tested with >10(5) K/s temperature jump (T-jump) heating pulses in a high temporal resolution time-of-flight mass spectrometer (ToF-MS) as well as in an argon environment. Reactivity was tested using a constant volume combustion cell with simultaneous pressure and optical measurements. A variety of Cu2O particle sizes ranging from 200 to 1500 nm were synthesized and found to release oxygen at similar to 1200 K, which is higher than the values found for a variety of CuO particle sizes (similar to 1000 K). Both oxides were found to ignite around 1000 K, which implies a consistent ignition mechanism for both through a condensed phase pathway. The higher oxidation state (CuO) thermites were found to react faster and produce higher pressures by several orders of magnitude, which implies that gaseous species play a critical role in the combustion process. Differences in reactivity between argon and vacuum environments and the use of Cu diluent to simulate Cu2O suggest that it is the intermediate product gas, O-2 that plays the most significant role in combustion as an enabler of heat transfer and a secondary oxidizer. The lack of any oxidizer size dependence on ignition is suggestive of rapid sintering that wipes out the effect of enhanced interfacial contact area for smaller oxidizers.
C1 [Egan, Garth C.; Zachariah, Michael R.] Univ Maryland, Dept Chem & Biomol Engn, College Pk, MD 20742 USA.
[Egan, Garth C.; Zachariah, Michael R.] Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA.
[Sullivan, Kyle T.; Olson, Tammy Y.; Han, T. Yong-Jin; Worsley, Marcus A.] Lawrence Livermore Natl Lab, Div Mat Sci, Livermore, CA 94550 USA.
RP Zachariah, MR (reprint author), Univ Maryland, Dept Chem & Biomol Engn, College Pk, MD 20742 USA.; Zachariah, MR (reprint author), Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA.
EM mrz@umd.edu
FU Army Research Office (Ralph Anthenien); Defense Threat Reduction Agency;
Laboratory Directed Research and Development Program at LLNL [13-ER-022,
14-SI-004]; U.S. Department of Energy by Lawrence Livermore National
Laboratory [DE-AC52-07NA27344]
FX We acknowledge the help of Pui Ching (Steve) Lan in synthesizing the
Cu2O nanoparticles. Work conducted by M.RZ. and G.C.E. has
been supported by the Army Research Office (Ralph Anthenien) and the
Defense Threat Reduction Agency. Work conducted by K.T.S., T.Y.O.,
M.A.W., and T.Y.-J.H. was supported by the Laboratory Directed Research
and Development Program at LLNL (13-ER-022, 14-SI-004). This work was
performed under the auspices of the U.S. Department of Energy by
Lawrence Livermore National Laboratory under Contract No.
DE-AC52-07NA27344. This paper was reviewed for release as
LLNL-JRNL-681429.
NR 27
TC 0
Z9 0
U1 1
U2 1
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1932-7447
J9 J PHYS CHEM C
JI J. Phys. Chem. C
PD DEC 29
PY 2016
VL 120
IS 51
BP 29023
EP 29029
DI 10.1021/acs.jpcc.6b11081
PG 7
WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA EG6MK
UT WOS:000391160400014
ER
PT J
AU Adare, A
Aidala, C
Ajitanand, NN
Akiba, Y
Akimoto, R
Alfred, M
Apadula, N
Aramaki, Y
Asano, H
Atomssa, ET
Awes, TC
Azmoun, B
Babintsev, V
Bai, M
Bandara, NS
Bannier, B
Barish, KN
Bathe, S
Bazilevsky, A
Beaumier, M
Beckman, S
Belmont, R
Berdnikov, A
Berdnikov, Y
Black, D
Blau, DS
Bok, JS
Boyle, K
Brooks, ML
Bryslawskyj, J
Buesching, H
Bumazhnov, V
Campbell, S
Chen, CH
Chi, CY
Chiu, M
Choi, IJ
Choi, JB
Chujo, T
Citron, Z
Csanad, M
Csorgo, T
Danley, TW
Datta, A
Daugherity, MS
David, G
DeBlasio, K
Dehmelt, K
Denisov, A
Deshpande, A
Desmond, EJ
Ding, L
Dion, A
Diss, PB
Do, JH
Drees, A
Drees, KA
Durham, JM
Durum, A
Enokizono, A
En'yo, H
Esumi, S
Fadem, B
Feege, N
Fields, DE
Finger, M
Finger, M
Fokin, SL
Frantz, JE
Franz, A
Frawley, AD
Gal, C
Gallus, P
Garg, P
Ge, H
Giordano, F
Glenn, A
Goto, Y
Grau, N
Greene, SV
Perdekamp, MG
Gu, Y
Gunji, T
Guragain, H
Hachiya, T
Haggerty, JS
Hahn, KI
Hamagaki, H
Hamilton, HF
Han, SY
Hanks, J
Hasegawa, S
Haseler, TOS
Hashimoto, K
He, X
Hemmick, TK
Hill, JC
Hollis, RS
Homma, K
Hong, B
Hoshino, T
Hotvedt, N
Huang, J
Huang, S
Ikeda, Y
Imai, K
Imazu, Y
Inaba, M
Iordanova, A
Isenhower, D
Ivanishchev, D
Jacak, BV
Jeon, SJ
Jezghani, M
Jia, J
Jiang, X
Johnson, BM
Joo, E
Joo, KS
Jouan, D
Jumper, DS
Kanda, S
Kang, JH
Kang, JS
Kawall, D
Kazantsev, AV
Key, JA
Khachatryan, V
Khanzadeev, A
Kihara, K
Kim, C
Kim, DH
Kim, DJ
Kim, EJ
Kim, GW
Kim, HJ
Kim, M
Kim, YK
Kimelman, B
Kistenev, E
Kitamura, R
Klatsky, J
Kleinjan, D
Kline, P
Koblesky, T
Kofarago, M
Komkov, B
Koster, J
Kotov, D
Kurita, K
Kurosawa, M
Kwon, Y
Lacey, R
Lajoie, JG
Lebedev, A
Lee, KB
Lee, S
Lee, SH
Leitch, MJ
Leitgab, M
Li, X
Lim, SH
Liu, MX
Lynch, D
Makdisi, YI
Makek, M
Manion, A
Manko, VI
Mannel, E
McCumber, M
McGaughey, PL
McGlinchey, D
McKinney, C
Meles, A
Mendoza, M
Meredith, B
Miake, Y
Mignerey, AC
Miller, AJ
Milov, A
Mishra, DK
Mitchell, JT
Miyasaka, S
Mizuno, S
Mohanty, AK
Montuenga, P
Moon, T
Morrison, DP
Moukhanova, TV
Murakami, T
Murata, J
Mwai, A
Nagamiya, S
Nagashima, K
Nagle, JL
Nagy, MI
Nakagawa, I
Nakagomi, H
Nakano, K
Nattrass, C
Netrakanti, PK
Nihashi, M
Niida, T
Nishimura, S
Nouicer, R
Novak, T
Novitzky, N
Nyanin, AS
O'Brien, E
Ogilvie, CA
Koop, JDO
Osborn, JD
Oskarsson, A
Ozawa, K
Pak, R
Pantuev, V
Papavassiliou, V
Park, JS
Park, S
Pate, SF
Patel, L
Patel, M
Peng, JC
Perepelitsa, DV
Perera, GDN
Peressounko, DY
Perry, J
Petti, R
Pinkenburg, C
Pinson, R
Pisani, RP
Purschke, ML
Rak, J
Ramson, BJ
Ravinovich, I
Read, KF
Reynolds, D
Riabov, V
Riabov, Y
Rinn, T
Riveli, N
Roach, D
Rolnick, SD
Rosati, M
Rowan, Z
Rubin, JG
Sahlmueller, B
Saito, N
Sakaguchi, T
Sako, H
Samsonov, V
Sarsour, M
Sato, S
Sawada, S
Schaefer, B
Schmoll, BK
Sedgwick, K
Seele, J
Seidl, R
Sen, A
Seto, R
Sett, P
Sexton, A
Sharma, D
Shein, I
Shibata, TA
Shigaki, K
Shimomura, M
Shukla, P
Sickles, A
Silva, CL
Silvermyr, D
Singh, BK
Singh, CP
Singh, V
Slunecka, M
Snowball, M
Soltz, RA
Sondheim, WE
Sorensen, SP
Sourikova, IV
Stankus, PW
Stepanov, M
Stoll, SP
Sugitate, T
Sukhanov, A
Sumita, T
Sun, J
Sziklai, J
Takahara, A
Taketani, A
Tanida, K
Tannenbaum, MJ
Tarafdar, S
Taranenko, A
Tieulent, R
Timilsina, A
Todoroki, T
Tomasek, M
Torii, H
Towell, CL
Towell, M
Towell, R
Towell, RS
Tserruya, I
van Hecke, HW
Vargyas, M
Velkovska, J
Virius, M
Vrba, V
Vznuzdaev, E
Wang, XR
Watanabe, D
Watanabe, Y
Watanabe, YS
Wei, F
Whitaker, S
White, AS
Wolin, S
Woody, CL
Wysocki, M
Xia, B
Xue, L
Yalcin, S
Yamaguchi, YL
Yanovich, A
Yoo, JH
Yoon, I
Younus, I
Yu, H
Yushmanov, IE
Zajc, WA
Zelenski, A
Zhou, S
Zou, L
AF Adare, A.
Aidala, C.
Ajitanand, N. N.
Akiba, Y.
Akimoto, R.
Alfred, M.
Apadula, N.
Aramaki, Y.
Asano, H.
Atomssa, E. T.
Awes, T. C.
Azmoun, B.
Babintsev, V.
Bai, M.
Bandara, N. S.
Bannier, B.
Barish, K. N.
Bathe, S.
Bazilevsky, A.
Beaumier, M.
Beckman, S.
Belmont, R.
Berdnikov, A.
Berdnikov, Y.
Black, D.
Blau, D. S.
Bok, J. S.
Boyle, K.
Brooks, M. L.
Bryslawskyj, J.
Buesching, H.
Bumazhnov, V.
Campbell, S.
Chen, C. -H.
Chi, C. Y.
Chiu, M.
Choi, I. J.
Choi, J. B.
Chujo, T.
Citron, Z.
Csanad, M.
Csorgo, T.
Danley, T. W.
Datta, A.
Daugherity, M. S.
David, G.
DeBlasio, K.
Dehmelt, K.
Denisov, A.
Deshpande, A.
Desmond, E. J.
Ding, L.
Dion, A.
Diss, P. B.
Do, J. H.
Drees, A.
Drees, K. A.
Durham, J. M.
Durum, A.
Enokizono, A.
En'yo, H.
Esumi, S.
Fadem, B.
Feege, N.
Fields, D. E.
Finger, M.
Finger, M., Jr.
Fokin, S. L.
Frantz, J. E.
Franz, A.
Frawley, A. D.
Gal, C.
Gallus, P.
Garg, P.
Ge, H.
Giordano, F.
Glenn, A.
Goto, Y.
Grau, N.
Greene, S. V.
Perdekamp, M. Grosse
Gu, Y.
Gunji, T.
Guragain, H.
Hachiya, T.
Haggerty, J. S.
Hahn, K. I.
Hamagaki, H.
Hamilton, H. F.
Han, S. Y.
Hanks, J.
Hasegawa, S.
Haseler, T. O. S.
Hashimoto, K.
He, X.
Hemmick, T. K.
Hill, J. C.
Hollis, R. S.
Homma, K.
Hong, B.
Hoshino, T.
Hotvedt, N.
Huang, J.
Huang, S.
Ikeda, Y.
Imai, K.
Imazu, Y.
Inaba, M.
Iordanova, A.
Isenhower, D.
Ivanishchev, D.
Jacak, B. V.
Jeon, S. J.
Jezghani, M.
Jia, J.
Jiang, X.
Johnson, B. M.
Joo, E.
Joo, K. S.
Jouan, D.
Jumper, D. S.
Kanda, S.
Kang, J. H.
Kang, J. S.
Kawall, D.
Kazantsev, A. V.
Key, J. A.
Khachatryan, V.
Khanzadeev, A.
Kihara, K.
Kim, C.
Kim, D. H.
Kim, D. J.
Kim, E. -J.
Kim, G. W.
Kim, H. -J.
Kim, M.
Kim, Y. K.
Kimelman, B.
Kistenev, E.
Kitamura, R.
Klatsky, J.
Kleinjan, D.
Kline, P.
Koblesky, T.
Kofarago, M.
Komkov, B.
Koster, J.
Kotov, D.
Kurita, K.
Kurosawa, M.
Kwon, Y.
Lacey, R.
Lajoie, J. G.
Lebedev, A.
Lee, K. B.
Lee, S.
Lee, S. H.
Leitch, M. J.
Leitgab, M.
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Liu, M. X.
Lynch, D.
Makdisi, Y. I.
Makek, M.
Manion, A.
Manko, V. I.
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Nattrass, C.
Netrakanti, P. K.
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Novak, T.
Novitzky, N.
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O'Brien, E.
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Sharma, D.
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Shibata, T. -A.
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Shukla, P.
Sickles, A.
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Silvermyr, D.
Singh, B. K.
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Singh, V.
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Soltz, R. A.
Sondheim, W. E.
Sorensen, S. P.
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Todoroki, T.
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Wang, X. R.
Watanabe, D.
Watanabe, Y.
Watanabe, Y. S.
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Whitaker, S.
White, A. S.
Wolin, S.
Woody, C. L.
Wysocki, M.
Xia, B.
Xue, L.
Yalcin, S.
Yamaguchi, Y. L.
Yanovich, A.
Yoo, J. H.
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Younus, I.
Yu, H.
Yushmanov, I. E.
Zajc, W. A.
Zelenski, A.
Zhou, S.
Zou, L.
CA PHENIX Collaboration
TI Measurements of double-helicity asymmetries in inclusive J/Psi
production in longitudinally polarized p plus p collisions at root s=510
GeV
SO PHYSICAL REVIEW D
LA English
DT Article
ID PARTON DISTRIBUTIONS; SPIN; PHENIX; SCATTERING; DETECTOR; NUCLEON; QCD
AB We report the double-helicity asymmetry, A(LL)(J/Psi), in inclusive J/Psi production at forward rapidity as a function of transverse momentum p(T) and rapidity |y|. The data analyzed were taken during root s = 510 GeV longitudinally polarized p + p collisions at the Relativistic Heavy Ion Collider in the 2013 run using the PHENIX detector. At this collision energy, J/Psi particles are predominantly produced through gluon-gluon scatterings, thus A(LL)(J/Psi) is sensitive to the gluon polarization inside the proton. We measured A(LL)(J/Psi) by detecting the decay daughter muon pairs mu(+)mu(-) within the PHENIX muon spectrometers in the rapidity range 1.2 < |y| < 2.2. In this kinematic range, we measured the A(LL)(J/Psi) to be 0.012 +/- 0.010 (stat) +/- 0.003 (syst). The A(LL)(J.Psi) can be expressed to be proportional to the product of the gluon polarization distributions at two distinct ranges of Bjorken x: one at moderate range x approximate to 5 x 10(-2) where recent data of jet and pi(0) double helicity spin asymmetries have shown evidence for significant gluon polarization, and the other one covering the poorly known small-x region x approximate to 2 x 10(-3). Thus our new results could be used to further constrain the gluon polarization for x < 5 x 10(-2).
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EM akiba@bnl.gov
RI Durum, Artur/C-3027-2014; Taketani, Atsushi/E-1803-2017
OI Taketani, Atsushi/0000-0002-4776-2315
FU Office of Nuclear Physics in the Office of Science of the Department of
Energy; National Science Foundation; Abilene Christian University
Research Council; Research Foundation of SUNY; Ministry of Education,
Culture, Sports, Science, and Technology and the Japan Society for the
Promotion of Science (Japan); Conselho Nacional de Desenvolvimento
Cientifico e Tecnologico; Fundacao de Amparo a Pesquisa do Estado de Sao
Paulo (Brazil); Natural Science Foundation of China (People's Republic
of China); Croatian Science Foundation; Ministry of Science, Education,
and Sports (Croatia); Ministry of Education, Youth and Sports (Czech
Republic); Centre National de la Recherche Scientifique, Commissariat a
l'Energie Atomique, and Institut National de Physique Nucleaire et de
Physique des Particules (France); Bundesministerium fur Bildung und
Forschung; Deutscher Akademischer Austausch Dienst; Alexander von
Humboldt Stiftung (Germany); National Science Fund; OTKA; Karoly Robert
University College; Ch. Simonyi Fund (Hungary); Department of Atomic
Energy; Department of Science and Technology (India); Israel Science
Foundation (Israel); Basic Science Research Program through NRF of the
Ministry of Education (Korea); Physics Department, Lahore University of
Management Sciences (Pakistan); Ministry of Education and Science,
Russian Academy of Sciences, Federal Agency of Atomic Energy (Russia);
VR and Wallenberg Foundation (Sweden); U.S. Civilian Research and
Development Foundation for the Independent States of the Former Soviet
Union; Hungarian American Enterprise Scholarship Fund; U.S.-Israel
Binational Science Foundation
FX We thank the staff of the Collider-Accelerator and Physics Departments
at Brookhaven National Laboratory and the staff of the other PHENIX
participating institutions for their vital contributions. We also thank
E. R. Nocera for helpful discussions on the reweighting using
NNPDFpol1.1. We acknowledge support from the Office of Nuclear Physics
in the Office of Science of the Department of Energy, the National
Science Foundation, Abilene Christian University Research Council,
Research Foundation of SUNY, and Dean of the College of Arts and
Sciences, Vanderbilt University (U.S.A.), Ministry of Education,
Culture, Sports, Science, and Technology and the Japan Society for the
Promotion of Science (Japan), Conselho Nacional de Desenvolvimento
Cientifico e Tecnologico and Fundacao de Amparo a Pesquisa do Estado de
Sao Paulo (Brazil), Natural Science Foundation of China (People's
Republic of China), Croatian Science Foundation and Ministry of Science,
Education, and Sports (Croatia), Ministry of Education, Youth and Sports
(Czech Republic), Centre National de la Recherche Scientifique,
Commissariat a l'Energie Atomique, and Institut National de Physique
Nucleaire et de Physique des Particules (France), Bundesministerium fur
Bildung und Forschung, Deutscher Akademischer Austausch Dienst, and
Alexander von Humboldt Stiftung (Germany), National Science Fund, OTKA,
Karoly Robert University College, and the Ch. Simonyi Fund (Hungary),
Department of Atomic Energy and Department of Science and Technology
(India), Israel Science Foundation (Israel), Basic Science Research
Program through NRF of the Ministry of Education (Korea), Physics
Department, Lahore University of Management Sciences (Pakistan),
Ministry of Education and Science, Russian Academy of Sciences, Federal
Agency of Atomic Energy (Russia), VR and Wallenberg Foundation (Sweden),
the U.S. Civilian Research and Development Foundation for the
Independent States of the Former Soviet Union, the Hungarian American
Enterprise Scholarship Fund, and the U.S.-Israel Binational Science
Foundation.
NR 47
TC 0
Z9 0
U1 18
U2 18
PU AMER PHYSICAL SOC
PI COLLEGE PK
PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
SN 2470-0010
EI 2470-0029
J9 PHYS REV D
JI Phys. Rev. D
PD DEC 29
PY 2016
VL 94
IS 11
AR 112008
DI 10.1103/PhysRevD.94.112008
PG 10
WC Astronomy & Astrophysics; Physics, Particles & Fields
SC Astronomy & Astrophysics; Physics
GA EG4LU
UT WOS:000391016600001
ER
PT J
AU Khachatryan, V
Sirunyan, AM
Tumasyan, A
Adam, W
Asilar, E
Bergauer, T
Brandstetter, J
Brondolin, E
Dragicevic, M
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Flechl, M
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Ghete, VM
Hartl, C
Hormann, N
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Jeitler, M
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Liko, D
Matsushita, T
Mikulec, I
Rabady, D
Rad, N
Rahbaran, B
Rohringer, H
Schieck, J
Strauss, J
Treberer-Treberspurg, W
Waltenberger, W
Wulz, CE
Mossolov, V
Shumeiko, N
Gonzalez, JS
Alderweireldt, S
Cornelis, T
De Wolf, EA
Janssen, X
Lauwers, J
Luyckx, S
Van de Klundert, M
Van Haevermaet, H
Van Mechelen, P
Van Remortel, N
Van Spilbeeck, A
Abu Zeid, S
Blekman, F
D'Hondt, J
Daci, N
De Bruyn, I
Deroover, K
Heracleous, N
Keaveney, J
Lowette, S
Moortgat, S
Moreels, L
Olbrechts, A
Python, Q
Strom, D
Tavernier, S
Van Doninck, W
Van Mulders, P
Van Parijs, I
Brun, H
Caillol, C
Clerbaux, B
De Lentdecker, G
Fasanella, G
Favart, L
Goldouzian, R
Grebenyuk, A
Karapostoli, G
Lenzi, T
Leonard, A
Maerschalk, T
Marinov, A
Randle-Conde, A
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Vander Velde, C
Vanlaer, P
Yonamine, R
Zenoni, F
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Fagot, A
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Rios, AAO
Poyraz, D
Ryckbosch, D
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Schofbeck, R
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Zaganidis, N
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Delaere, C
Delcourt, M
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CA CMS Collaboration
TI Searches for R-parity-violating supersymmetry in pp collisions at root
s=8 TeV in final states with 0-4 leptons
SO PHYSICAL REVIEW D
LA English
DT Article
ID E(+)E(-) COLLISIONS; PARTICLES; PHYSICS; DECAYS
AB Results are presented from searches for R-parity-violating supersymmetry in events produced in pp collisions at root s = 8 TeV at the LHC. Final states with 0, 1, 2, or multiple leptons are considered independently. The analysis is performed on data collected by the CMS experiment corresponding to an integrated luminosity of 19.5 fb(-1). No excesses of events above the standard model expectations are observed, and 95% confidence level limits are set on supersymmetric particle masses and production cross sections. The results are interpreted in models featuring R-parity-violating decays of the lightest supersymmetric particle, which in the studied scenarios can be either the gluino, a bottom squark, or a neutralino. In a gluino pair production model with baryon number violation, gluinos with a mass less than 0.98 and 1.03 TeV are excluded, by analyses in a fully hadronic and one-lepton final state, respectively. An analysis in a dilepton final state is used to exclude bottom squarks with masses less than 307 GeV in a model considering bottom squark pair production. Multilepton final states are considered in the context of either strong or electroweak production of superpartners and are used to set limits on the masses of the lightest supersymmetric particles. These limits range from 300 to 900 GeV in models with leptonic and up to approximately 700 GeV in models with semileptonic R-parity-violating couplings.
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[Agapitos, A.; Kesisoglou, S.; Panagiotou, A.; Saoulidou, N.; Tziaferi, E.] Univ Athens, Athens, Greece.
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[Ciulli, V.; D'Alessandro, R.; Focardi, E.; Gori, V.; Lenzi, P.; Viliani, L.] Univ Florence, Florence, Italy.
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[Calvelli, V.; Lo Vetere, M.; Monge, M. R.; Tosi, S.] Univ Genoa, Genoa, Italy.
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[Esposito, M.; Iorio, A. O. M.; Sciacca, C.] Univ Napoli Federico II, Naples, Italy.
[Cavallo, N.; Fabozzi, F.] Univ Basilicata, Potenza, Italy.
[Di Guida, S.; Meola, S.] Univ G Marconi, Rome, Italy.
[Azzi, P.; Bacchetta, N.; Benato, L.; Bisello, D.; Boletti, A.; Carlin, R.; Checchia, P.; Dall'Osso, M.; Manzano, P. De Castro; Dorigo, T.; Dosselli, U.; Gasparini, F.; Gasparini, U.; Gozzelino, A.; Lacaprara, S.; Margoni, M.; Meneguzzo, A. T.; Montecassiano, F.; Passaseo, M.; Pazzini, J.; Pegoraro, M.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Torassa, E.; Tosi, M.; Vanini, S.; Zanetti, M.; Zotto, P.; Zucchetta, A.] Ist Nazl Fis Nucl, Sez Padova, Padua, Italy.
[Benato, L.] Univ Padua, Padua, Italy.
Univ Trent, Trento, Italy.
[Braghieri, A.; Magnani, A.; Montagna, P.; Ratti, S. P.; Re, V.; Riccardi, C.; Salvini, P.; Vai, I.; Vitulo, P.] Ist Nazl Fis Nucl, Sez Pavia, Pavia, Italy.
[Magnani, A.; Montagna, P.; Ratti, S. P.; Re, V.; Riccardi, C.; Vai, I.; Vitulo, P.] Univ Pavia, Pavia, Italy.
[Azzi, P.; Bacchetta, N.; Benato, L.; Bisello, D.; Boletti, A.; Carlin, R.; Checchia, P.; Dall'Osso, M.; Manzano, P. De Castro; Dorigo, T.; Dosselli, U.; Gasparini, F.; Gasparini, U.; Gozzelino, A.; Lacaprara, S.; Margoni, M.; Meneguzzo, A. T.; Montecassiano, F.; Passaseo, M.; Pazzini, J.; Pegoraro, M.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Torassa, E.; Tosi, M.; Vanini, S.; Zanetti, M.; Zotto, P.; Zucchetta, A.; Saha, A.] Ist Nazl Fis Nucl, Sez Perugia, Perugia, Italy.
[Solestizi, L. Alunni; Ciangottini, D.; Fano, L.; Lariccia, P.; Leonardi, R.; Mantovani, G.; Santocchia, A.] Univ Perugia, Perugia, Italy.
[Abdulsalam, A.; Androsov, K.; Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Castaldi, R.; Ciocci, M. A.; Dell'Orso, R.; Donato, S.; Fedi, G.; Giassi, A.; Grippo, M. T.; Ligabue, F.; Lomtadz, T.; Martini, L.; Messineo, A.; Palla, F.; Rizzi, A.; Savoy-Navarro, A.; Spagnolo, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.] Ist Nazl Fis Nucl, Sez Pisa, Pisa, Italy.
[Martini, L.; Messineo, A.; Rizzi, A.; Tonelli, G.] Univ Pisa, Pisa, Italy.
[Donato, S.; Ligabue, F.] Scuola Normale Super Pisa, Pisa, Italy.
[Barone, L.; Cavallari, F.; D'imperioB, G.; Del Re, D.; Diemoz, M.; Gelli, S.; Jorda, C.; Longo, E.; Margaroli, F.; Meridiani, P.; Organtini, G.; Paramatti, R.; Preiato, F.; Rahatlou, S.; Rovelli, C.; Santanastasio, F.] Ist Nazl Fis Nucl, Sez Roma, Turin, Italy.
[Barone, L.; D'imperioB, G.; Del Re, D.; Gelli, S.; Longo, E.; Margaroli, F.; Organtini, G.; Preiato, F.; Rahatlou, S.; Santanastasio, F.] Univ Roma, Turin, Italy.
[Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Bartosik, N.; Bellan, R.; Biino, C.; Cartiglia, N.; Costa, M.; Covarelli, R.; Degano, A.; Demaria, N.; Finco, L.; Kiani, B.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Monteil, E.; Obertino, M. M.; Pacher, L.; Pastrone, N.; Pelliccioni, M.; Angioni, G. L. Pinna; Ravera, F.; Romero, A.; Ruspa, M.; Sacchi, R.; Sola, V.; Solano, A.; Staiano, A.; Traczyk, P.] Ist Nazl Fis Nucl, Sez Torino, Turin, Italy.
[Amapane, N.; Argiro, S.; Bellan, R.; Costa, M.; Covarelli, R.; Degano, A.; Finco, L.; Kiani, B.; Migliore, E.; Monaco, V.; Monteil, E.; Obertino, M. M.; Pacher, L.; Angioni, G. L. Pinna; Ravera, F.; Romero, A.; Sacchi, R.; Solano, A.; Traczyk, P.] Univ Turin, Turin, Italy.
[Arcidiacono, R.; Arneodo, M.; Ruspa, M.] Univ Piemonte Orientale, Novara, Italy.
[Belforte, S.; Candelise, V.; Casarsa, M.; Cossutti, F.; Della Ricca, G.; La Licata, C.; Schizzi, A.; Zanetti, A.] Ist Nazl Fis Nucl, Sez Trieste, Trieste, Italy.
[Candelise, V.; Della Ricca, G.; La Licata, C.; Schizzi, A.] Univ Trieste, Trieste, Italy.
[Nam, S. K.] Kangwon Natl Univ, Chunchon, South Korea.
[Kim, D. H.; Kim, G. N.; Kim, M. S.; Kong, D. J.; Lee, S.; Lee, S. W.; Oh, Y. D.; Sakharov, A.; Son, D. C.; Yang, Y. C.] Kyungpook Natl Univ, Daegu, South Korea.
[Cifuentes, J. A. Brochero; Kim, H.; Kim, T. J.] Chonbuk Natl Univ, Jeonju, South Korea.
[Song, S.] Chonnam Natl Univ, Inst Univ & Elementary Particles, Kwangju, South Korea.
[Cho, S.; Choi, S.; Go, Y.; Gyun, D.; Hong, B.; Jo, Y.; Kim, Y.; Lee, B.; Lee, K.; Lee, K. S.; Lee, S.; Lim, J.; Park, S. K.; Roh, Y.] Korea Univ, Seoul, South Korea.
[Yoo, H. D.] Seoul Natl Univ, Seoul, South Korea.
[Choi, M.; Kim, H.; Kim, J. H.; Lee, J. S. H.; Park, I. C.; Ryu, G.; Ryu, M. S.] Univ Seoul, Seoul, South Korea.
[Choi, Y.; Goh, J.; Kim, D.; Kwon, E.; Lee, J.; Yu, I.] Sungkyunkwan Univ, Suwon, South Korea.
[Dudenas, V.; Juodagalvis, A.; Vaitkus, J.] Vilnius Univ, Vilnius, Lithuania.
[Ahmed, I.; Ibrahim, Z. A.; Komaragiri, J. R.; Ali, M. A. B. Md; Idris, F. Mohamad; Abdullah, W. A. T. Wan; Yusli, M. N.; Zolkapli, Z.] Univ Malaya, Natl Ctr Particle Phys, Kuala Lumpur, Malaysia.
[Linares, E. Casimiro; Castilla-Valdez, H.; De La Cruz-Burelo, E.; Heredia-De La Cruz, I.; Hernandez-Almada, A.; Lopez-Fernandez, R.; Mejia Guisao, J.; Sanchez-Hernandez, A.] Ctr Invest & Estudios Avanzados, IPN, Mexico City, DF, Mexico.
[Carrillo Moreno, S.; Vazquez Valencia, F.] Univ Iberoamer, Mexico City, DF, Mexico.
[Pedraza, I.; Salazar Ibarguen, H. A.; Uribe Estrada, C.] Benemerita Univ Autonoma Puebla, Puebla, Mexico.
[Morelos Pineda, A.] Univ Autonoma San Luis Potosi, San Luis Potosi, Mexico.
[Krofcheck, D.] Univ Auckland, Auckland, New Zealand.
[Butler, P. H.] Univ Canterbury, Christchurch, New Zealand.
[Ahmad, A.; Ahmad, M.; Hassan, Q.; Hoorani, H. R.; Khan, W. A.; Qazi, S.; Shoaib, M.; Waqas, M.] Quaid I Azam Univ, Natl Ctr Phys, Islamabad, Pakistan.
[Bialkowska, H.; Bluj, M.; Boimska, B.; Frueboes, T.; Gorski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.] Natl Ctr Nucl Res, Otwock, Poland.
[Zalewski, P.; Brona, G.; Bunkowski, K.; Byszuk, A.; Doroba, K.; Kalinowski, A.; Konecki, M.; Krolikowski, J.; Misiura, M.; Olszewski, M.; Walczak, M.] Univ Warsaw, Fac Phys, Inst Expt Phys, Warsaw, Poland.
[Bargassa, P.; Beirao Da Cruz E Silva, C.; Di Francesco, A.; Faccioli, P.; Parracho, P. G. Ferreira; Gallinaro, M.; Hollar, J.; Leonardo, N.; Iglesias, L. Lloret; Nemallapudi, M. V.; Nguyen, F.; Antunes, J. Rodrigues; Seixas, J.; Toldaiev, O.; Vadruccio, D.; Varela, J.; Vischia, P.] Lab Instrumentacao & Fis Expt Particulas, Lisbon, Portugal.
[Bunin, P.; Gavrilenko, M.; Golutvin, I.; Gorbunov, I.; Kamenev, A.; Karjavin, V.; Lanev, A.; Malakhov, A.; Matveev, V.; Moisenz, P.; Palichik, V.; Perelygin, V.; Savina, M.; Shmatov, S.; Shulha, S.; Skatchkov, N.; Smirnov, V.; Voytishin, N.; Zarubin, A.] Joint Inst Nucl Res, Dubna, Russia.
[Golovtsov, V.; Ivanov, Y.; Kim, V.; Kuznetsova, E.; Levchenko, P.; Murzin, V.; Oreshkin, V.; Smirnov, I.; Sulimov, V.; Uvarov, L.; Vavilov, S.; Vorobyev, A.] Petersburg Nucl Phys Inst, St Petersburg, Russia.
[Andreev, Yu.; Dermenev, A.; Gninenko, S.; Golubev, N.; Karneyeu, A.; Kirsanov, M.; Krasnikov, N.; Pashenkov, A.; Tlisov, D.; Toropin, A.] Inst Nucl Phys, Moscow, Russia.
[Epshteyn, V.; Gavrilov, V.; Lychkovskaya, N.; Popov, V.; Pozdnyakov, I.; Safronov, G.; Spiridonov, A.; Toms, M.; Vlasov, E.; Zhokin, A.] Inst Theoret & Expt Phys, Moscow, Russia.
[Danilov, M.; Markin, O.; Popova, E.; Rusinov, V.; Tarkovskii, E.; Andreev, V.] Natl Res Nucl Univ, Moscow Engn Phys Inst MEPhI, Moscow, Russia.
[Azarkin, M.; Dremin, I.; Kirakosyan, M.; Leonidov, A.; Mesyats, G.; Rusakov, S. V.] PN Lebedev Phys Inst, Moscow, Russia.
[Baskakov, A.; Belyaev, A.; Boos, E.; Dubinin, M.; Dudko, L.; Ershov, A.; Gribushin, A.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Miagkov, I.; Obraztsov, S.; Petrushanko, S.; Savrin, V.; Snigirev, A.] Lomonosov Moscow State Univ, Skobeltsyn Inst Nucl Phys, Moscow, Russia.
[Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Kachanov, V.; Kalinin, A.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Tourtchanovitch, L.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.] Inst High Energy Phys, State Res Ctr Russian Federat, Protvino, Russia.
[Adzic, P.; Cirkovic, P.; Devetak, D.; Milosevic, J.; Rekovic, V.] Univ Belgrade, Fac Phys, Belgrade, Serbia.
[Adzic, P.; Cirkovic, P.; Devetak, D.; Milosevic, J.; Rekovic, V.] Vinca Inst Nucl Sci, Belgrade, Serbia.
[Calvo, E.; Cerrada, M.; Chamizo Llatas, M.; Colino, N.; De La Cruz, B.; Delgado Peris, A.; Escalante Del Valle, A.; Fernandez Bedoya, C.; Fernandez Ramos, J. P.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Hernandez, J. M.; Josa, M. I.; Navarro De Martino, E.; Perez-Calero Yzquierdo, A.; Puerta Pelayo, J.; Quintario Olmeda, A.; Redondo, I.; Romero, L.; Soares, M. S.] Ctr Invest Energet Medioambient & Tecnol CIEMAT, Madrid, Spain.
[de Troconiz, J. F.; Missiroli, M.; Moran, D.] Univ Autonoma Madrid, Madrid, Spain.
[Cuevas, J.; Menendez, J. Fernandez; Folgueras, S.; Gonzalez Caballero, I.; Palencia Cortezon, E.; Vizan Garcia, J. M.] Univ Oviedo, Oviedo, Spain.
[Cabrillo, I. J.; Calderon, A.; Castieiras De Saa, J. R.; Curras, E.; Fernandez, M.; Garcia-Ferrero, J.; Gomez, G.; Lopez Virto, A.; Marco, J.; Marco, R.; Martinez Rivero, C.; Matorras, F.; Piedra Gomez, J.; Rodrigo, T.; Rodriguez-Marrero, A. Y.; Ruiz-Jimeno, A.; Scodellaro, L.; Trevisani, N.; Vila, I.; Cortabitarte, R. Vilar] Univ Cantabria, CSIC, Inst Fis Cantabaria IFCA, Santander, Spain.
[Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, P.; Ball, A. H.; Barney, D.; Benaglia, A.; Benhabib, L.; Berruti, G. M.; Bloch, P.; Bocci, A.; Bonato, A.; Botta, C.; Breuker, H.; Camporesi, T.; Castello, R.; Cepeda, M.; Cerminara, G.; D'Alfonso, M.; d'Enterria, D.; Dabrowski, A.; Daponte, V.; David, A.; De Gruttola, M.; De Guio, F.; De Roeck, A.; Di Marco, E.; Dobson, M.; Dordevic, M.; Dorney, B.; du Pree, T.; Duggan, D.; Dunser, M.; Dupont, N.; Fartoukh, S.; Franzoni, G.; Fulcher, J.; Funk, W.; Gigi, D.; Gill, K.; Girone, M.; Glege, F.; Guida, R.; Gundacker, S.; Guthoff, M.; Hammer, J.; Harris, P.; Hegeman, J.; Innocente, V.; Janot, P.; Kirschenmann, H.; Knunz, V.; Kortelainen, M. J.; Kousouris, K.; Lecoq, P.; Lourenco, C.; Lucchini, M. T.; Magini, N.; Malgeri, L.; Mannelli, M.; Martelli, A.; Masetti, L.; Meijers, F.; Mersi, S.; Meschi, E.; Moortgat, F.; Morovic, S.; Mulders, M.; Neugebauer, H.; Orfanelli, S.; Orsini, L.; Pape, L.; Perez, E.; Peruzzi, M.; Petrilli, A.; Petrucciani, G.; Pfeiffer, A.; Pierini, M.; Piparo, D.; Racz, A.; Reis, T.; Rolandi, G.; Rovere, M.; Ruan, M.; Sakulin, H.; Sauvan, J. B.; Schafer, C.; Schwick, C.; Seidel, M.; Sharma, A.; Silva, P.; Simon, M.; Sphicas, P.; Steggemann, J.; Stoye, M.; Takahashi, Y.; Treille, D.; Triossi, A.; Tsirou, A.; Veckalns, V.; Veres, G. I.; Wardle, N.; Wohri, H. K.; Zagozdzinska, A.; Zeuner, W. D.] CERN, European Org Nucl Res, Geneva, Switzerland.
[Elliott-Peisert, A.; Bertl, W.; Deiters, K.; Erdmann, W.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Kotlinski, D.; Langenegger, U.; Rohe, T.] Paul Scherrer Inst, Villigen, Switzerland.
[Casal, B.; Grab, C.; Mangano, B.; Starodumov, A.] Swiss Fed Inst Technol, Inst Particle Phys, Zurich, Switzerland.
[Aarrestad, T. K.; Amsler, C.; Caminada, L.; Canelli, M. F.; Chiochia, V.; De Cosa, A.; Galloni, C.; Hinzmann, A.; Hreus, T.; Kilminster, B.; Lange, C.; Ngadiuba, J.; Pinna, D.; Rauco, G.; Robmann, P.; Salerno, D.; Yang, Y.] Univ Zurich, Zurich, Switzerland.
[Chen, K. H.; Doan, T. H.; Jain, Sh.; Khurana, R.; Konyushikhin, M.; Kuo, C. M.; Lin, W.; Lu, Y. J.; Pozdnyakov, A.; Yu, S. S.] Natl Cent Univ, Chungli, Taiwan.
[Kumar, Arun; Chang, P.; Chang, Y. H.; Chang, Y. W.; Chao, Y.; Chen, K. F.; Chen, P. H.; Dietz, C.; Fiori, F.; Hou, W. -S.; Hsiung, Y.; Liu, Y. F.; Lu, R. -S.; Moya, M. Minano; Tsai, J. F.; Tzeng, Y. M.] Natl Taiwan Univ, Taipei, Taiwan.
[Asavapibhop, B.; Kovitanggoon, K.; Singh, G.; Srimanobhas, N.; Suwonjandee, N.] Chulalongkorn Univ, Fac Sci, Dept Phys, Bangkok, Thailand.
[Adiguzel, A.; Cerci, S.; Damarseckin, S.; Demiroglu, Z. S.; Dozen, C.; Dumanoglu, I.; Girgis, S.; Gokbulut, G.; Guler, Y.; Gurpinar, E.; Hos, I.; Kangal, E. E.; Topaksu, A. Kayis; Onengut, G.; Ozdemir, K.; Ozturk, S.; Tali, B.; Topakli, H.; Zorbilmez, C.] Cukurova Univ, Adana, Turkey.
[Bilin, B.; Bilmis, S.; Isildak, B.; Karapinar, G.; Yalvac, M.; Zeyrek, M.] Middle East Tech Univ, Dept Phys, Ankara, Turkey.
[Gulmez, E.; Kaya, M.; Kaya, O.; Yetkin, E. A.] Bogazici Univ, Istanbul, Turkey.
[Yetkin, T.; Cakir, A.; Cankocak, K.; Sen, S.] Istanbul Tech Univ, Istanbul, Turkey.
[Grynyov, B.] Natl Acad Sci Ukraine, Inst Scintillat Mat, Kharkov, Ukraine.
[Levchuk, L.; Sorokin, P.] Kharkov Inst Phys & Technol, Natl Sci Ctr, Kharkov, Ukraine.
[Aggleton, R.; Ball, F.; Beck, L.; Brooke, J. J.; Burns, D.; Clement, E.; Cussans, D.; Flacher, H.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Jacob, J.; Kreczko, L.; Lucas, C.; Meng, Z.; Newbold, D. M.; Paramesvaran, S.; Poll, A.; Sakuma, T.; El Nasr-Storey, S. Seif; Senkin, S.; Smith, D.; Smith, V. J.] Univ Bristol, Bristol, Avon, England.
[Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Calligaris, L.; Cieri, D.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Olaiya, E.; Petyt, D.; Shepherd-Themistocleous, C. H.; Thea, A.; Tomalin, I. R.; Williams, T.; Worm, S. D.] Rutherford Appleton Lab, Didcot, Oxon, England.
[Baber, M.; Bainbridge, R.; Buchmuller, O.; Bundock, A.; Burton, D.; Casasso, S.; Citron, M.; Colling, D.; Corpe, L.; Dauncey, P.; Davies, G.; De Wit, A.; Della Negra, M.; Dunne, P.; Elwood, A.; Futyan, D.; Haddad, Y.; Hall, G.; Iles, G.; Lane, R.; Lucas, R.; Lyons, L.; Magnan, A. -M.; Malik, S.; Mastrolorenzo, L.; Nash, J.; Nikitenko, A.; Pela, J.; Penning, B.; Pesaresi, M.; Raymond, D. M.; Richards, A.; Rose, A.; Seez, C.; Tapper, A.; Uchida, K.; Acosta, M. Vazquez; Virdee, T.; Zenz, S. C.] Imperial Coll, London, England.
[Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leslie, D.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.] Brunel Univ, Uxbridge, Middx, England.
[Borzou, A.; Call, K.; Dittmann, J.; Hatakeyama, K.; Liu, H.; Pastika, N.] Baylor Univ, Waco, TX 76798 USA.
[Charaf, O.; Cooper, S. I.; Henderson, C.; Rumerio, P.] Univ Alabama, Tuscaloosa, AL USA.
[Arcaro, D.; Avetisyan, A.; Bose, T.; Gastler, D.; Rankin, D.; Richardson, C.; Rohlf, J.; Sulak, L.; Zou, D.] Boston Univ, Boston, MA 02215 USA.
[Alimena, J.; Benelli, G.; Berry, E.; Cutts, D.; Ferapontov, A.; Garabedian, A.; Hakala, J.; Heintz, U.; Jesus, O.; Laird, E.; Landsberg, G.; Mao, Z.; Narain, M.; Piperov, S.; Sagir, S.; Syarif, R.] Brown Univ, Providence, RI 02912 USA.
[Breedon, R.; Breto, G.; Sanchez, M. Calderon De La Barca; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Erbacher, R.; Flores, C.; Funk, G.; Gardner, M.; Ko, W.; Lander, R.; Mclean, C.; Mulhearn, M.; Pellett, D.; Pilot, J.; Ricci-Tam, F.; Shalhout, S.; Smith, J.; Squires, M.; Stolp, D.; Tripathi, M.; Wilbur, S.; Yohay, R.] Univ Calif Davis, Davis, CA 95616 USA.
[Cousins, R.; Everaerts, P.; Florent, A.; Hauser, J.; Ignatenko, M.; Saltzberg, D.; Takasugi, E.; Valuev, V.; Weber, M.] Univ Calif Los Angeles, Los Angeles, CA USA.
[Burt, K.; Clare, R.; Ellison, J.; Gary, J. W.; Hanson, G.; Heilman, J.; Jandir, P.; Kennedy, E.; Lacroix, F.; Long, O. R.; Malberti, M.; Negrete, M. Olmedo; Paneva, M. I.; Shrinivas, A.; Wei, H.; Wimpenny, S.; Yates, B. R.] Univ Calif Riverside, Riverside, CA 92521 USA.
[Branson, J. G.; Cerati, G. B.; Cittolin, S.; D'Agnolo, R. T.; Derdzinski, M.; Gerosa, R.; Holzner, A.; Kelley, R.; Klein, D.; Letts, J.; Macneill, I.; Olivito, D.; Padhi, S.; Pieri, M.; Sani, M.; Sharma, V.; Simon, S.; Tadel, M.; Vartak, A.; Wasserbaech, S.; Welke, C.; Wood, J.; Wurthwein, F.; Yagil, A.; Della Porta, G. Zevi] Univ Calif San Diego, La Jolla, CA 92093 USA.
[Bradmiller-Feld, J.; Campagnari, C.; Dishaw, A.; Dutta, V.; Flowers, K.; Sevilla, M. Franco; Geffert, P.; George, C.; Golf, F.; Gouskos, L.; Gran, J.; Incandela, J.; Mccoll, N.; Mullin, S. D.; Richman, J.; Stuart, D.; Suarez, I.; West, C.; Yoo, J.] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA.
[Anderson, D.; Apresyan, A.; Bendavid, J.; Bornheim, A.; Bunn, J.; Chen, Y.; Duarte, J.; Mott, A.; Newman, H. B.; Pena, C.; Spiropulu, M.; Vlimant, J. R.; Xie, S.; Zhu, R. Y.] CALTECH, Pasadena, CA 91125 USA.
[Andrews, M. B.; Azzolini, V.; Calamba, A.; Carlson, B.; Ferguson, T.; Paulini, M.; Russ, J.; Sun, M.; Vogel, H.; Vorobiev, I.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA.
[Cumalat, J. P.; Ford, W. T.; Jensen, F.; Johnson, A.; Krohn, M.; Mulholland, T.; Stenson, K.; Wagner, S. R.] Univ Colorado, Boulder, CO 80309 USA.
[Alexander, J.; Chatterjee, A.; Chaves, J.; Chu, J.; Dittmer, S.; Eggert, N.; Mirman, N.; Kaufman, G. Nicolas; Patterson, J. R.; Rinkevicius, A.; Ryd, A.; Skinnari, L.; Soffi, L.; Sun, W.; Tan, S. M.; Teo, W. D.; Thom, J.; Thompson, J.; Tucker, J.; Weng, Y.; Winstrom, L.; Wittich, P.] Cornell Univ, Ithaca, NY USA.
[Abdullin, S.; Albrow, M.; Apollinari, G.; Banerjee, S.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Bolla, G.; Burkett, K.; Butler, J. N.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Cremonesi, M.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gottschalk, E.; Gray, L.; Green, D.; Grunendahl, S.; Gutsche, O.; Hare, D.; Harris, R. M.; Hasegawa, S.; Hirschauer, J.; Hu, Z.; Jayatilaka, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Klima, B.; Kreis, B.; Lammel, S.; Lewis, J.; Linacre, J.; Lincoln, D.; Lipton, R.; Liu, T.; De Sa, R. Lopes; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Maruyama, S.; Mason, D.; McBride, P.; Merkel, P.; Mrenna, S.; Nahn, S.; Newman-Holmes, C.; O'Dell, V.; Pedro, K.; Prokofyev, O.; Rakness, G.; Sexton-Kennedy, E.; Soha, A.; Spalding, W. J.; Spiegel, L.; Stoynev, S.; Strobbe, N.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vernieri, C.; Verzocchi, M.; Vidal, R.; Wang, M.; Weber, H. A.; Whitbeck, A.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
[Acosta, D.; Avery, P.; Bortignon, P.; Bourilkov, D.; Brinkerhoff, A.; Carnes, A.; Carver, M.; Curry, D.; Das, S.; Field, R. D.; Furic, I. K.; Konigsberg, J.; Korytov, A.; Kotov, K.; Ma, P.; Matchev, K.; Mei, H.; Milenovic, P.; Mitselmakher, G.; Rank, D.; Rossin, R.; Shchutska, L.; Sperka, D.; Terentyev, N.; Thomas, L.; Wang, J.; Wang, S.; Yelton, J.] Univ Florida, Gainesville, FL USA.
[Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.] Florida Int Univ, Miami, FL 33199 USA.
[Adams, J. R.; Adams, T.; Askew, A.; Bein, S.; Bochenek, J.; Diamond, B.; Haas, J.; Hagopian, S.; Hagopian, V.; Johnson, K. F.; Khatiwada, A.; Prosper, H.; Santra, A.; Weinberg, M.] Florida State Univ, Tallahassee, FL 32306 USA.
[Ackert, A.; Baarmand, M. M.; Hohlmann, M.; Kalakhety, H.; Noonan, D.; Roy, T.; Yumiceva, F.] Florida Inst Technol, Melbourne, FL 32901 USA.
[Bhopatkar, V.; Colafranceschi, S.; Adams, M. R.; Apanasevich, L.; Berry, D.; Betts, R. R.; Bucinskaite, I.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Kurt, P.; O'Brien, C.; Gonzalez, I. D. Sandoval; Turner, P.; Varelas, N.; Wu, Z.; Zakaria, M.; Zhang, J.] UIC, Chicago, IL USA.
[Bilki, B.; Clarida, W.; Dilsiz, K.; Durgut, S.; Gandrajula, R. P.; Haytmyradov, M.; Khristenko, V.; Merlo, J. -P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Onel, Y.; Ozok, F.; Penzo, A.; Snyder, C.; Tiras, E.; Wetzel, J.; Yi, K.] Univ Iowa, Iowa City, IA USA.
[Anderson, I.; Blumenfeld, B.; Cocoros, A.; Eminizer, N.; Fehling, D.; Feng, L.; Gritsan, A. V.; Maksimovic, P.; Osherson, M.; Roskes, J.; Sarica, U.; Swartz, M.; Xiao, M.; Xin, Y.; You, C.; Baringer, P.] Johns Hopkins Univ, Baltimore, MD USA.
[Bean, A.; Bruner, C.; Castle, J.; Kenny, R. P., III; Kropivnitskaya, A.; Majumder, D.; Malek, M.; Mcbrayer, W.; Murray, M.; Sanders, S.; Stringer, R.; Wang, Q.] Univ Kansas, Lawrence, KS 66045 USA.
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[Lange, D.; Rebassoo, F.; Wright, D.] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Anelli, C.; Baden, A.; Baron, O.; Belloni, A.; Calvert, B.; Eno, S. C.; Ferraioli, C.; Gomez, J. A.; Hadley, N. J.; Jabeen, S.; Kellogg, R. G.; Kolberg, T.; Kunkle, J.; Lu, Y.; Mignerey, A. C.; Shin, Y. H.; Skuja, A.; Tonjes, M. B.; Tonwar, S. C.] Univ Maryland, College Pk, MD 20742 USA.
[Apyan, A.; Barbieri, R.; Baty, A.; Bi, R.; Bierwagen, K.; Brandt, S.; Busza, W.; Cali, I. A.; Demiragli, Z.; Di Matteo, L.; Ceballos, G. Gomez; Goncharov, M.; Gulhan, D.; Hsu, D.; Iiyama, Y.; Innocenti, G. M.; Klute, M.; Kovalskyi, D.; Krajczar, K.; Lai, Y. S.; Lee, Y. -J.; Levin, A.; Luckey, P. D.; Marini, A. C.; Mcginn, C.; Mironov, C.; Narayanan, S.; Niu, X.; Paus, C.; Roland, C.; Roland, G.; Salfeld-Nebgen, J.; Stephans, G. S. F.; Sumorok, K.; Tatar, K.; Varma, M.; Velicanu, D.; Veverka, J.; Wang, J.; Wang, T. W.; Wyslouch, B.; Yang, M.; Zhukova, V.] MIT, Cambridge, MA 02139 USA.
[Benvenuti, A. C.; Dahmes, B.; Evans, A.; Finkel, A.; Gude, A.; Hansen, P.; Kalafut, S.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Lesko, Z.; Mans, J.; Nourbakhsh, S.; Ruckstuhl, N.; Rusack, R.; Tambe, N.; Turkewitz, J.] Univ Minnesota, Minneapolis, MN USA.
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[Moon, C. S.] CNRS, IN2P3, Paris, France.
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Ain Shams Univ, Cairo, Egypt.
[Mahmoud, M. A.] Fayoum Univ, Al Fayyum, Egypt.
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[Agram, J. -L.; Conte, E.; Fontaine, J. -C.] Univ Haute Alsace, Mulhouse, France.
[Merlin, J. A.; Stahl, A.; Azzurri, P.; D'imperioB, G.; Del Re, D.; Arcidiacono, R.; Virdee, T.] CERN, European Org Nucl Res, Geneva, Switzerland.
[Popov, A.; Zhukov, V.] Lomonosov Moscow State Univ, Skobeltsyn Inst Nucl Phys, Moscow, Russia.
[Toriashvili, T.] Tbilisi State Univ, Tbilisi, Rep of Georgia.
Rhein Westfal TH Aachen, Inst Phys 3 A, Aachen, Germany.
Univ Hamburg, Hamburg, Germany.
Brandenburg Tech Univ Cottbus, Cottbus, Germany.
Inst Nucl Res ATOMKI, Debrecen, Hungary.
[Veres, G. I.] Eotvos Lorand Univ, MTA ELTE Lendulet CMS Particle & Nucl Phys Grp, Budapest, Hungary.
Univ Debrecen, Debrecen, Hungary.
Indian Inst Sci Educ & Res, Bhopal, India.
Visva Bharati Univ, Santini Ketan, W Bengal, India.
[Kangal, E. E.] King Abdulaziz Univ, Jeddah, Saudi Arabia.
Univ Ruhuna, Matara, Sri Lanka.
Isfahan Univ Technol, Esfahan, Iran.
[Topakli, H.] Univ Tehran, Dept Engn Sci, Tehran, Iran.
Islam Azad Univ, Sci & Res Branch, Plasma Phys Res Ctr, Tehran, Iran.
[Androsov, K.; Grippo, M. T.] Univ Siena, Siena, Italy.
[Savoy-Navarro, A.] Purdue Univ, W Lafayette, IN USA.
[Kim, T. J.] Hanyang Univ, Seoul, South Korea.
[Ali, M. A. B. Md] Int Islam Univ Malaysia, Kuala Lumpur, Malaysia.
[Idris, F. Mohamad] MOSTI, Malaysian Nucl Agcy, Kajang, Malaysia.
[Heredia-De La Cruz, I.] Consejo Nacl Ciencia & Technol, Mexico City, DF, Mexico.
[Byszuk, A.; Zagozdzinska, A.] Warsaw Univ Technol, Inst Elect Syst, Warsaw, Poland.
[Matveev, V.] Inst Nucl Res, Moscow, Russia.
[Matveev, V.; Azarkin, M.; Dremin, I.; Leonidov, A.] Natl Res Nucl Univ, Moscow Engn Phys Inst MEPhI, Moscow, Russia.
[Kim, V.; Kuznetsova, E.] St Petersburg State Polytechn Univ, St Petersburg, Russia.
Univ Florida, Gainesville, FL USA.
[Dubinin, M.] CALTECH, Pasadena, CA 91125 USA.
[Adzic, P.] Univ Belgrade, Fac Phys, Belgrade, Serbia.
Univ Roma, Ist Nazl Fis Nucl, Sez Roma, Rome, Italy.
Natl Tech Univ Athens, Athens, Greece.
Scuola Normale Sez INFN, Pisa, Italy.
[Sphicas, P.] Univ Athens, Athens, Greece.
[Veckalns, V.] Riga Tech Univ, Riga, Latvia.
[Starodumov, A.] Inst Theoret & Expt Phys, Moscow, Russia.
[Amsler, C.] Albert Einstein Ctr Fundamental Phys, Bern, Switzerland.
[Cerci, S.; Tali, B.] Adiyaman Univ, Adiyaman, Turkey.
[Kangal, E. E.] Mersin Univ, Mersin, Turkey.
[Onengut, G.] Cag Univ, Mersin, Turkey.
[Ozdemir, K.] Piri Reis Univ, Istanbul, Turkey.
[Ozturk, S.] Gaziosmanpasa Univ, Tokat, Turkey.
[Isildak, B.] Ozyegin Univ, Istanbul, Turkey.
[Karapinar, G.] Izmir Inst Technol, Izmir, Turkey.
[Kaya, M.] Marmara Univ, Istanbul, Turkey.
[Kaya, O.] Kafkas Univ, Kars, Turkey.
[Yetkin, E. A.; Kenny, R. P., III] Istanbul Bilgi Univ, Istanbul, Turkey.
Yildiz Tech Univ, Istanbul, Turkey.
[Sen, S.] Hacettepe Univ, Ankara, Turkey.
[Newbold, D. M.; Lucas, R.] Rutherford Appleton Lab, Didcot, Oxon, England.
[Belyaev, A.] Univ Southampton, Sch Phys & Astron, Southampton, Hants, England.
[Acosta, M. Vazquez] Inst Astrofis Canarias, San Cristobal la Laguna, Spain.
[Wasserbaech, S.] Utah Valley Univ, Orem, UT USA.
[Milenovic, P.] Univ Belgrade, Fac Phys, Belgrade, Serbia.
[Milenovic, P.] Vinca Inst Nucl Sci, Belgrade, Serbia.
Univ Roma, Fac Ingn, Rome, Italy.
[Bilki, B.] Argonne Natl Lab, Argonne, IL USA.
[Mermerkaya, H.] Erzincan Univ, Erzincan, Turkey.
Mimar Sinan Univ, Istanbul, Turkey.
[Bouhali, O.; Hernandez, A. Castaneda] Texas A&M Univ, Doha, Qatar.
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RP Khachatryan, V (reprint author), Yerevan Phys Inst, Yerevan, Armenia.
RI Goh, Junghwan/Q-3720-2016; Lokhtin, Igor/D-7004-2012; Della Ricca,
Giuseppe/B-6826-2013; Manganote, Edmilson/K-8251-2013; Konecki,
Marcin/G-4164-2015; Puljak, Ivica/D-8917-2017; Fernandez Menendez,
Javier/B-6550-2014; TUVE', Cristina/P-3933-2015
OI Goh, Junghwan/0000-0002-1129-2083; Della Ricca,
Giuseppe/0000-0003-2831-6982; Konecki, Marcin/0000-0001-9482-4841;
Fernandez Menendez, Javier/0000-0002-5213-3708; TUVE',
Cristina/0000-0003-0739-3153
FU Austrian Federal Ministry of Science, Research and Economy; Belgian
Fonds de la Recherche Scientifique, and Fonds voor Wetenschappelijk
Onderzoek; CNPq; CAPES; FAPERJ; FAPESP; Bulgarian Ministry of Education
and Science; CERN; Chinese Academy of Sciences; Colombian Funding Agency
(COLCIENCIAS); Croatian Ministry of Science, Education and Sport;
Research Promotion Foundation, Cyprus; Secretariat for Higher Education,
Science, Technology and Innovation, Ecuador; Ministry of Education and
Research, Estonian Research Council [IUT23-4, IUT23-6]; European
Regional Development Fund, Estonia; Academy of Finland, Finnish Ministry
of Education and Culture; Helsinki Institute of Physics; Institut
National de Physique Nucleaire et de Physique des Particules/CNRS;
Commissariat a l'Energie Atomique et aux Energies Alternatives/CEA,
France; Bundesministerium fur Bildung und Forschung; Deutsche
Forschungsgemeinschaft; Helmholtz-Gemeinschaft Deutscher
Forschungszentren, Germany; General Secretariat for Research and
Technology, Greece; National Scientific Research Foundation; National
Innovation Office, Hungary; Department of Atomic Energy; Department of
Science and Technology, India; Institute for Studies in Theoretical
Physics and Mathematics, Iran; Science Foundation, Ireland; Istituto
Nazionale di Fisica Nucleare, Italy; Ministry of Science, ICT and Future
Planning; National Research Foundation (NRF), Republic of Korea;
Lithuanian Academy of Sciences; Ministry of Education; University of
Malaya (Malaysia); BUAP; CINVESTAV; CONACYT; LNS; SEP; UASLP-FAI;
Ministry of Business, Innovation and Employment, New Zealand; Pakistan
Atomic Energy Commission; Ministry of Science and Higher Education;
National Science Centre, Poland; Fundacao para a Ciencia e a Tecnologia,
Portugal; JINR, Dubna; Ministry of Education and Science of the Russian
Federation; Federal Agency of Atomic Energy of the Russian Federation;
Russian Academy of Sciences; Russian Foundation for Basic Research;
Ministry of Education, Science and Technological Development of Serbia;
Secretaria de Estado de Investigacion, Desarrollo e Innovacion and
Programa Consolider-Ingenio, Spain; ETH Board; ETH Zurich; PSI; SNF;
UniZH; Canton Zurich; SER; Ministry of Science and Technology, Taipei;
Thailand Center of Excellence in Physics; Institute for the Promotion of
Teaching Science and Technology of Thailand; Special Task Force for
Activating Research; National Science and Technology Development Agency
of Thailand; Scientific and Technical Research Council of Turkey;
Turkish Atomic Energy Authority; National Academy of Sciences of
Ukraine; State Fund for Fundamental Researches, Ukraine; Science and
Technology Facilities Council, United Kingdom; U.S. Department of
Energy; U.S. National Science Foundation; Marie-Curie program; European
Research Council and EPLANET (European Union); Leventis Foundation; A.
P. Sloan Foundation; Alexander von Humboldt Foundation; Belgian Federal
Science Policy Office; Fonds pour la Formation a la Recherche dans
l'Industrie et dans l'Agriculture (FRIA-Belgium); Agentschap voor
Innovatie door Wetenschap en Technologie (IWT-Belgium); Ministry of
Education, Youth and Sports (MEYS) of Czech Republic; Council of Science
and Industrial Research, India; HOMING PLUS program of Foundation for
Polish Science; European Union, Regional Development Fund; Mobility Plus
program of Ministry of Science and Higher Education; OPUS program
[2014/13/B/ST2/02543]; Sonata-bis of National Science Center (Poland)
[DEC-2012/07/E/ST2/01406]; Thalis program; Aristeia program; EU-ESF;
Greek NSRF; National Priorities Research Program by Qatar National
Research Fund; Programa Clarin-COFUND del Principado de Asturias;
Rachadapisek Sompot Fund; Chulalongkorn University; Chulalongkorn
Academic into 2nd Century Project Advancement Project (Thailand); Welch
Foundation [C-1845]; Austrian Science Fund; Ministry of Science and
Technology; National Natural Science Foundation of China; Croatian
Science Foundation
FX We congratulate our colleagues in the CERN accelerator departments for
the excellent performance of the LHC and thank the technical and
administrative staffs at CERN and at other CMS institutes for their
contributions to the success of the CMS effort. In addition, we
gratefully acknowledge the computing centers and personnel of the
Worldwide LHC Computing Grid for delivering so effectively the computing
infrastructure essential to our analyses.; Finally, we acknowledge the
enduring support for the construction and operation of the LHC and the
CMS detector provided by the following funding agencies: the Austrian
Federal Ministry of Science, Research and Economy and the Austrian
Science Fund; the Belgian Fonds de la Recherche Scientifique, and Fonds
voor Wetenschappelijk Onderzoek; the Brazilian Funding Agencies (CNPq,
CAPES, FAPERJ, and FAPESP); the Bulgarian Ministry of Education and
Science; CERN; the Chinese Academy of Sciences, Ministry of Science and
Technology, and National Natural Science Foundation of China; the
Colombian Funding Agency (COLCIENCIAS); the Croatian Ministry of
Science, Education and Sport, and the Croatian Science Foundation; the
Research Promotion Foundation, Cyprus; the Secretariat for Higher
Education, Science, Technology and Innovation, Ecuador; the Ministry of
Education and Research, Estonian Research Council via IUT23-4 and
IUT23-6 and European Regional Development Fund, Estonia; the Academy of
Finland, Finnish Ministry of Education and Culture, and Helsinki
Institute of Physics; the Institut National de Physique Nucleaire et de
Physique des Particules/CNRS, and Commissariat a l'Energie Atomique et
aux Energies Alternatives/CEA, France; the Bundesministerium fur Bildung
und Forschung, Deutsche Forschungsgemeinschaft, and
Helmholtz-Gemeinschaft Deutscher Forschungszentren, Germany; the General
Secretariat for Research and Technology, Greece; the National Scientific
Research Foundation, and National Innovation Office, Hungary; the
Department of Atomic Energy and the Department of Science and
Technology, India; the Institute for Studies in Theoretical Physics and
Mathematics, Iran; the Science Foundation, Ireland; the Istituto
Nazionale di Fisica Nucleare, Italy; the Ministry of Science, ICT and
Future Planning, and National Research Foundation (NRF), Republic of
Korea; the Lithuanian Academy of Sciences; the Ministry of Education,
and University of Malaya (Malaysia); the Mexican Funding Agencies (BUAP,
CINVESTAV, CONACYT, LNS, SEP, and UASLP-FAI); the Ministry of Business,
Innovation and Employment, New Zealand; the Pakistan Atomic Energy
Commission; the Ministry of Science and Higher Education and the
National Science Centre, Poland; the Fundacao para a Ciencia e a
Tecnologia, Portugal; JINR, Dubna; the Ministry of Education and Science
of the Russian Federation, the Federal Agency of Atomic Energy of the
Russian Federation, Russian Academy of Sciences, and the Russian
Foundation for Basic Research; the Ministry of Education, Science and
Technological Development of Serbia; the Secretaria de Estado de
Investigacion, Desarrollo e Innovacion and Programa Consolider-Ingenio
2010, Spain; the Swiss Funding Agencies (ETH Board, ETH Zurich, PSI,
SNF, UniZH, Canton Zurich, and SER); the Ministry of Science and
Technology, Taipei; the Thailand Center of Excellence in Physics, the
Institute for the Promotion of Teaching Science and Technology of
Thailand, Special Task Force for Activating Research and the National
Science and Technology Development Agency of Thailand; the Scientific
and Technical Research Council of Turkey, and Turkish Atomic Energy
Authority; the National Academy of Sciences of Ukraine, and State Fund
for Fundamental Researches, Ukraine; the Science and Technology
Facilities Council, United Kingdom; the U.S. Department of Energy and
the U.S. National Science Foundation. Individuals have received support
from the Marie-Curie program and the European Research Council and
EPLANET (European Union); the Leventis Foundation; the A. P.; Sloan
Foundation; the Alexander von Humboldt Foundation; the Belgian Federal
Science Policy Office; the Fonds pour la Formation a la Recherche dans
l'Industrie et dans l'Agriculture (FRIA-Belgium); the Agentschap voor
Innovatie door Wetenschap en Technologie (IWT-Belgium); the Ministry of
Education, Youth and Sports (MEYS) of the Czech Republic; the Council of
Science and Industrial Research, India; the HOMING PLUS program of the
Foundation for Polish Science, cofinanced from European Union, Regional
Development Fund, the Mobility Plus program of the Ministry of Science
and Higher Education, the OPUS program Contract No. 2014/13/B/ST2/02543
and Contract No. Sonata-bis DEC-2012/07/E/ST2/01406 of the National
Science Center (Poland); the Thalis and Aristeia programs cofinanced by
EU-ESF and the Greek NSRF; the National Priorities Research Program by
Qatar National Research Fund; the Programa Clarin-COFUND del Principado
de Asturias; the Rachadapisek Sompot Fund for Postdoctoral Fellowship,
Chulalongkorn University and the Chulalongkorn Academic into Its 2nd
Century Project Advancement Project (Thailand); and the Welch
Foundation, Contract No. C-1845.
NR 79
TC 0
Z9 0
U1 38
U2 38
PU AMER PHYSICAL SOC
PI COLLEGE PK
PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
SN 2470-0010
EI 2470-0029
J9 PHYS REV D
JI Phys. Rev. D
PD DEC 29
PY 2016
VL 94
IS 11
AR 112009
DI 10.1103/PhysRevD.94.112009
PG 43
WC Astronomy & Astrophysics; Physics, Particles & Fields
SC Astronomy & Astrophysics; Physics
GA EG4LU
UT WOS:000391016600002
ER
PT J
AU Moult, I
Necib, L
Thaler, J
AF Moult, Ian
Necib, Lina
Thaler, Jesse
TI New angles on energy correlation functions
SO JOURNAL OF HIGH ENERGY PHYSICS
LA English
DT Article
DE Jets; QCD Phenomenology
ID PARTICLE MULTIPLICITY RATIOS; EVENT SHAPE DISTRIBUTIONS;
E+E-ANNIHILATION; JET SUBSTRUCTURE; QUARK JETS; AVERAGE MULTIPLICITIES;
QCD; GLUON; MOMENTS; FACTORIZATION
AB Jet substructure observables, designed to identify specific features within jets, play an essential role at the Large Hadron Collider (LHC), both for searching for signals beyond the Standard Model and for testing QCD in extreme phase space regions. In this paper, we systematically study the structure of infrared and collinear safe substructure observables, defining a generalization of the energy correlation functions to probe n-particle correlations within a jet. These generalized correlators provide a flexible basis for constructing new substructure observables optimized for specific purposes. Focusing on three major targets of the jet substructure community boosted top tagging, boosted W/Z/H tagging, and quark/gluon discrimination - we use power-counting techniques to identify three new series of powerful discriminants: M-i, N-i, and U-i. The Mi series is designed for use on groomed jets, providing a novel example of observables with improved discrimination power after the removal of soft radiation. The N-i series behave parametrically like the N-subjettiness ratio observables, but are defined without respect to subjet axes, exhibiting improved behavior in the unresolved limit. Finally, the U-i series improves quark/gluon discrimination by using higher-point correlators to simultaneously probe multiple emissions within a jet. Taken together, these observables broaden the scope for jet substructure studies at the LHC.
C1 [Moult, Ian] Univ Calif Berkeley, Berkeley Ctr Theoret Phys, Berkeley, CA 94720 USA.
[Moult, Ian] Lawrence Berkeley Natl Lab, Theoret Phys Grp, Berkeley, CA 94720 USA.
[Moult, Ian; Necib, Lina; Thaler, Jesse] MIT, Ctr Theoret Phys, Cambridge, MA 02139 USA.
RP Moult, I (reprint author), Univ Calif Berkeley, Berkeley Ctr Theoret Phys, Berkeley, CA 94720 USA.; Moult, I (reprint author), Lawrence Berkeley Natl Lab, Theoret Phys Grp, Berkeley, CA 94720 USA.; Moult, I (reprint author), MIT, Ctr Theoret Phys, Cambridge, MA 02139 USA.
EM ianmoult@lbl.gov; lnecib@mit.edu; jthaler@mit.edu
FU U.S. Department of Energy (DOE) [DE-SC0011090]; DOE [DE-SC-00012567,
DE-SC0015476]; Sloan Research Fellowship from the Alfred P. Sloan
Foundation; National Science Foundation [PHY-1066293]
FX We thank Philip Harris, Andrew Larkoski, Simone Marzani, Ben Nachmann,
Sid Narayanan, Duff Neill, Sal Rappoccio, and Nhan Tran for helpful
discussions, and we thank Matteo Cacciari, Gavin Salam, and Gregory
Soyez for help developing the EnergyCorrelator FASTJET CONTRIB. IM is
supported by the U.S. Department of Energy (DOE) under cooperative
research agreement DE-SC0011090. The work of LN and JT is supported by
the DOE under grant contract numbers DE-SC-00012567 and DE-SC0015476. JT
is also supported by a Sloan Research Fellowship from the Alfred P.
Sloan Foundation. This work was performed in part at the Aspen Center
for Physics, which is supported by National Science Foundation grant
PHY-1066293.
NR 212
TC 3
Z9 3
U1 0
U2 0
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1029-8479
J9 J HIGH ENERGY PHYS
JI J. High Energy Phys.
PD DEC 29
PY 2016
IS 12
AR 153
DI 10.1007/JHEP12(2016)153
PG 72
WC Physics, Particles & Fields
SC Physics
GA EG9QR
UT WOS:000391394900008
ER
PT J
AU Chaka, AM
AF Chaka, Anne M.
TI Ab Initio Thermodynamics and the Relationship between Octahedral
Distortion, Lattice Structure, and Proton Substitution Defects in
Malachite/Rosasite Group Endmember Pokrovskite Mg2CO3(OH)(2)
SO JOURNAL OF PHYSICAL CHEMISTRY A
LA English
DT Article
ID JANAF THERMOCHEMICAL TABLES; ROSASITE GROUP; INFRARED-SPECTROSCOPY;
CRYSTAL-STRUCTURE; 3RD EDITION; MINERALS; GLAUKOSPHAERITE; CHUKANOVITE;
PHASE; FE-2(CO3)(OH)(2)
AB Divalent metal hydroxycarbonates with M2CO3(OH)(2), stoichiometry are widely used in industry and are abundant in nature as the malachite/rosasite group of minerals. Essential to their performance as catalytic precursors and in nanoelectronics, these materials and minerals exhibit a high degree of cation ordering in mixed metal systems due to differences in distortion of the octahedral metal sites. Density-functional theory (DFT) calculations on pokrovskite Mg2CO3(OH)(2) in the rosasite structure and Mg analogues of monoclinic and orthorhombic forms of malachite determine that the octahedral sites are innately distorted, and that d(9) Cu(II) Jahn-Teller distortion accommodates this distortion rather than causes it, leading to the significant preference of Cu for the type I octahedral sites. This distortion also leads to a high propensity for formation of cation vacancies charge balanced by proton substitution. Ab initio thermodynamics is used to determine that there are conditions under which proton substitution defects are slightly more stable than the stoichiometric structure, consistent with the widespread observation of such defects in pokrovskite in nature. Pokrovskite itself is most likely to form under CO2-rich/low water conditions, particularly those utilizing supercritical CO2 for carbon sequestration and is sufficiently thermodynamically stable to trap CO2 under geological conditions. Low temperature and high water concentration promotes the formation of proton substitution defects, which has implications for synthesis of any material where octahedral strain may be relieved by proton substitution defects.
C1 [Chaka, Anne M.] Pacific Northwest Natl Lab, POB 999,MS K8-96, Richland, WA 99352 USA.
RP Chaka, AM (reprint author), Pacific Northwest Natl Lab, POB 999,MS K8-96, Richland, WA 99352 USA.
EM anne.chaka@pnnl.gov
FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences & Biosciences, Geosciences Research
Program; U.S. Department of Energy's Office of Biological and
Environmental Research at Pacific Northwest National Laboratory (PNNL)
FX This work was supported by the U.S. Department of Energy, Office of
Basic Energy Sciences, Division of Chemical Sciences, Geosciences &
Biosciences, the Geosciences Research Program. This research was
performed using the computing facilities at EMSL, a national scientific
user facility sponsored by the U.S. Department of Energy's Office of
Biological and Environmental Research and located at Pacific Northwest
National Laboratory (PNNL), and PNNL Institutional Computing. PNNL is a
multiprogram national laboratory operated for DOE by Battelle.
NR 55
TC 0
Z9 0
U1 8
U2 8
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1089-5639
J9 J PHYS CHEM A
JI J. Phys. Chem. A
PD DEC 29
PY 2016
VL 120
IS 51
BP 10181
EP 10195
DI 10.1021/acs.jpca.6b11969
PG 15
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA EG6MI
UT WOS:000391160200013
PM 27983854
ER
PT J
AU Atta-Fynn, R
Bylaska, EJ
de Jong, WA
AF Atta-Fynn, Raymond
Bylaska, Eric J.
de Jong, Wibe A.
TI Strengthening of the Coordination Shell by Counter Ions in Aqueous Th4+
Solutions
SO JOURNAL OF PHYSICAL CHEMISTRY A
LA English
DT Article
ID HYDROGEN-BOND DYNAMICS; MOLECULAR-DYNAMICS; LIQUID WATER; DENSITY
FUNCTIONALS; HYDRATION STRUCTURE; SIMULATIONS; THORIUM(IV); TH(IV);
SPECTROSCOPY; APPROXIMATION
AB The presence of counterions in solutions containing highly charged metal cations can trigger processes such as ion-pair formation, hydrogen bond breakages and subsequent re-formation, and ligand exchanges. In this work, it is shown how halide (Cl-, Br-) and perchlorate (ClO4-) anions affect the strength of the primary solvent coordination shells around Th4+ using explicit-solvent and finite-temperature ab initio molecular dynamics modeling methods. The 9-fold solvent geometry was found to be the most stable hydration structure in each aqueous solution. Relative to the dilute aqueous solution, the presence of the counterions did not significantly alter the geometry of the primary hydration shell. However, the free energy analyses indicated that the 10-fold hydrated states were thermodynamically accessible in dilute and bromide aqueous solutions within 1 kcal/mol. Analysis of the results showed that the hydrogen bond lifetimes were longer and solvent exchange energy barriers were larger in solutions with counterions in comparison with the solution with no counterions. This implies that the presence of the counterions induces a strengthening of the Th4+ hydration shell.
C1 [Atta-Fynn, Raymond] Univ Texas Arlington, Dept Phys, Arlington, TX 76006 USA.
[Bylaska, Eric J.] Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
[de Jong, Wibe A.] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
RP Atta-Fynn, R (reprint author), Univ Texas Arlington, Dept Phys, Arlington, TX 76006 USA.; Bylaska, EJ (reprint author), Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.; de Jong, WA (reprint author), Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
EM attafynn@uta.edu; eric.bylaska@pnnl.gov; WAdeJong@lbl.gov
RI Atta-Fynn, Raymond/G-1526-2016
OI Atta-Fynn, Raymond/0000-0002-1389-9540
FU U.S. Department of Energy's Office of Biological and Environmental
Research; DOE Office of Science User Facility [DE-AC05-00OR22725]; Heavy
Element Chemistry program of the BES Chemical Sciences, Geosciences, and
Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy;
EMSL; BES Geosciences program
FX This research was performed using the Molecular Science Computing
Capability in the William R. Wiley Environmental Molecular Science
Laboratory (EMSL), a national scientific user facility sponsored by the
U.S. Department of Energy's Office of Biological and Environmental
Research and located at the Pacific Northwest National Laboratory,
operated for the Department of Energy by Battelle. This research also
used the resources of the Texas Advanced Computing Center
(www.tacc.utexas.edu). Some of the calculations were performed using the
Oak Ridge Leadership Computing Facility, which is a DOE Office of
Science User Facility supported under Contract DE-AC05-00OR22725. An
award of computer time was provided by the Innovative and Novel
Computational Impact on Theory and Experiment (INCITE) program. This
work was supported by the Heavy Element Chemistry program of the BES
Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy
Sciences, U.S. Department of Energy. We thank Drs. Henry Moll, Ingmar
Grenthe, and Melissa Denecke for providing the experimental EXAFS data
for Th4+ in 1.5 M HClO4 solution. We also thank
EMSL and the BES Geosciences program for additional support in the
development of ab initio dynamics and free energy methods used in this
study.
NR 39
TC 0
Z9 0
U1 4
U2 4
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1089-5639
J9 J PHYS CHEM A
JI J. Phys. Chem. A
PD DEC 29
PY 2016
VL 120
IS 51
BP 10216
EP 10222
DI 10.1021/acs.jpca.6b09878
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA EG6MI
UT WOS:000391160200016
PM 27977185
ER
PT J
AU Peng, C
Calvin, JA
Pavosevic, F
Zhang, JM
Valeev, EF
AF Peng, Chong
Calvin, Justus A.
Pavosevic, Fabijan
Zhang, Jinmei
Valeev, Edward F.
TI Massively Parallel Implementation of Explicitly Correlated
Coupled-Cluster Singles and Doubles Using TiledArray Framework
SO JOURNAL OF PHYSICAL CHEMISTRY A
LA English
DT Article
ID ELECTRON CORRELATION METHODS; TENSOR CONTRACTION ENGINE;
DENSITY-FUNCTIONAL THEORY; CONFIGURATION-INTERACTION; MATRIX
MULTIPLICATION; QUANTUM-CHEMISTRY; EFFICIENT REFORMULATION; PERTURBATION
THEORIES; INTERACTION ENERGIES; CORRELATION CUSP
AB A new distributed-memory massively parallel implementation of standard and explicitly correlated (F12) coupled-cluster singles and doubles (CCSD) with canonical O(N-6) computational complexity is described. The implementation is based on the TiledArray tensor framework. Novel features of the implementation include (a) all data greater than O(N) is distributed in memory and (b) the mixed use of density fitting and integral-driven formulations that optionally allows to avoid storage of tensors with three and four unoccupied indices. Excellent strong scaling is demonstrated on a multicore shared-memory computer, a commodity distributed-memory computer, and a national-scale super-computer. The performance on a shared-memory computer is competitive with the popular CCSD implementations in ORCA and Psi4. Moreover, the CCSD performance on a commodity-size cluster significantly improves on the state-of-the-art package NWChem. The large-scale parallel explicitly correlated coupled-cluster implementation makes routine accurate estimation of the coupled-cluster basis set limit for molecules with 20 or more atoms. Thus, it can provide valuable benchmarks for the merging reduced-scaling coupled-cluster approaches. The new implementation allowed us to revisit the basis set limit for the CCSD contribution to the binding energy of pi-stacked uracil dimer, a challenging paradigm of pi-stacking interactions from the S66 benchmark database. The revised value for the CCSD correlation binding energy obtained with the help of quadruple-zeta CCSD computations, -8.30 +/- 0.02 kcal/mol, is significantly different from the S66 reference value, -8.50 kcal/mol, as well as other CBS limit estimates in the recent literature.
C1 [Peng, Chong; Calvin, Justus A.; Pavosevic, Fabijan; Zhang, Jinmei; Valeev, Edward F.] Virginia Tech, Dept Chem, Blacksburg, VA 24061 USA.
[Zhang, Jinmei] Lawrence Berkeley Natl Lab, Computat Res Div, One Cyclotron Rd, Berkeley, CA 94720 USA.
RP Valeev, EF (reprint author), Virginia Tech, Dept Chem, Blacksburg, VA 24061 USA.
EM valeev76@vt.edu
OI Valeyev, Eduard/0000-0001-9923-6256
FU U.S. National Science Foundation [CHE-1362655, ACI-1450262]; Camille and
Henry Dreyfus Foundation; Department of Energy Office of Science User
Facility [DE-AC02-06CH11357]
FX We would like to thank Dr. R. Harrison (Stony Brook) for his assistance
with computing the exact Hartree-Fock energies for uracil dimer, and for
the trailblazing development of MAD-World parallel runtime. We
acknowledge the support by the U.S. National Science Foundation (Awards
CHE-1362655 and ACI-1450262) and by the Camille and Henry Dreyfus
Foundation. We acknowledge the computer time provided by the Innovative
and Novel Computational Impact on Theory and Experiment program (Award
"Dynamic and Adaptive Parallel Programming for Exascale Research"). This
research used resources of the Argonne Leadership Computing Facility,
which is a Department of Energy Office of Science User Facility
supported under Contract DE-AC02-06CH11357. We also acknowledge Advanced
Research Computing at Virginia Tech (www.arc.vt.edu for providing
computational resources and technical support that have contributed to
the results reported within this paper.
NR 96
TC 0
Z9 0
U1 6
U2 6
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1089-5639
J9 J PHYS CHEM A
JI J. Phys. Chem. A
PD DEC 29
PY 2016
VL 120
IS 51
BP 10231
EP 10244
DI 10.1021/acs.jpca.6b10150
PG 14
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA EG6MI
UT WOS:000391160200018
PM 27966947
ER
PT J
AU Yanai, K
Ishimura, K
Nakayama, A
Schmidt, MW
Gordon, MS
Hasegawa, J
AF Yanai, Kazuma
Ishimura, Kazuya
Nakayama, Akira
Schmidt, Michael W.
Gordon, Mark S.
Hasegawa, Jun-ya
TI Electronic Polarization Effect of the Water Environment in
Charge-Separated Donor-Acceptor Systems: An Effective Fragment Potential
Model Study
SO JOURNAL OF PHYSICAL CHEMISTRY A
LA English
DT Article
ID PHOTOSYNTHETIC REACTION-CENTER; RHODOBACTER-SPHAEROIDES; EXCITED-STATES;
INTERMOLECULAR INTERACTIONS; RHODOPSEUDOMONAS-VIRIDIS; AQUEOUS-SOLUTION;
FORCE-FIELD; TIO2 FILMS; PROTEINS; ENERGY
AB The electronic polarization (POL) of the surrounding environment plays a crucial role in the energetics of charge-separated systems. Here, the mechanism of POL in charge-separated systems is studied using a combined quantum mechanical and effective fragment potential (QM/EFP) method. In particular, the POL effect caused by charge separation (CS) is investigated at the atomic level by decomposition into the POL at each polarizability point. The relevance of the electric field generated by the CS is analyzed in detail. The model systems investigated are Na+-Cl- and guanine thymine solvated in water. The dominant part of the POL arises from solvent molecules close to the donor (D) and acceptor (A) units. At short D-A distances, the electric field shows both positive and negative interferences. The former case enhances the POL energy. At longer distances, the interference is weakened, and the local electric field determines the POL energy.
C1 [Yanai, Kazuma; Nakayama, Akira; Hasegawa, Jun-ya] Hokkaido Univ, Inst Catalysis, Kita Ku, Kita 21 Nishi 10, Sapporo, Hokkaido 0010021, Japan.
[Ishimura, Kazuya] Inst Mol Sci, Dept Theoret & Computat Mol Sci, 38 Nishigo Naka, Okazaki, Aichi 4448585, Japan.
[Schmidt, Michael W.; Gordon, Mark S.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA.
[Schmidt, Michael W.; Gordon, Mark S.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
[Hasegawa, Jun-ya] JST CREST, 4-1-8 Honcho, Kawaguchi, Saitama 3320012, Japan.
RP Hasegawa, J (reprint author), Hokkaido Univ, Inst Catalysis, Kita Ku, Kita 21 Nishi 10, Sapporo, Hokkaido 0010021, Japan.
EM hasegawa@cat.hokudai.ac.jp
RI Nakayama, Akira/A-4299-2012;
OI Nakayama, Akira/0000-0002-7330-0317; Hasegawa,
Jun-ya/0000-0002-9700-3309
FU JST-CREST; JSPS KAKENHI [15H05805, 16H00952, 15K06563, 16K00175];
FLAGSHIP2020 (priority study 5) program from MEXT; US Air Force Office
of Scientific Research [FA9550-14-1-0306]
FX This work was financially supported by JST-CREST, JSPS KAKENHI (Grant
Number 15H05805, 16H00952, 15K06563, and 16K00175), and the FLAGSHIP2020
(priority study 5) program from MEXT. Part of the computations were
carried out at RCCS (Okazaki, Japan), ACCMS (Kyoto University), and RIIT
(Kyushu University). M.S.G. and M.W.S. acknowledge the support of the US
Air Force Office of Scientific Research, Award No. FA9550-14-1-0306.
NR 46
TC 0
Z9 0
U1 1
U2 1
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1089-5639
J9 J PHYS CHEM A
JI J. Phys. Chem. A
PD DEC 29
PY 2016
VL 120
IS 51
BP 10273
EP 10280
DI 10.1021/acs.jpca.6b10552
PG 8
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA EG6MI
UT WOS:000391160200022
PM 27966940
ER
PT J
AU Pelcher, KE
Milleville, CC
Wangoh, L
Cho, J
Sheng, A
Chauhan, S
Sfeir, MY
Piper, LFJ
Watson, DF
Banerjee, S
AF Pelcher, Kate E.
Milleville, Christopher C.
Wangoh, Linda
Cho, Junsang
Sheng, Aaron
Chauhan, Saurabh
Sfeir, Matthew Y.
Piper, Louis F. J.
Watson, David F.
Banerjee, Sarbajit
TI Programming Interfacial Energetic Offsets and Charge Transfer in
beta-Pb0.33V2O5/Quantum-Dot Heterostructures: Tuning Valence-Band Edges
to Overlap with Midgap States
SO JOURNAL OF PHYSICAL CHEMISTRY C
LA English
DT Article
ID SENSITIZED SOLAR-CELLS; CDSE QUANTUM DOTS; ELECTRON-TRANSFER;
SEMICONDUCTOR NANOCRYSTALS; NANOSCALE HETEROSTRUCTURES; GAP STATES;
NANOPARTICLES; ABSORPTION; TIO2; PHOTOVOLTAICS
AB Semiconductor heterostructures for solar energy conversion interface light-harvesting semiconductor nanoparticles with wide-band-gap semiconductors that serve as charge acceptors. In such heterostructures, the kinetics of charge separation depend on the thermodynamic driving force, which is dictated by energetic offsets across the interface. A recently developed promising platform interfaces semiconductor quantum dots (QDs) with ternary vanadium oxides that have characteristic midgap states situated between the valence and conduction bands. In this work, we have prepared CdS/beta-Pb0.33V2O5 heterostructures by both linker-assisted assembly and surface precipitation and contrasted these materials with CdSe/beta-Pb0.33V2O5 heterostructures prepared by the same methods. Increased valence-band (VB) edge onsets in X-ray photoelectron spectra for CdS/beta-Pb0.33V2O5 heterostructures relative to CdSe/beta-Pb-0.33V2O5 heterostructures suggest a positive shift in the VB edge potential and, therefore, an increased driving force for the photoinduced transfer of holes to the midgap state of beta-Pb0.33V2O5. This approach facilitates a ca. 0.40 eV decrease in the thermodynamic barrier for hole injection from the VB edge of QDs suggesting an important design parameter. Transient absorption spectroscopy experiments provide direct evidence of hole transfer from photoexcited CdS QDs to the midgap states of beta-Pb0.33V2O5 NWs, along with electron transfer into the conduction band of the,beta-Pb0.33V2O5 NWs. Hole transfer is substantially faster and occurs at <1-ps time scales, whereas completion of electron transfer requires 5-30 ps depending on the nature of the interface. The differentiated time scales of electron and hole transfer, which are furthermore tunable as a function of the mode of attachment of QDs to NWs, provide a vital design tool for designing architectures for solar energy conversion. More generally, the approach developed here suggests that interfacing semiconductor QDs with transition metal oxide NWs exhibiting intercalative midgap states yields a versatile platform wherein the thermodynamics and kinetics of charge transfer can be systematically modulated to improve the efficiency of charge separation across interfaces.
C1 [Pelcher, Kate E.; Cho, Junsang; Banerjee, Sarbajit] Texas A&M Univ, Dept Chem, College Stn, TX 77842 USA.
[Pelcher, Kate E.; Cho, Junsang; Banerjee, Sarbajit] Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77842 USA.
[Milleville, Christopher C.; Sheng, Aaron; Chauhan, Saurabh; Watson, David F.] SUNY Buffalo, Dept Chem, Buffalo, NY 14260 USA.
[Wangoh, Linda; Piper, Louis F. J.] Binghamton Univ, Dept Phys Appl Phys & Astron, Binghamton, NY 13902 USA.
[Sfeir, Matthew Y.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
RP Banerjee, S (reprint author), Texas A&M Univ, Dept Chem, College Stn, TX 77842 USA.; Banerjee, S (reprint author), Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77842 USA.; Watson, DF (reprint author), SUNY Buffalo, Dept Chem, Buffalo, NY 14260 USA.; Piper, LFJ (reprint author), Binghamton Univ, Dept Phys Appl Phys & Astron, Binghamton, NY 13902 USA.
EM lpiper@binghamton.edu; dwatson3@buffalo.edu; banerjee@chem.tamu.edu
FU Research Corporation for Science Advancement; National Science
Foundation under NSF [1627197, 1626967, 1627583]; American Chemical
Society Petroleum Research Fund (PRF) [52827-DNI10]; Center for
Functional Nanomaterials, a U.S. DOE Office of Science Facility at
Brookhaven National Laboratory [DE-SC0012704]
FX We acknowledge initial support from the Research Corporation for Science
Advancement through a Scialog Award. K.E.P., J.C., and S.B. acknowledge
partial support from the National Science Foundation under NSF Grant
1627197. C.C.M., A.S., S.C., and D.F.W. acknowledge partial support from
the National Science Foundation under NSF Grant 1626967. Acknowledgment
is made to the Donors of the American Chemical Society Petroleum
Research Fund (PRF#52827-DNI10) and the National Science Foundation
under NSF Grant 1627583 for support of the research at Binghamton
University. The authors thank Thomas O'Loughlin for assistance with
Raman studies. This research used resources of the Center for Functional
Nanomaterials, which is a U.S. DOE Office of Science Facility, at
Brookhaven National Laboratory under Contract DE-SC0012704.
NR 37
TC 0
Z9 0
U1 3
U2 3
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1932-7447
J9 J PHYS CHEM C
JI J. Phys. Chem. C
PD DEC 29
PY 2016
VL 120
IS 51
BP 28992
EP 29001
DI 10.1021/acs.jpcc.6b10863
PG 10
WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA EG6MK
UT WOS:000391160400011
ER
PT J
AU Kim, C
Yu, YS
Moyon, B
Sirisopanaporn, C
Richardson, TJ
Cabana, J
AF Kim, Chunjoong
Yu, Young-Sang
Moyon, Benjamin
Sirisopanaporn, Chutchamon
Richardson, Thomas J.
Cabana, Jordi
TI Visualization of the Phase Propagation within Carbon -Free Li4Ti5O12
Battery Electrodes
SO JOURNAL OF PHYSICAL CHEMISTRY C
LA English
DT Article
ID LITHIUM-ION BATTERIES; ELECTRICAL ENERGY-STORAGE; STATE-OF-CHARGE;
SPINEL LI4+XTI5O12; INSERTION; CELLS; ABSORPTION; ANODE; SPECTROSCOPY;
DIFFRACTION
AB The electrochemical reactions occurring in batteries involve the transport of ions and electrons among the electrodes, the electrolyte, and the current collector. In Li-ion battery electrodes, this dual functionality is attained with porous composite electrode structures that contain electronically conductive additives. Recently, the ability to extensively cycle composite electrodes of Li4Ti5O12 without any conductive additives generated questions about how these structures operate, the answers to which could be used to design architectures with other materials that reduce the amount of additives that do not directly store energy. Here, the changes occurring in carbon-free Li4Ti5O12 electrodes during lithiation were studied by a combination of ex situ and operando optical microscopy and microbeam X-ray absorption spectroscopy (mu-XAS). The measurements provide visualizations of the percolation of lithiated domains through the thick (similar to 40-mu m) structure after a depth of discharge of only 1%, followed by a second wave of propagation starting with regions in closest contact with the current collector and progressing toward regions in contact with the bulk electrode. These results emphasize the interplay between the electronic and ionic conductivities of the phases involved in a battery reaction and the formation of the phases in localized areas in the electrode architecture. They provide new insights that could be used to refine the design of these architectures to minimize transport limitations while maximizing energy density.
C1 [Kim, Chunjoong; Yu, Young-Sang; Cabana, Jordi] Univ Illinois, Dept Chem, Chicago, IL 60607 USA.
[Kim, Chunjoong; Yu, Young-Sang; Moyon, Benjamin; Sirisopanaporn, Chutchamon; Richardson, Thomas J.; Cabana, Jordi] Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
RP Cabana, J (reprint author), Univ Illinois, Dept Chem, Chicago, IL 60607 USA.; Cabana, J (reprint author), Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
EM jcabana@uic.edu
FU Energy Efficiency and Renewable Energy, Office of Vehicle Technologies,
of the U.S. Department of Energy [DE-AC02-05CH11231]; NorthEast Center
for Chemical Energy Storage, an Energy Frontier Research Center by the
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-SC0012583]
FX This work was supported by the Assistant Secretary for Energy Efficiency
and Renewable Energy, Office of Vehicle Technologies, of the U.S.
Department of Energy under Contract DE-AC02-05CH11231. Y.-S.Y. was
supported as part of the NorthEast Center for Chemical Energy Storage,
an Energy Frontier Research Center funded by the U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences, under Award
DE-SC0012583.
NR 56
TC 0
Z9 0
U1 18
U2 18
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1932-7447
J9 J PHYS CHEM C
JI J. Phys. Chem. C
PD DEC 29
PY 2016
VL 120
IS 51
BP 29030
EP 29038
DI 10.1021/acs.jpcc.6b11459
PG 9
WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA EG6MK
UT WOS:000391160400015
ER
PT J
AU Head, AR
Tsyshevsky, R
Trotochaud, L
Yu, Y
Kyhl, L
Karslioglu, O
Kuklja, MM
Bluhm, H
AF Head, Ashley R.
Tsyshevsky, Roman
Trotochaud, Lena
Yu, Yi
Kyhl, Line
Karslioglu, Osman
Kuklja, Maija M.
Bluhm, Hendrik
TI Adsorption of Dimethyl Methylphosphonate on MoO3: The Role of Oxygen
Vacancies
SO JOURNAL OF PHYSICAL CHEMISTRY C
LA English
DT Article
ID RAY PHOTOELECTRON-SPECTROSCOPY; TEMPERATURE-PROGRAMMED DESORPTION;
DENSITY-FUNCTIONAL THEORY; AGENT SIMULANT DMMP; AMBIENT-PRESSURE;
MOLYBDENUM OXIDE; METAL-OXIDES; THIN-FILMS; THERMAL-DECOMPOSITION;
ELECTRONIC-STRUCTURE
AB Dimethyl methylphosphonate (DMMP) is a common chemical warfare agent simulant and is widely used in adsorption studies. To further increase the understanding of DMMP interactions with metal oxides, ambient pressure X-ray photoelectron spectroscopy was used to study the adsorption of DMMP on MoO3, including the effects of oxygen vacancies, surface hydroxyl groups, and adsorbed molecular water. Density functional theory calculations were used to aid in the interpretation of the APXPS results. An inherent lack of Lewis acid metal sites results in weak interactions of DMMP with MoO3. Adsorption is enhanced by the presence of oxygen vacancies, hydroxyl groups, and molecular water on the MoO3 surface, as measured by photoelectron spectroscopy. Computational results agree with these findings and suggest the formation of methanol through several possible pathways, but all require a proton transferred from a hydroxyl group on the surface.
C1 [Head, Ashley R.; Trotochaud, Lena; Yu, Yi; Kyhl, Line; Karslioglu, Osman; Bluhm, Hendrik] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Tsyshevsky, Roman; Kuklja, Maija M.] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA.
[Yu, Yi] Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA.
[Kyhl, Line] Univ Aarhus, iNANO, DK-8000 Aarhus C, Denmark.
RP Bluhm, H (reprint author), Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.; Kuklja, MM (reprint author), Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA.
EM mkukla@nsf.gov; hbluhm@lbl.gov
OI Head, Ashley/0000-0001-8733-0165
FU Department of Defense [HDTRA11510005]; NSF XSEDE resources [DMR-130077];
DOE NERSC resources [DE-AC02-05CH11231]; Office of the Director of
National Science Foundation; Office of Science, Office of Basic Energy
Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; Danish
Research Council for Independent Research and Innovation Fund Denmark
FX This work was funded by the Department of Defense (Grant HDTRA11510005).
R.T. and M.M.K acknowledge support from NSF XSEDE resources (Grant
DMR-130077) and DOE NERSC resources (Contract DE-AC02-05CH11231) and
computational resources at the Maryland Advanced Research Computing
Center (MARCC). MMK is grateful to the Office of the Director of
National Science Foundation for support under the Independent Research
and Development program. Any appearance of findings, conclusions, or
recommendations expressed in this material are those of the authors and
do not necessarily reflect the views of NSF. The Advanced Light Source
is supported by the Director, Office of Science, Office of Basic Energy
Sciences, of the U.S. Department of Energy under Contract No.
DE-AC02-05CH11231. L.K. acknowledges support from the Danish Research
Council for Independent Research and Innovation Fund Denmark (under the
National Initiative for Advanced Graphene Coatings and Composites).
NR 88
TC 0
Z9 0
U1 12
U2 12
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1932-7447
J9 J PHYS CHEM C
JI J. Phys. Chem. C
PD DEC 29
PY 2016
VL 120
IS 51
BP 29077
EP 29088
DI 10.1021/acs.jpcc.6b07340
PG 12
WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA EG6MK
UT WOS:000391160400021
ER
PT J
AU Hou, BY
Kim, S
Kim, T
Park, C
Bahn, CB
Kim, J
Hong, SB
Lee, SY
Kim, JH
AF Hou, Binyang
Kim, Seunghyun
Kim, Taeho
Park, Changyong
Bahn, Chi Bum
Kim, Jongjin
Hong, Seungbum
Lee, Su Yong
Kim, Ji Hyun
TI Orientation-Dependent Hydration Structures at Yttria-Stabilized Cubic
Zirconia Surfaces
SO JOURNAL OF PHYSICAL CHEMISTRY C
LA English
DT Article
ID X-RAY REFLECTIVITY; NEUTRON-SCATTERING; WATER; SEGREGATION; ELECTROLYTE;
INTERFACES; RESOLUTION; OXIDE; ZRO2; DEGRADATION
AB Water interaction with surfaces is very important and plays key roles in many natural and technological processes. Because the experimental challenges that arise when studying the interaction water with specific crystalline surfaces, most studies on metal oxides have focused on powder samples, which averaged the interaction over different crystalline surfaces. As a result, studies on the crystal orientation-dependent interaction of water with metal oxides are rarely available in the literature. In this work, water adsorption at 8 mol % yttria-stabilized cubic single crystal zirconia (100) and (111) surfaces was studied in terms of interfacial hydration structures using high resolution X-ray reflectivity measurements. The interfacial electron density profiles derived from the structure factor analysis of the measured data show the existence of multiple layers of adsorbed water with additional peculiar metal adsorption near the oxide surfaces.Surface relaxation, depletion, and interaction between the adsorbed layers and bulk water are found to vary greatly between the two surfaces and are also different when compared to the previously studied (110) surface [Hou et al., Sci. Rep. 2016, 6, 27916]. The fractional ratio between chemisorbed and physisorbed water species were also quantitatively estimated, which turned out to vary dramatically from surface to surface. The result gives us a unique opportunity to reconsider the simplified 2:1 relation between chemisorption and physisorption, originally proposed by Morimoto et al. based on the adsorption isotherms of water on powder metal oxide samples.
C1 [Hou, Binyang; Park, Changyong] Carnegie Inst Sci, Geophys Lab, High Pressure Collaborat Access Team, Argonne, IL 60439 USA.
[Kim, Seunghyun; Kim, Taeho; Kim, Ji Hyun] Ulsan Natl Inst Sci & Technol, Sch Mech & Nucl Engn, Dept Nucl Sci & Engn, Ulsan 44919, South Korea.
[Bahn, Chi Bum] Pusan Natl Univ, Sch Mech Engn, Busan 46241, South Korea.
[Kim, Jongjin; Hong, Seungbum] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Hong, Seungbum] Korea Adv Inst Sci & Technol, Dept Mat Sci & Engn, Daejeon 34141, South Korea.
[Lee, Su Yong] Pohang Accelerator Lab, Pohang 37673, South Korea.
RP Hou, BY (reprint author), Carnegie Inst Sci, Geophys Lab, High Pressure Collaborat Access Team, Argonne, IL 60439 USA.; Kim, JH (reprint author), Ulsan Natl Inst Sci & Technol, Sch Mech & Nucl Engn, Dept Nucl Sci & Engn, Ulsan 44919, South Korea.
EM hou.binyang@gmail.com; kimjh@unist.ac.kr
RI Hong, Seungbum/B-7708-2009; Park, Changyong/A-8544-2008;
OI Hong, Seungbum/0000-0002-2667-1983; Park, Changyong/0000-0002-3363-5788;
Kim, Ji Hyun/0000-0002-3984-0686; Hou, Binyang/0000-0003-0535-7706
FU International Collaborative Energy Technology R&D Program of the Korea
Institute of Energy Technology Evaluation and Planning (KETEP) from the
Ministry of Trade Industry and Energy [20138530030010]; DOE-NNSA
[DE-NA0001974]; DOE-BES [DE-FG02-99ER45775]; DOE Office of Science by
Argonne National Laboratory [DE-AC02-06CH11357]
FX This work was supported by the International Collaborative Energy
Technology R&D Program (No. 20138530030010) of the Korea Institute of
Energy Technology Evaluation and Planning (KETEP), granted from the
Ministry of Trade Industry and Energy. B.H. and C.P. acknowledge support
from the High Pressure Collaborative Access Team (HPCAT), supported by
the DOE-NNSA under Award No. DE-NA0001974 and the DOE-BES under Award
No. DE-FG02-99ER45775. The authors acknowledge the use of beamtime at
beamlines 9C of the Pohang Light Source and 16-BM-D, 16-ID-D, and
33-BM-C of the Advanced Photon Source. The Advanced Photon Source is a
U.S. Department of Energy (DOE) Office of Science User Facility operated
for the DOE Office of Science by Argonne National Laboratory under
Contract No. DE-AC02-06CH11357. The authors thank Drs. P. Chow and Y.
Xiao, and Mr. C. Kenney-Benson at the HPCAT, Drs. E. Karapetrova and
C.M. Schlepuetz at Sector 33 of the APS, and Dr. Y. Kim at beamline 9C
of the PLS for their technical support.
NR 43
TC 0
Z9 0
U1 3
U2 3
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1932-7447
J9 J PHYS CHEM C
JI J. Phys. Chem. C
PD DEC 29
PY 2016
VL 120
IS 51
BP 29089
EP 29097
DI 10.1021/acs.jpcc.6b07550
PG 9
WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science,
Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA EG6MK
UT WOS:000391160400022
ER
EF