FN Thomson Reuters Web of Science™
VR 1.0
PT J
AU Oberhardt, MA
Zarecki, R
Reshef, L
Xia, FF
Duran-Frigola, M
Schreiber, R
Henry, CS
Ben-Tal, N
Dwyer, DJ
Gophna, U
Ruppin, E
AF Oberhardt, Matthew A.
Zarecki, Raphy
Reshef, Leah
Xia, Fangfang
Duran-Frigola, Miguel
Schreiber, Rachel
Henry, Christopher S.
Ben-Tal, Nir
Dwyer, Daniel J.
Gophna, Uri
Ruppin, Eytan
TI Systems-Wide Prediction of Enzyme Promiscuity Reveals a New Underground
Alternative Route for Pyridoxal 5'-Phosphate Production in E-coli
SO PLOS COMPUTATIONAL BIOLOGY
LA English
DT Article
ID BACILLUS-SUBTILIS; MULTICOPY SUPPRESSION; BIOSYNTHESIS; EVOLVABILITY;
EVOLUTION; PATHWAYS; GENES; K-12; RECONSTRUCTION; INFORMATION
AB Recent insights suggest that non-specific and/or promiscuous enzymes are common and active across life. Understanding the role of such enzymes is an important open question in biology. Here we develop a genome-wide method, PROPER, that uses a permissive PSI-BLAST approach to predict promiscuous activities of metabolic genes. Enzyme promiscuity is typically studied experimentally using multicopy suppression, in which over-expression of a promiscuous 'replacer' gene rescues lethality caused by inactivation of a 'target' gene. We use PROPER to predict multicopy suppression in Escherichia coli, achieving highly significant overlap with published cases (hypergeometric p = 4.4e-13). We then validate three novel predicted target-replacer gene pairs in new multicopy suppression experiments. We next go beyond PROPER and develop a network-based approach, GEM-PROPER, that integrates PROPER with genome-scale metabolic modeling to predict promiscuous replacements via alternative metabolic pathways. GEM-PROPER predicts a new indirect replacer (thiG) for an essential enzyme (pdxB) in production of pyridoxal 5'-phosphate (the active form of Vitamin B-6), which we validate experimentally via multicopy suppression. We perform a structural analysis of thiG to determine its potential promiscuous active site, which we validate experimentally by inactivating the pertaining residues and showing a loss of replacer activity. Thus, this study is a successful example where a computational investigation leads to a network-based identification of an indirect promiscuous replacement of a key metabolic enzyme, which would have been extremely difficult to identify directly.
C1 [Oberhardt, Matthew A.; Zarecki, Raphy; Ruppin, Eytan] Tel Aviv Univ, Sch Comp Sci, IL-69978 Tel Aviv, Israel.
[Oberhardt, Matthew A.; Zarecki, Raphy; Ruppin, Eytan] Tel Aviv Univ, Sackler Sch Med, IL-69978 Tel Aviv, Israel.
[Oberhardt, Matthew A.; Reshef, Leah; Schreiber, Rachel; Gophna, Uri] Tel Aviv Univ, Fac Life Sci, Dept Mol Microbiol & Biotechnol, IL-69978 Tel Aviv, Israel.
[Oberhardt, Matthew A.; Ruppin, Eytan] Univ Maryland, Dept Comp Sci, Ctr Bioinformat & Computat Biol, College Pk, MD 20742 USA.
[Xia, Fangfang; Henry, Christopher S.] Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Duran-Frigola, Miguel] Inst Res Biomed IRB Barcelona, Joint IRB BSC CRG Program Computat Biol, Barcelona, Spain.
[Ben-Tal, Nir] Tel Aviv Univ, George S Wise Fac Life Sci, Dept Biochem & Mol Biol, IL-69978 Tel Aviv, Israel.
[Dwyer, Daniel J.] Univ Maryland, Inst Phys Sci & Technol, Dept Cell Biol & Mol Genet, Dept Bioengn,Maryland Pathogen Res Inst, College Pk, MD 20742 USA.
RP Oberhardt, MA; Ruppin, E (reprint author), Tel Aviv Univ, Sch Comp Sci, IL-69978 Tel Aviv, Israel.; Oberhardt, MA; Ruppin, E (reprint author), Tel Aviv Univ, Sackler Sch Med, IL-69978 Tel Aviv, Israel.; Oberhardt, MA (reprint author), Tel Aviv Univ, Fac Life Sci, Dept Mol Microbiol & Biotechnol, IL-69978 Tel Aviv, Israel.; Oberhardt, MA; Ruppin, E (reprint author), Univ Maryland, Dept Comp Sci, Ctr Bioinformat & Computat Biol, College Pk, MD 20742 USA.
EM mattoby@gmail.com; ruppin@post.tau.ac.il
FU Whitaker Foundation (Whitaker International Scholars Program); Dan David
Fellowship; European Union FP7 INFECT project; ERA-Net Plant project;
I-CORE Program of the Planning and Budgeting Committee and The Israel
Science Foundation [41/11]; McDonnell foundation; German-Israeli Project
Cooperation (DIP); Spanish FPU grant [FPU_2013]; FEBS short term
fellowship of I-CORE Program of the Planning and Budgeting Committee and
The Israel Science Foundation [1775/12]
FX The funders had no role in study design, data collection and analysis,
decision to publish, or preparation of the manuscript. Funding agencies:
(MO) Whitaker Foundation (Whitaker International Scholars Program)
(http://www.whitaker.org/grants/fellows-scholars) (MO) Dan David
Fellowship (http://www.dandavidprize.org/scholarship-applications) (ER)
European Union FP7 INFECT project (http://www.fp7infect.eu/) ERA-Net
Plant project (http://www.erapg.org/publicpage.m?key=everyone&trail=/
everyone) ER) I-CORE Program of the Planning and Budgeting Committee and
The Israel Science Foundation (grant No 41/11) (www.i-core.org.il/ISF)
(UG) McDonnell foundation (https://www.jsmf.org/)(UG) German-Israeli
Project Cooperation (DIP)
(http://www.dfg.de/en/research_funding/programmes/international_cooperat
ion/german_israeli_cooperation/) (MD) Spanish FPU grant
(http://cepima.upc.edu/positions/FPU_2013) (MD) FEBS short term
fellowship
(http://www.febs.org/our-activities/fellowships/febs-shortterm-fellowshi
ps/guidelines-for-febs-short-termfellowships) (NBT) Grant No. 1775/12 of
the I-CORE Program of the Planning and Budgeting Committee and The
Israel Science Foundation
NR 41
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U1 3
U2 6
PU PUBLIC LIBRARY SCIENCE
PI SAN FRANCISCO
PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA
SN 1553-734X
EI 1553-7358
J9 PLOS COMPUT BIOL
JI PLoS Comput. Biol.
PD JAN
PY 2016
VL 12
IS 1
AR e1004705
DI 10.1371/journal.pcbi.1004705
PG 19
WC Biochemical Research Methods; Mathematical & Computational Biology
SC Biochemistry & Molecular Biology; Mathematical & Computational Biology
GA DC6YS
UT WOS:000369366100034
PM 26821166
ER
PT J
AU Pandrea, I
Xu, CL
Stock, JL
Frank, DN
Ma, DZ
Policicchio, BB
He, TY
Kristoff, J
Cornell, E
Haret-Richter, GS
Trichel, A
Ribeiro, RM
Tracy, R
Wilson, C
Landay, AL
Apetrei, C
AF Pandrea, Ivona
Xu, Cuiling
Stock, Jennifer L.
Frank, Daniel N.
Ma, Dongzhu
Policicchio, Benjamin B.
He, Tianyu
Kristoff, Jan
Cornell, Elaine
Haret-Richter, George S.
Trichel, Anita
Ribeiro, Ruy M.
Tracy, Russell
Wilson, Cara
Landay, Alan L.
Apetrei, Cristian
TI Antibiotic and Antiinflammatory Therapy Transiently Reduces Inflammation
and Hypercoagulation in Acutely SIV-Infected Pigtailed Macaques
SO PLOS PATHOGENS
LA English
DT Article
ID CD4(+) T-CELLS; AFRICAN-GREEN MONKEYS; CHRONIC HIV-INFECTION; SYSTEMIC
IMMUNE ACTIVATION; RIBOSOMAL-RNA GENES; MICROBIAL TRANSLOCATION;
ANTIRETROVIRAL THERAPY; NATURAL HOSTS; DISEASE PROGRESSION; VIRAL
REPLICATION
AB Increased chronic immune activation and inflammation are hallmarks of HIV/SIV infection and are highly correlated with progression to AIDS and development of non-AIDS comorbidities, such as hypercoagulability and cardiovascular disease. Intestinal dysfunction resulting in microbial translocation has been proposed as a lead cause of systemic immune activation and hypercoagulability in HIV/SIV infection. Our goal was to assess the biological and clinical impact of a therapeutic strategy designed to reduce microbial translocation through reduction of the microbial content of the intestine (Rifaximin-RFX) and of gut inflammation (Sulfasalazine-SFZ). RFX is an intraluminal antibiotic that was successfully used in patients with hepatic encephalopathy. SFZ is an antiinflammatory drug successfully used in patients with mild to moderate inflammatory bowel disease. Both these clinical conditions are associated with increased microbial translocation, similar to HIV-infected patients. Treatment was administered for 90 days to five acutely SIV-infected pigtailed macaques (PTMs) starting at the time of infection; seven untreated SIVsab-infected PTMs were used as controls. RFX+ SFZ were also administered for 90 days to three chronically SIVsab-infected PTMs. RFX+ SFZ administration during acute SIVsab infection of PTMs resulted in: significantly lower microbial translocation, lower systemic immune activation, lower viral replication, better preservation of mucosal CD4(+) T cells and significantly lower levels of hypercoagulation biomarkers. This effect was clear during the first 40 days of treatment and was lost during the last stages of treatment. Administration of RFX+SFZ to chronically SIVsab-infected PTMs had no discernible effect on infection. Our data thus indicate that early RFX+SFZ administration transiently improves the natural history of acute and postacute SIV infection, but has no effect during chronic infection.
C1 [Pandrea, Ivona; Xu, Cuiling; Stock, Jennifer L.; Ma, Dongzhu; Policicchio, Benjamin B.; He, Tianyu; Kristoff, Jan; Haret-Richter, George S.; Trichel, Anita; Apetrei, Cristian] Univ Pittsburgh, Ctr Vaccine Res, Pittsburgh, PA USA.
[Pandrea, Ivona] Univ Pittsburgh, Sch Med, Dept Pathol, Pittsburgh, PA USA.
[Frank, Daniel N.; Wilson, Cara] Univ Colorado, Dept Med, Aurora, CO USA.
[Ma, Dongzhu; Apetrei, Cristian] Univ Pittsburgh, Sch Med, Dept Microbiol & Mol Genet, Pittsburgh, PA USA.
[Cornell, Elaine; Tracy, Russell] Univ Vermont, Dept Pathol & Lab Med, Burlington, VT USA.
[Trichel, Anita] Univ Pittsburgh, Sch Med, Div Lab Anim Resources, Pittsburgh, PA USA.
[Ribeiro, Ruy M.] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM USA.
[Landay, Alan L.] Rush Univ, Med Ctr, Dept Immunol & Microbiol, Chicago, IL 60612 USA.
RP Pandrea, I (reprint author), Univ Pittsburgh, Ctr Vaccine Res, Pittsburgh, PA USA.; Pandrea, I (reprint author), Univ Pittsburgh, Sch Med, Dept Pathol, Pittsburgh, PA USA.
EM pandrea@pitt.edu
OI Ribeiro, Ruy/0000-0002-3988-8241
FU NIH/NIBHL/NCRR [RO1 HL117715, R01 RR025781]
FX This work was supported by NIH/NIBHL/NCRR grants RO1 HL117715 (IP) and
R01 RR025781 (CA and IP). The funders had no role in study design, data
collection and analysis, decision to publish, or preparation of the
manuscript.
NR 90
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U1 0
U2 1
PU PUBLIC LIBRARY SCIENCE
PI SAN FRANCISCO
PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA
SN 1553-7366
EI 1553-7374
J9 PLOS PATHOG
JI PLoS Pathog.
PD JAN
PY 2016
VL 12
IS 1
AR e1005384
DI 10.1371/journal.ppat.1005384
PG 26
WC Microbiology; Parasitology; Virology
SC Microbiology; Parasitology; Virology
GA DC7BX
UT WOS:000369374500038
PM 26764484
ER
PT J
AU Choi, MJ
Park, HK
Yun, GS
Nam, YB
Choe, GH
Lee, W
Jardin, S
AF Choi, M. J.
Park, H. K.
Yun, G. S.
Nam, Y. B.
Choe, G. H.
Lee, W.
Jardin, S.
TI Post calibration of the two-dimensional electron cyclotron emission
imaging instrument with electron temperature characteristics of the
magnetohydrodynamic instabilities
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
ID FLUCTUATION MEASUREMENTS; SAWTOOTH CRASHES; TOKAMAK PLASMAS; DENSITY
AB The electron cyclotron emission imaging (ECEI) instrument is widely used to study the local electron temperature (T-e) fluctuations by measuring the ECE intensity I-ECE proportional to T-e in tokamak plasmas. The ECEI measurement is often processed in a normalized fluctuation quantity against the time averaged value due to complication in absolute calibration. In this paper, the ECEI channels are relatively calibrated using the flat T-e assumption of the sawtooth crash or the tearing mode island and a proper extrapolation. The 2-D relatively calibrated electron temperature (T-e,T-rel) images are reconstructed and the displacement amplitude of the magnetohydrodynamic modes can be measured for the accurate quantitative growth analysis. (C) 2016 AIP Publishing LLC.
C1 [Choi, M. J.; Park, H. K.] Natl Fus Res Inst, Daejeon 34133, South Korea.
[Park, H. K.; Lee, W.] Ulsan Natl Inst Sci & Technol, Ulsan 689798, South Korea.
[Yun, G. S.; Nam, Y. B.; Choe, G. H.] Pohang Univ Sci & Technol, Pohang 790784, Gyeongbuk, South Korea.
[Jardin, S.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
RP Choi, MJ (reprint author), Natl Fus Res Inst, Daejeon 34133, South Korea.
EM mjchoi@nfri.re.kr
FU Korea Ministry of Science, ICT and Future Planning [OR1509]; NRF Korea
[NRF-2014M1A7A1A03029865, NRF-2014M1A7A1A03029881]; U.S. Department of
Energy [DE-AC02-09CH1146]; SciDAC Center for Extended MHD Modeling
FX This work is supported by Korea Ministry of Science, ICT and Future
Planning under Contract No. OR1509, NRF Korea under Grant Nos.
NRF-2014M1A7A1A03029865 and NRF-2014M1A7A1A03029881 and partially
supported by the U.S. Department of Energy under Award No.
DE-AC02-09CH1146 and the SciDAC Center for Extended MHD Modeling.
NR 33
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U1 2
U2 5
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD JAN
PY 2016
VL 87
IS 1
AR 013506
DI 10.1063/1.4940030
PG 8
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA DC7WH
UT WOS:000369430900020
PM 26827320
ER
PT J
AU Lee, JH
Tung, IC
Chang, SH
Bhattacharya, A
Fong, DD
Freeland, JW
Hong, H
AF Lee, J. H.
Tung, I. C.
Chang, S. -H.
Bhattacharya, A.
Fong, D. D.
Freeland, J. W.
Hong, Hawoong
TI In situ surface/interface x-ray diffractometer for oxide molecular beam
epitaxy
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
ID DIFFRACTION; GROWTH
AB In situ studies of oxide molecular beam epitaxy by synchrotron x-ray scattering has been made possible by upgrading an existing UHV/molecular beam epitaxy (MBE) six-circle diffractometer system. For oxide MBE growth, pure ozone delivery to the chamber has been made available, and several new deposition sources have been made available on a new 12 in. CF (ConFlat, a registered trademark of Varian, Inc.) flange. X-ray diffraction has been used as a major probe for film growth and structures for the system. In the original design, electron diffraction was intended for the secondary diagnostics available without the necessity of the x-ray and located at separate positions. Deposition of films was made possible at the two diagnostic positions. And, the aiming of the evaporation sources is fixed to the point between two locations. Ozone can be supplied through two separate nozzles for each location. Also two separate thickness monitors are installed. Additional features of the equipment are also presented together with the data taken during typical oxide film growth to illustrate the depth of information available via in situ x-ray techniques. (C) 2016 AIP Publishing LLC.
C1 [Lee, J. H.; Tung, I. C.; Freeland, J. W.; Hong, Hawoong] Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Tung, I. C.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA.
[Chang, S. -H.; Bhattacharya, A.; Fong, D. D.] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Lee, J. H.] Korean Atom Energy Res Inst, 111 Daedeok Daero,989 Beon Gil, Daejeon, South Korea.
[Chang, S. -H.] Pukyong Natl Univ, Dept Phys, 45 Yongso Ro, Busan, South Korea.
RP Hong, H (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM hhong@aps.anl.gov
RI Bhattacharya, Anand/G-1645-2011;
OI Bhattacharya, Anand/0000-0002-6839-6860; Tung,
I-Cheng/0000-0002-6093-1400
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Materials Sciences and Engineering Division; U.S. Department
of Energy, Office of Science, Office of Basic Energy Sciences
[DE-AC02-06CH11357]
FX The authors acknowledge discussions with D. G. Schlom, and S. A.
Chambers. S.H.C., A.B., and D.D.F. were supported by the U.S. Department
of Energy, Office of Science, Office of Basic Energy Sciences, Materials
Sciences and Engineering Division. Work performed at Argonne National
Laboratory, including 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.
NR 12
TC 1
Z9 1
U1 1
U2 9
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD JAN
PY 2016
VL 87
IS 1
AR 013901
DI 10.1063/1.4939100
PG 5
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA DC7WH
UT WOS:000369430900027
PM 26827327
ER
PT J
AU Mauro, NA
Vogt, AJ
Derendorf, KS
Johnson, ML
Rustan, GE
Quirinale, DG
Kreyssig, A
Lokshin, KA
Neuefeind, JC
An, K
Wang, XL
Goldman, AI
Egami, T
Kelton, KF
AF Mauro, N. A.
Vogt, A. J.
Derendorf, K. S.
Johnson, M. L.
Rustan, G. E.
Quirinale, D. G.
Kreyssig, A.
Lokshin, K. A.
Neuefeind, J. C.
An, Ke
Wang, Xun-Li
Goldman, A. I.
Egami, T.
Kelton, K. F.
TI Electrostatic levitation facility optimized for neutron diffraction
studies of high temperature liquids at a spallation neutron source
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
ID X-RAY-DIFFRACTION; MEDIUM-RANGE ORDER; METALLIC GLASSES; MELTS
AB Neutron diffraction studies of metallic liquids provide valuable information about inherent topological and chemical ordering on multiple length scales as well as insight into dynamical processes at the level of a few atoms. However, there exist very few facilities in the world that allow such studies to be made of reactive metallic liquids in a containerless environment, and these are designed for use at reactor-based neutron sources. We present an electrostatic levitation facility, NESL (for Neutron ElectroStatic Levitator), which takes advantage of the enhanced capabilities and increased neutron flux available at spallation neutron sources (SNSs). NESL enables high quality elastic and inelastic neutron scattering experiments to be made of reactive metallic and other liquids in the equilibrium and supercooled temperature regime. The apparatus is comprised of a high vacuum chamber, external and internal neutron collimation optics, and a sample exchange mechanism that allows up to 30 samples to be processed between chamber openings. Two heating lasers allow excellent sample temperature homogeneity, even for samples approaching 500 mg, and an automated temperature control system allows isothermal measurements to be conducted for times approaching 2 h in the liquid state, with variations in the average sample temperature of less than 0.5%. To demonstrate the capabilities of the facility for elastic scattering studies of liquids, a high quality total structure factor for Zr64Ni36 measured slightly above the liquidus temperature is presented from experiments conducted on the nanoscale-ordered materials diffractometer (NOMAD) beam line at the SNS after only 30 min of acquisition time for a small sample (similar to 100 mg). (C) 2016 AIP Publishing LLC.
C1 [Mauro, N. A.] North Cent Coll, Dept Phys, Naperville, IL 60540 USA.
[Vogt, A. J.] Oak Ridge Natl Lab, Instrument & Source Div, Oak Ridge, TN 37831 USA.
[Derendorf, K. S.] Washington Univ, Mech Engn & Mat Sci, St Louis, MO 63130 USA.
[Johnson, M. L.; Kelton, K. F.] Washington Univ, Dept Phys, 1 Brookings Dr, St Louis, MO 63130 USA.
[Johnson, M. L.; Kelton, K. F.] Washington Univ, Inst Mat Sci & Engn, 1 Brookings Dr, St Louis, MO 63130 USA.
[Rustan, G. E.; Quirinale, D. G.; Kreyssig, A.; Goldman, A. I.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.
[Kreyssig, A.] Ames Lab, Div Mat Sci & Engn, Ames, IA 50011 USA.
[Lokshin, K. A.; Egami, T.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[Lokshin, K. A.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA.
[Neuefeind, J. C.; An, Ke] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA.
[Wang, Xun-Li] City Univ Hong Kong, Dept Phys & Mat Sci, 83 Tat Chee Ave, Kowloon, Hong Kong, Peoples R China.
[Egami, T.] Univ Tennessee, Joint Inst Neutron Sci, Dept Phys & Astron, Knoxville, TN 37996 USA.
RP Mauro, NA (reprint author), North Cent Coll, Dept Phys, Naperville, IL 60540 USA.
EM namauro@noctrl.edu
RI An, Ke/G-5226-2011; Neuefeind, Joerg/D-9990-2015;
OI An, Ke/0000-0002-6093-429X; Neuefeind, Joerg/0000-0002-0563-1544;
Johnson, Mark/0000-0003-2022-9163; Wang, Xun-Li/0000-0003-4060-8777;
Vogt, Adam/0000-0002-8448-4588
FU National Science Foundation [DMR-0959465, DMR-1308099]; U.S. Department
of Energy, Office of Basic Energy Science, Division of Materials
Sciences and Engineering [DE-AC02-07CH11358]
FX The design, construction and testing of NESL were supported by the
National Science Foundation under Grant No. DMR-0959465. The work at
Iowa State University was supported by the National Science Foundation
under Grant No. DMR-1308099. A.K. acknowledges partial support from the
U.S. Department of Energy, Office of Basic Energy Science, Division of
Materials Sciences and Engineering under Contract No. DE-AC02-07CH11358.
Use of the Spallation Neutron Source at Oak Ridge National Laboratory
was supported by the U.S. Department of Energy, Office of Basic Energy
Sciences, Scientific User Facilities Division. Help from Tony Biondo,
Justin Carmichael, John Carruth, Cory Fletcher, Todd Hardt, Kenneth
Herwig, Denny Huelsman, Mark Loguillo, Mark Rennich, and Harley
Skorpenske is gratefully acknowledged. Any opinions, findings, and
conclusions or recommendations expressed in this material are those of
the author(s) and do not necessarily reflect the views of the NSF.
NR 34
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PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD JAN
PY 2016
VL 87
IS 1
AR 013904
DI 10.1063/1.4939194
PG 8
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA DC7WH
UT WOS:000369430900030
PM 26827330
ER
PT J
AU Shukla, RA
Achanta, VG
Dugad, SR
Freeman, J
Garde, CS
Gupta, SK
Khandekar, PD
Kurup, AM
Lokhandwala, SS
Los, S
Prabhu, SS
Rakshe, PS
AF Shukla, R. A.
Achanta, V. G.
Dugad, S. R.
Freeman, J.
Garde, C. S.
Gupta, S. K.
Khandekar, P. D.
Kurup, A. M.
Lokhandwala, S. S.
Los, S.
Prabhu, S. S.
Rakshe, P. S.
TI Multi-channel programmable power supply with temperature compensation
for silicon sensors
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
ID PET; PHOTOMULTIPLIER; STABILIZATION; GRAPES-3; GAIN
AB Silicon Photo-Multipliers (SiPMs) are increasingly becoming popular for discrete photon counting applications due to the wealth of advantages they offer over conventional photo-detectors such as photo-multiplier tubes and hybrid photo-diodes. SiPMs are used in variety of applications ranging from high energy physics and nuclear physics experiments to medical diagnostics. The gain of a SiPM is directly proportional to the difference between applied and breakdown voltage of the device. However, the breakdown voltage depends critically on the ambient temperature and has a large temperature co-efficient in the range of 40-60 mV/degrees C resulting in a typical gain variation of 3%-5%/degrees C [Dinu et al., in IEEE Nuclear Science Symposium, Medical Imaging Conference and 17th Room Temperature Semiconductor Detector Workshop (IEEE, 2010), p. 215]. We plan to use the SiPM as a replacement for PMT in the cosmic ray experiment (GRAPES-3) at Ooty [Gupta et al., Nucl. Instrum. Methods Phys. Res., Sect. A 540, 311 (2005)]. There the SiPMs will be operated in an outdoor environment subjected to temperature variation of about 15 degrees C over a day. A gain variation of more than 50% was observed for such large variations in the temperature. To stabilize the gain of the SiPM under such operating conditions, a low-cost, multi-channel programmable power supply (0-90 V) was designed that simultaneously provides the bias voltage to 16 SiPMs. The programmable power supply (PPS) was designed to automatically adjust the operating voltage for each channel with a built-in closed loop temperature feedback mechanism. The PPS provides bias voltage with a precision of 6mV and measures the load current with a precision of 1 nA. Using this PPS, a gain stability of 0.5% for SiPM (Hamamatsu, S10931-050P) has been demonstrated over a wide temperature range of 15 degrees C. The design methodology of the PPS system, its validation, and the results of the tests carried out on the SiPM is presented in this article. The proposed design also has the capability of gain stabilization of devices with non-linear thermal response. (C) 2016 AIP Publishing LLC.
C1 [Shukla, R. A.; Achanta, V. G.; Dugad, S. R.; Gupta, S. K.; Kurup, A. M.; Lokhandwala, S. S.; Prabhu, S. S.] Tata Inst Fundamental Res, Homi Bhabha Rd, Bombay 400005, Maharashtra, India.
[Freeman, J.; Los, S.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
[Garde, C. S.; Khandekar, P. D.; Rakshe, P. S.] Vishwakarma Inst Informat Technol, Pune 411048, Maharashtra, India.
[Gupta, S. K.; Rakshe, P. S.] Cosm Ray Lab, GRAPES Expt 3, Raj Bhavan 643001, Ooty, India.
RP Dugad, SR (reprint author), Tata Inst Fundamental Res, Homi Bhabha Rd, Bombay 400005, Maharashtra, India.
EM dugad@cern.ch
NR 19
TC 1
Z9 1
U1 2
U2 5
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD JAN
PY 2016
VL 87
IS 1
AR 015114
DI 10.1063/1.4940424
PG 8
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA DC7WH
UT WOS:000369430900060
PM 26827360
ER
PT J
AU Sjue, SKL
Mariam, FG
Merrill, FE
Morris, CL
Saunders, A
AF Sjue, S. K. L.
Mariam, F. G.
Merrill, F. E.
Morris, C. L.
Saunders, A.
TI High order magnetic optics for high dynamic range proton radiography at
a kinetic energy of 800 MeV
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
ID MULTIPLE COULOMB SCATTERING; MONTE-CARLO SIMULATIONS; CHARGED-PARTICLES;
COSY INFINITY
AB Flash radiography with 800 MeV kinetic energy protons at Los Alamos National Laboratory is an important experimental tool for investigations of dynamic material behavior driven by high explosives or pulsed power. The extraction of quantitative information about density fields in a dynamic experiment from proton generated images requires a high fidelity model of the proton imaging process. It is shown that accurate calculations of the transmission through the magnetic lens system require terms beyond second order for protons far from the tune energy. The approach used integrates the correlated multiple Coulomb scattering distribution simultaneously over the collimator and the image plane. Comparison with a series of static calibration images demonstrates the model's accurate reproduction of both the transmission and blur over a wide range of tune energies in an inverse identity lens that consists of four quadrupole electromagnets. (C) 2016 AIP Publishing LLC.
C1 [Sjue, S. K. L.; Mariam, F. G.; Merrill, F. E.; Morris, C. L.; Saunders, A.] Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA.
RP Sjue, SKL (reprint author), Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA.
EM sjue@lanl.gov
OI Morris, Christopher/0000-0003-2141-0255; Sjue, Sky/0000-0001-9458-1253
FU Advanced Radiography Science Campaign (C3) at Los Alamos National
Laboratory
FX Sky Sjue thanks John Zumbro for the original inspiration to learn how to
use COSY INFINITY, as well as Alexis E. Schach von Wittenau for some
illuminating comments. This work was supported by the Advanced
Radiography Science Campaign (C3) at Los Alamos National Laboratory.
NR 11
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 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD JAN
PY 2016
VL 87
IS 1
AR 015110
DI 10.1063/1.4939822
PG 7
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA DC7WH
UT WOS:000369430900056
PM 26827356
ER
PT J
AU Wang, CL
Riedel, RA
AF Wang, C. L.
Riedel, R. A.
TI Improved neutron-gamma discrimination for a Li-6-glass neutron detector
using digital signal analysis methods
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
ID PULSE-SHAPE DISCRIMINATION; SCINTILLATORS; EFFICIENCY; CAMERA
AB A Li-6-glass scintillator (GS20) based neutron Anger camera was developed for time-of-flight single-crystal diffraction instruments at Spallation Neutron Source. Traditional Pulse-Height Analysis (PHA) for Neutron-Gamma Discrimination (NGD) resulted in the neutron-gamma efficiency ratio (defined as NGD ratio) on the order of 10(4). The NGD ratios of Anger cameras need to be improved for broader applications including neutron reflectometers. For this purpose, six digital signal analysis methods of individual waveforms acquired from photomultiplier tubes were proposed using (i) charge integration, (ii) pulse-amplitude histograms, (iii) power spectrum analysis combined with the maximum pulse-amplitude, (iv) two event parameters (a(1), b(0)) obtained from a Wiener filter, (v) an effective amplitude (m) obtained from an adaptive least-mean-square filter, and (vi) a cross-correlation coefficient between individual and reference waveforms. The NGD ratios are about 70 times those from the traditional PHA method. Our results indicate the NGD capabilities of neutron Anger cameras based on GS20 scintillators can be significantly improved with digital signal analysis methods. (C) 2016 AIP Publishing LLC.
C1 [Wang, C. L.; Riedel, R. A.] Oak Ridge Natl Lab, Instrument & Source Div, Neutron Sci Directorate, Oak Ridge, TN 37831 USA.
RP Wang, CL (reprint author), Oak Ridge Natl Lab, Instrument & Source Div, Neutron Sci Directorate, Oak Ridge, TN 37831 USA.
EM wangc@ornl.gov
FU Scientific User Facilities Division, Office of Basic Energy Sciences, US
Department of Energy
FX We acknowledge discussion with K. W. Herwig, experimental help from C.
A. Montcalm and B. W. Hannan, and discussion with E. B. Iverson on fast
neutrons and high- energy background in the SNS. Critical comments from
the two referees are also acknowledged. This work was supported by the
Scientific User Facilities Division, Office of Basic Energy Sciences, US
Department of Energy.
NR 30
TC 0
Z9 0
U1 7
U2 14
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD JAN
PY 2016
VL 87
IS 1
AR 013301
DI 10.1063/1.4939821
PG 8
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA DC7WH
UT WOS:000369430900014
PM 26827314
ER
PT J
AU Maiti, A
AF Maiti, Amitesh
TI A geometry-based approach to determining time-temperature superposition
shifts in aging experiments
SO RHEOLOGICA ACTA
LA English
DT Article
DE Time-temperature superposition; Creep; Activation energy
ID COMPRESSION SET; RELAXATION; ALGORITHM; FORM
AB A powerful way to expand the time and frequency range of material properties is through a method called time-temperature superposition (TTS). Traditionally, TTS has been applied to the dynamical mechanical and flow properties of thermo-rheologically simple materials, where a well-defined master curve can be objectively and accurately obtained by appropriate shifts of curves at different temperatures. However, TTS analysis can also be useful in many other situations where there is scatter in the data and where the principle holds only approximately. In such cases, shifting curves can become a subjective exercise and can often lead to significant errors in the long-term prediction. This mandates the need for an objective method of determining TTS shifts. Here, we adopt a method based on minimizing the "arc length" of the master curve, which is designed to work in situations where there is overlapping data at successive temperatures. We examine the accuracy of the method as a function of increasing noise in the data, and explore the effectiveness of data smoothing prior to TTS shifting. We validate the method using existing experimental data on the creep strain of an aramid fiber and the powder coarsening of an energetic material.
C1 [Maiti, Amitesh] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Maiti, A (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
EM amaiti@llnl.gov
FU US Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]
FX This work was performed under the auspices of the US Department of
Energy by Lawrence Livermore National Laboratory under Contract
DE-AC52-07NA27344.
NR 23
TC 1
Z9 1
U1 2
U2 4
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0035-4511
EI 1435-1528
J9 RHEOL ACTA
JI Rheol. Acta
PD JAN
PY 2016
VL 55
IS 1
BP 83
EP 90
DI 10.1007/s00397-015-0898-z
PG 8
WC Mechanics
SC Mechanics
GA DC6FP
UT WOS:000369315500007
ER
PT J
AU Tulli, LG
Wang, WJ
Rullaud, V
Lindemann, WR
Kuzmenko, I
Vaknin, D
Shahgaldian, P
AF Tulli, Ludovico G.
Wang, Wenjie
Rullaud, Vanessa
Lindemann, William R.
Kuzmenko, Ivan
Vaknin, David
Shahgaldian, Patrick
TI Binding of calixarene-based Langmuir monolayers to mercury chloride is
dependent on the amphiphile structure
SO RSC ADVANCES
LA English
DT Article
ID AIR/WATER INTERFACE; WATER; IONS; COMPLEXATION; FLUORESCENT; MOLECULES;
CATIONS; ANION; FILMS; LEAD
AB Two amphiphilic calix[4]arenes bearing four dodecyl chains at the lower rim and two amino functions (vicinal and distal) at the para-phenolic positions have been synthesized. Surface-pressure versus molecular-area isotherms reveal that Langmuir monolayers of the two regioisomers show considerably distinct self-assembly behaviors at the air-water interface. Compression isotherms, Brewster angle microscopy and synchrotron-based X-ray near-total-reflection fluorescence, X-ray reflectivity and grazing incidence X-ray diffraction reveal that the monolayers of the two diamino calix[4] arene derivatives and those of their structural analogues bearing four amino moieties in para positions exhibit significant differences in their binding properties towards HgCl2 despite the structural and functional similarity among the macrocycles.
C1 [Tulli, Ludovico G.; Rullaud, Vanessa; Shahgaldian, Patrick] Univ Appl Sci & Arts Northwestern Switzerland, Sch Life Sci, Inst Chem & Bioanalyt, Grundenstr 40, CH-4132 Muttenz, Switzerland.
[Wang, Wenjie; Lindemann, William R.; Vaknin, David] Iowa State Univ, Dept Phys & Astron, Ames Lab, Ames, IA 50011 USA.
[Kuzmenko, Ivan] Argonne Natl Lab, Adv Photon Source, Lemont, IL USA.
[Rullaud, Vanessa] ZHAW Zurich Univ Appl Sci, Life Sci & Facil Management, Einsiedlerstr 31, CH-8820 Wadenswil, Switzerland.
RP Shahgaldian, P (reprint author), Univ Appl Sci & Arts Northwestern Switzerland, Sch Life Sci, Inst Chem & Bioanalyt, Grundenstr 40, CH-4132 Muttenz, Switzerland.
EM patrick.shahgaldian@.nw.ch
RI Vaknin, David/B-3302-2009;
OI Vaknin, David/0000-0002-0899-9248; Lindemann,
William/0000-0002-5967-3192
FU Swiss Nanoscience Institute (SNI); Swiss National Science Foundation
(SNSF) [CalixCargo 2]; Office of Basic Energy Sciences, U.S. Department
of Energy [DEAC02-07CH11358]; U.S. Department of Energy, Basic Energy
Sciences, Office of Science [DE-AC02-06CH11357]
FX The financial support from the Swiss Nanoscience Institute (SNI, grant
NanoMorph) and the Swiss National Science Foundation (SNSF, grant
CalixCargo 2) is gratefully acknowledged. The work at the Ames
Laboratory is supported by the Office of Basic Energy Sciences, U.S.
Department of Energy under Contract No DEAC02-07CH11358. X-ray
diffraction at the Advanced Photon Source is supported by the U.S.
Department of Energy, Basic Energy Sciences, Office of Science, under
Contract No. DE-AC02-06CH11357.
NR 35
TC 1
Z9 1
U1 4
U2 13
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 2016
VL 6
IS 11
BP 9278
EP 9285
DI 10.1039/c5ra25470a
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA DC9BQ
UT WOS:000369515900089
ER
PT J
AU Sun, C
Zhou, R
Jianan, E
Sun, JQ
Su, Y
Ren, HJ
AF Sun, Chao
Zhou, Rui
Jianan, E.
Sun, Jiaqiang
Su, Yu
Ren, Hejun
TI Ascorbic acid-coated Fe3O4 nanoparticles as a novel heterogeneous
catalyst of persulfate for improving the degradation of
2,4-dichlorophenol
SO RSC ADVANCES
LA English
DT Article
ID THERMALLY ACTIVATED PERSULFATE; IN-SITU REMEDIATION; ZERO-VALENT IRON;
AQUEOUS-SOLUTION; MAGNETIC NANOPARTICLES; ORGANIC POLLUTANTS; FERROUS
ION; HORSERADISH-PEROXIDASE; OXIDATIVE-DEGRADATION; INORGANIC RADICALS
AB Magnetic nanoscaled ascorbic acid/magnetite (H(2)A/Fe3O4) composite was prepared by oxidative polymerization and proposed as a novel heterogeneous catalyst of persulfate (PS) for improved degradation of 2,4-dichlorophenol (2,4-DCP). The composite was fully characterized and evaluated in terms of catalytic activity, effect of reaction parameters, iron ion leaching, and identification of primary reaction oxidants, as well as the possible role of H2A. The degradation efficiency of 2,4-DCP reached 98.5% within 150 min using the H(2)A/Fe3O4 nanocomposite compared with only 35.1% under the same conditions for pure nano Fe3O4. This result indicated an enhancement in the performance of activated PS. The findings of this study provide some new insights into the potential of using H(2)A to enhance the performance of Fe3O4 nanoparticles in the activation of PS for improving the degradation of organic pollutants.
C1 [Sun, Chao; Zhou, Rui; Jianan, E.; Sun, Jiaqiang; Su, Yu; Ren, Hejun] Jilin Univ, Coll Environm & Resources, Key Lab Groundwater Resources & Environm, Minist Educ, 2519 Jiefang Rd, Changchun 130021, Peoples R China.
[Zhou, Rui] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Ren, HJ (reprint author), Jilin Univ, Coll Environm & Resources, Key Lab Groundwater Resources & Environm, Minist Educ, 2519 Jiefang Rd, Changchun 130021, Peoples R China.
EM renhejun@jlu.edu.cn
FU National Natural Science Foundation of China [41302184]; Scientific
Frontier and Interdisciplinary Research Project of Jilin University;
Outstanding Youth Cultivation Plan of Jilin University; Promotion of
Innovation Ability of Beijing Municipal Universities Project by Beijing
Municipal Education Commission [TJSHG201310772028]; Graduate Innovation
Fund of Jilin University [2015112]; Key Laboratory of Groundwater
Resources and Environment of Ministry of Education (Jilin University)
FX This work is financially supported by the National Natural Science
Foundation of China (Grant No. 41302184), Scientific Frontier and
Interdisciplinary Research Project of Jilin University, Outstanding
Youth Cultivation Plan of Jilin University, Promotion of Innovation
Ability of Beijing Municipal Universities Project by Beijing Municipal
Education Commission (Grant No. TJSHG201310772028), and Graduate
Innovation Fund of Jilin University (Grant No. 2015112). Key Laboratory
of Groundwater Resources and Environment of Ministry of Education (Jilin
University) is acknowledged for providing support to the work.
NR 53
TC 2
Z9 2
U1 17
U2 51
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 2016
VL 6
IS 13
BP 10633
EP 10640
DI 10.1039/c5ra22491h
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA DC9JO
UT WOS:000369537900051
ER
PT J
AU Lin, L
Saad, Y
Yang, C
AF Lin, Lin
Saad, Yousef
Yang, Chao
TI Approximating Spectral Densities of Large Matrices
SO SIAM REVIEW
LA English
DT Article
DE spectral density; density of states; large scale sparse matrix;
approximation of distribution; quantum mechanics
ID MAXIMUM-ENTROPY APPROACH; OF-STATES; MOMENTS; EIGENVALUES; ALGORITHM;
RECURSION; SYSTEMS; BANDS
AB In physics, it is sometimes desirable to compute the so-called density of states (DOS), also known as the spectral density, of a real symmetric matrix A. The spectral density can be viewed as a probability density distribution that measures the likelihood of finding eigenvalues near some point on the real line. The most straightforward way to obtain this density is to compute all eigenvalues of A, but this approach is generally costly and wasteful, especially for matrices of large dimension. There exist alternative methods that allow us to estimate the spectral density function at much lower cost. The major computational cost of these methods is in multiplying A with a number of vectors, which makes them appealing for large-scale problems where products of the matrix A with arbitrary vectors are relatively inexpensive. This article defines the problem of estimating the spectral density carefully and discusses how to measure the accuracy of an approximate spectral density. It then surveys a few known methods for estimating the spectral density and considers variations of existing methods. All methods are discussed from a numerical linear algebra point of view.
C1 [Lin, Lin] Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA.
[Lin, Lin; Yang, Chao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
[Saad, Yousef] Univ Minnesota, Dept Comp Sci & Engn, St Paul, MN 55455 USA.
RP Lin, L (reprint author), Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA.; Lin, L; Yang, C (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.; Saad, Y (reprint author), Univ Minnesota, Dept Comp Sci & Engn, St Paul, MN 55455 USA.
EM linlin@math.berkeley.edu; saad@cs.umn.edu; cyang@lbl.gov
FU Laboratory Directed Research and Development Program of Lawrence
Berkeley National Laboratory under U.S. Department of Energy
[DE-AC02-05CH11231]; Scientific Discovery through the Advanced Computing
(SciDAC) program - U.S. Department of Energy, Office of Science,
Advanced Scientific Computing Research and Basic Energy Sciences
[DE-SC0008877]
FX The work of the first and third authors was partially supported by the
Laboratory Directed Research and Development Program of Lawrence
Berkeley National Laboratory under U.S. Department of Energy contract
DE-AC02-05CH11231. The work of the second and third authors was
partially supported by the Scientific Discovery through the Advanced
Computing (SciDAC) program funded by the U.S. Department of Energy,
Office of Science, Advanced Scientific Computing Research and Basic
Energy Sciences through grant DE-SC0008877.
NR 46
TC 5
Z9 5
U1 0
U2 2
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 0036-1445
EI 1095-7200
J9 SIAM REV
JI SIAM Rev.
PY 2016
VL 58
IS 1
BP 34
EP 65
DI 10.1137/130934283
PG 32
WC Mathematics, Applied
SC Mathematics
GA DD1WC
UT WOS:000369712500003
ER
PT J
AU Lam, AT
VanDelinder, V
Kabir, AMR
Hess, H
Bachand, GD
Kakugo, A
AF Lam, A. T.
VanDelinder, V.
Kabir, A. M. R.
Hess, H.
Bachand, G. D.
Kakugo, A.
TI Cytoskeletal motor-driven active self-assembly in in vitro systems
SO SOFT MATTER
LA English
DT Review
ID POWERED MICROTUBULE FILAMENTS; COUNTERCLOCKWISE MOTION; MOLECULAR
SHUTTLES; BIOMOLECULAR MOTOR; ORGANIZATION; KINESIN; TRANSPORT;
MOTILITY; LATTICE; FLUCTUATIONS
AB Molecular motor-driven self-assembly has been an active area of soft matter research for the past decade. Because molecular motors transform chemical energy into mechanical work, systems which employ molecular motors to drive self-assembly processes are able to overcome kinetic and thermodynamic limits on assembly time, size, complexity, and structure. Here, we review the progress in elucidating and demonstrating the rules and capabilities of motor-driven active self-assembly. We focus on the types of structures created and the degree of control realized over these structures, and discuss the next steps necessary to achieve the full potential of this assembly mode which complements robotic manipulation and passive self-assembly.
C1 [Lam, A. T.; Hess, H.] Columbia Univ, Dept Biomed Engn, 351 Engn Terrace,1210 Amsterdam Ave,MC 8904, New York, NY 10027 USA.
[VanDelinder, V.; Bachand, G. D.] Sandia Natl Labs, Nanosyst Synth Anal Dept, POB 5800, Albuquerque, NM 87185 USA.
[Kabir, A. M. R.; Kakugo, A.] Hokkaido Univ, Fac Sci, Sapporo, Hokkaido 0600810, Japan.
[Kakugo, A.] Hokkaido Univ, Grad Sch Chem Sci & Engn, Sapporo, Hokkaido 0600810, Japan.
RP Hess, H (reprint author), Columbia Univ, Dept Biomed Engn, 351 Engn Terrace,1210 Amsterdam Ave,MC 8904, New York, NY 10027 USA.; Bachand, GD (reprint author), Sandia Natl Labs, Nanosyst Synth Anal Dept, POB 5800, Albuquerque, NM 87185 USA.; Kakugo, A (reprint author), Hokkaido Univ, Fac Sci, Sapporo, Hokkaido 0600810, Japan.; Kakugo, A (reprint author), Hokkaido Univ, Grad Sch Chem Sci & Engn, Sapporo, Hokkaido 0600810, Japan.
EM hhess@columbia.edu; gdbacha@sandia.gov; kakugo@sci.hokudai.ac.jp
RI Hess, Henry/A-5224-2008;
OI Hess, Henry/0000-0002-5617-606X; Bachand, George/0000-0002-3169-9980
FU US Army Research Office [W911NF-13-1-0390]; U.S. Department of Energy,
Office of Basic Energy Sciences, Division of Materials Sciences and
Engineering (BES-MSE); U.S. Department of Energy's National Nuclear
Security Administration [DE-AC04-94AL85000]; Japan Society for the
Promotion of Science; Ministry of Education, Culture, Sports, Science,
and Technology of Japan [24104004, 24104001]
FX A. L. and H. H. gratefully acknowledge financial support from the US
Army Research Office under grant W911NF-13-1-0390. V. V. and G. D. B
gratefully acknowledge financial support by the U.S. Department of
Energy, Office of Basic Energy Sciences, Division of Materials Sciences
and Engineering (BES-MSE). 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. A. M. R. K. and A. K. gratefully acknowledge
the financial support from the Japan Society for the Promotion of
Science and the Ministry of Education, Culture, Sports, Science, and
Technology of Japan under Grant-in-Aid for Scientific Research on
Innovative Areas (grant number 24104004 and 24104001).
NR 62
TC 3
Z9 3
U1 4
U2 26
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1744-683X
EI 1744-6848
J9 SOFT MATTER
JI Soft Matter
PY 2016
VL 12
IS 4
BP 988
EP 997
DI 10.1039/c5sm02042e
PG 10
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA DD2JF
UT WOS:000369747900001
PM 26576824
ER
PT J
AU Martin, JE
Solis, KJ
AF Martin, James E.
Solis, Kyle J.
TI Creating orbiting vorticity vectors in magnetic particle suspensions
through field symmetry transitions-a route to multi-axis mixing
SO SOFT MATTER
LA English
DT Article
AB It has recently been reported that two types of triaxial electric or magnetic fields can drive vorticity in dielectric or magnetic particle suspensions, respectively. The first type-symmetry-breaking rational fields-consists of three mutually orthogonal fields, two alternating and one dc, and the second type-rational triads-consists of three mutually orthogonal alternating fields. In each case it can be shown through experiment and theory that the fluid vorticity vector is parallel to one of the three field components. For any given set of field frequencies this axis is invariant, but the sign and magnitude of the vorticity (at constant field strength) can be controlled by the phase angles of the alternating components and, at least for some symmetry-breaking rational fields, the direction of the dc field. In short, the locus of possible vorticity vectors is a 1-d set that is symmetric about zero and is along a field direction. In this paper we show that continuous, 3-d control of the vorticity vector is possible by progressively transitioning the field symmetry by applying a dc bias along one of the principal axes. Such biased rational triads are a combination of symmetry-breaking rational fields and rational triads. A surprising aspect of these transitions is that the locus of possible vorticity vectors for any given field bias is extremely complex, encompassing all three spatial dimensions. As a result, the evolution of a vorticity vector as the dc bias is increased is complex, with large components occurring along unexpected directions. More remarkable are the elaborate vorticity vector orbits that occur when one or more of the field frequencies are detuned. These orbits provide the basis for highly effective mixing strategies wherein the vorticity axis periodically explores a range of orientations and magnitudes.
C1 [Martin, James E.; Solis, Kyle J.] Sandia Natl Labs, Nanomat Sci, POB 5800, Albuquerque, NM 87185 USA.
RP Martin, JE (reprint author), Sandia Natl Labs, Nanomat Sci, POB 5800, Albuquerque, NM 87185 USA.
EM jmartin@sandia.gov
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; Jerry Simmons via the Laboratory-Directed Research
and Development (LDRD) office at Sandia National Laboratories
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. This work was
supported by Jerry Simmons via the Laboratory-Directed Research and
Development (LDRD) office at Sandia National Laboratories. We thank Matt
Groo at Novamet for supplying the magnetic platelets.
NR 15
TC 1
Z9 1
U1 1
U2 1
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1744-683X
EI 1744-6848
J9 SOFT MATTER
JI Soft Matter
PY 2016
VL 12
IS 4
BP 1021
EP 1031
DI 10.1039/c5sm01975c
PG 11
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA DD2JF
UT WOS:000369747900005
PM 26549438
ER
PT J
AU Sanghapi, HK
Ayyalasomayajula, KK
Yueh, FY
Singh, JP
McIntyre, DL
Jain, JC
Nakano, J
AF Sanghapi, Herve K.
Ayyalasomayajula, Krishna K.
Yueh, Fang Y.
Singh, Jagdish P.
McIntyre, Dustin L.
Jain, Jinesh C.
Nakano, Jinichiro
TI Analysis of slags using laser-induced breakdown spectroscopy
SO SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY
LA English
DT Article
DE LIBS; ICP-OES; Slag; Internal standard; Multivariate analysis-partial
least squares regression (PLS-R)
ID QUANTITATIVE ELEMENTAL ANALYSIS; OPTICAL-EMISSION SPECTROMETRY; STEEL;
FERROMANGANESE; METHODOLOGIES; BIOMASS; PLASMAS; MATRIX; CARBON
AB The feasibility of laser-induced breakdown spectroscopy (LIES) for the analysis of gasification slags was investigated by comparing LIES results to the results of an ICP-OES analyzer. A small amount of slag sample was placed on a piece of double sided adhesive tape attached to a glass microscope slide and analyzed for Al, Ca, Fe, Si, and V which are major elements found in slags. The partial least squares regression (PLS-R) and univariate simple linear regression (SLR) calibration methods indicated that apart from V (accuracy up to +20%) the accuracy of analysis varies within 035-6.5% for SIR and 0.06-10% for PLS-R. A paired-sample t-test within the 95% confidence level yielded p-values greater than 0.05, meaning no appreciable statistical difference was observed between the univariate SIR with internal standardization and the multivariate PLS-R for most of the analytes. From the results obtained in this work, LIES response varies depending on the element and the technique used for quantitative analysis. Simultaneous use of the univariate calibration curves with internal standard (intensity ratio) and PLS regression in multi elemental analysis can help reduce the matrix effect of slags associated to their high variation in concentration. Overall, these results demonstrate the capability of LIES as an alternative technique for analyzing gasification slags. Estimated limits of detection for Al, Ca, Fe, Si and V were 0.167, 0.78, 0.171, 0.243 and 0.01 wt.%, respectively. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Sanghapi, Herve K.; Ayyalasomayajula, Krishna K.; Yueh, Fang Y.; Singh, Jagdish P.] Mississippi State Univ, Inst Clean Energy Technol, Starkville, MS 39759 USA.
[Singh, Jagdish P.] King Saud Univ, Dept Phys, Riyadh, Saudi Arabia.
[McIntyre, Dustin L.; Jain, Jinesh C.; Nakano, Jinichiro] NETL, Pittsburgh, PA 15236 USA.
RP Singh, JP (reprint author), Mississippi State Univ, Inst Clean Energy Technol, Starkville, MS 39759 USA.
EM singh@icet.msstate.edu
FU U.S. Department of Energy
FX This research was supported in part by an appointment to the National
Energy Technology Laboratory Research Participation Program, sponsored
by the U.S. Department of Energy and administered by the Oak Ridge
Institute for Science and Education.
NR 29
TC 1
Z9 1
U1 6
U2 15
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 2016
VL 115
BP 40
EP 45
DI 10.1016/j.sab.2015.10.009
PG 6
WC Spectroscopy
SC Spectroscopy
GA DC4TO
UT WOS:000369213400006
ER
PT J
AU Ippolito, DL
AbdulHameed, MDM
Tawa, GJ
Baer, CE
Permenter, MG
McDyre, BC
Dennis, WE
Boyle, MH
Hobbs, CA
Streicker, MA
Snowden, BS
Lewis, JA
Wallqvist, A
Stallings, JD
AF Ippolito, Danielle L.
AbdulHameed, Mohamed Diwan M.
Tawa, Gregory J.
Baer, Christine E.
Permenter, Matthew G.
McDyre, Bonna C.
Dennis, William E.
Boyle, Molly H.
Hobbs, Cheryl A.
Streicker, Michael A.
Snowden, Bobbi S.
Lewis, John A.
Wallqvist, Anders
Stallings, Jonathan D.
TI Gene Expression Patterns Associated With Histopathology in Toxic Liver
Fibrosis
SO TOXICOLOGICAL SCIENCES
LA English
DT Article
DE toxic liver injury; transcriptomics; bioinformatics; fibrosis;
biomarkers; histopathology
ID HEPATIC STELLATE CELLS; DIBENZO-P-DIOXINS; CARBON-TETRACHLORIDE;
SUBCHRONIC/CHRONIC TOXICITY; GROWTH-FACTOR;
1,2,3,4,6,7,8-HEPTACHLORODIBENZO-P-DIOXIN HPCDD; CIRRHOTIC LIVER; LUNG
FIBROSIS; MOUSE MODEL; SHORT-TERM
AB Toxic industrial chemicals induce liver injury, which is difficult to diagnose without invasive procedures. Identifying indicators of end organ injury can complement exposure-based assays and improve predictive power. A multiplexed approach was used to experimentally evaluate a panel of 67 genes predicted to be associated with the fibrosis pathology by computationally mining DrugMatrix, a publicly available repository of gene microarray data. Five-day oral gavage studies in male Sprague Dawley rats dosed with varying concentrations of 3 fibrogenic compounds (allyl alcohol, carbon tetrachloride, and 4,4'-methylenedianiline) and 2 nonfibrogenic compounds (bromobenzene and dexamethasone) were conducted. Fibrosis was definitively diagnosed by histopathology. The 67-plex gene panel accurately diagnosed fibrosis in both microarray and multiplexed-gene expression assays. Necrosis and inflammatory infiltration were comorbid with fibrosis. ANOVA with contrasts identified that 51 of the 67 predicted genes were significantly associated with the fibrosis phenotype, with 24 of these specific to fibrosis alone. The protein product of the gene most strongly correlated with the fibrosis phenotype PCOLCE (Procollagen C-Endopeptidase Enhancer) was dose-dependently elevated in plasma from animals administered fibrogenic chemicals (P < .05). Semiquantitative global mass spectrometry analysis of the plasma identified an additional 5 protein products of the gene panel which increased after fibrogenic toxicant administration: fibronectin, ceruloplasmin, vitronectin, insulin-like growth factor binding protein, and alpha 2-macroglobulin. These results support the data mining approach for identifying gene and/or protein panels for assessing liver injury and may suggest bridging biomarkers for molecular mediators linked to histopathology.
C1 [Ippolito, Danielle L.; Dennis, William E.; Lewis, John A.; Stallings, Jonathan D.] USACEHR, Environm Hlth Program, Ft Detrick, MD 21702 USA.
[AbdulHameed, Mohamed Diwan M.; Tawa, Gregory J.; Wallqvist, Anders] US Army, Dept Def, Biotechnol High Performance Comp Software Applica, Telemed & Adv Technol Res Ctr,Med Res & Mat Comma, Ft Detrick, MD 21702 USA.
[Baer, Christine E.; Permenter, Matthew G.] Excet Inc, Frederick, MD 21702 USA.
[McDyre, Bonna C.] Oak Ridge Inst Sci & Educ, Frederick, MD 21702 USA.
[Boyle, Molly H.; Hobbs, Cheryl A.; Streicker, Michael A.] Integrated Syst Lab, Res Triangle Pk, NC 27709 USA.
[Snowden, Bobbi S.] Univ Maryland, Sch Publ Hlth, Maryland Inst Appl Environm Hlth, College Pk, MD 20742 USA.
[Tawa, Gregory J.] NIH, Translat Med Div, Bldg 10, Bethesda, MD 20892 USA.
RP Ippolito, DL (reprint author), US Army, Biomarkers Program, Ctr Environm Hlth Res, 568 Doughten Dr, Ft Detrick, MD 21702 USA.
EM Danielle.L.Ippolito2.civ@mail.mil
FU Military Operational Medicine Research Program; U.S. Army's Network
Science Initiative, U.S. Army Medical Research and Materiel Command,
Fort Detrick, Maryland; U.S. Department of Energy; U.S. Army Medical
Research and Materiel Command
FX The work was supported by the Military Operational Medicine Research
Program and the U.S. Army's Network Science Initiative, U.S. Army
Medical Research and Materiel Command, Fort Detrick, Maryland. This work
was also supported in part by an appointment at U.S. Army Center for
Environmental Health Research administered by Oak Ridge Institute for
Science and Education through an interagency agreement between U.S.
Department of Energy and U.S. Army Medical Research and Materiel Command
[B.C.M.].
NR 128
TC 3
Z9 3
U1 4
U2 5
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 1096-6080
EI 1096-0929
J9 TOXICOL SCI
JI Toxicol. Sci.
PD JAN
PY 2016
VL 149
IS 1
BP 67
EP 88
DI 10.1093/toxsci/kfv214
PG 22
WC Toxicology
SC Toxicology
GA DC5BA
UT WOS:000369233900007
PM 26396155
ER
PT J
AU Gray, LE
Furr, J
Tatum-Gibbs, KR
Lambright, C
Sampson, H
Hannas, BR
Wilson, VS
Hotchkiss, A
Foster, PMD
AF Gray, Leon Earl, Jr.
Furr, Johnathan
Tatum-Gibbs, Katoria R.
Lambright, Christy
Sampson, Hunter
Hannas, Bethany R.
Wilson, Vickie S.
Hotchkiss, Andrew
Foster, Paul M. D.
TI Establishing the "Biological Relevance" of Dipentyl Phthalate Reductions
in Fetal Rat Testosterone Production and Plasma and Testis Testosterone
Levels
SO TOXICOLOGICAL SCIENCES
LA English
DT Article
DE anti-androgen; risk assessment; fetal male rat endocrine; dipentyl
phthalate
ID MALE REPRODUCTIVE DEVELOPMENT; N-BUTYL PHTHALATE;
SEXUAL-DIFFERENTIATION; DI(N-BUTYL) PHTHALATE; IN-UTERO;
LUTEINIZING-HORMONE; RELATIVE POTENCY; LATE-GESTATION; EXPOSURE;
VINCLOZOLIN
AB Phthalate esters (PEs) constitute a large class of compounds that are used for many consumer product applications. Many of the C2-C7 di-ortho PEs reduce fetal testicular hormone and gene expression levels in rats resulting in adverse effects seen later in life but it appears that relatively large reductions in fetal testosterone (T) levels and testis gene expression may be required to adversely affect reproductive development (Hannas, B. R., Lambright, C. S., Furr, J., Evans, N., Foster, P. M., Gray, E. L., and Wilson, V. S. (2012). Genomic biomarkers of phthalate-induced male reproductive developmental toxicity: a targeted RT-PCR array approach for defining relative potency. Toxicol. Sci. 125, 544-557). The objectives of this study were (1) to model the relationships between changes in fetal male rat plasma testosterone (PT), T levels in the testis (TT), T production (PROD), and testis gene expression with the reproductive malformation rates, and (2) to quantify the "biologically relevant reductions" (BRRs) in fetal T necessary to induce adverse effects in the offspring. In the fetal experiment, Harlan Sprague-Dawley rats were dosed with dipentyl phthalate (DPeP) at 0, 11, 33, 100, and 300 mg/kg/day from gestational days (GD) 14-18 and fetal testicular T, PT levels, and T Prod and gene expression were assessed on GD 18. In the postnatal experiment, rats were dosed with DPeP from GD 8-18 and reproductive development was monitored through adulthood. The dose-response curves for TT levels (ED50 = 53 mg/kg) and T PROD (ED50 = 45 mg/kg) were similar, whereas PT was reduced at ED50 = 19 mg/kg. When the reductions in TPROD and Insl3 mRNA were compared with the postnatal effects of in utero DPeP, dose-related reproductive alterations were noted when T PROD and Insl3 mRNA were reduced by > 45% and 42%, respectively. The determination of BRR levels may enable risk assessors to utilize fetal endocrine data to help establish points of departure for quantitative risk assessments.
C1 [Gray, Leon Earl, Jr.; Furr, Johnathan; Tatum-Gibbs, Katoria R.; Lambright, Christy; Hannas, Bethany R.; Wilson, Vickie S.] US EPA, Reprod Toxicol Branch,Toxicol Assessment Div, Natl Hlth & Environm Effects Lab, Off Res & Dev, Res Triangle Pk, NC 27711 USA.
[Hotchkiss, Andrew] US EPA, NCEA, ORD, Washington, DC USA.
[Foster, Paul M. D.] NIEHS, Natl Toxicol Program, NIH, DHHS, Res Triangle Pk, NC 27709 USA.
[Sampson, Hunter] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA.
[Hannas, Bethany R.] Dow Chem Co USA, Toxicol & Environm Res & Consulting, Midland, MI 48674 USA.
RP Gray, LE (reprint author), US EPA, Reprod Toxicol Branch,Toxicol Assessment Div, Natl Hlth & Environm Effects Lab, Off Res & Dev, Res Triangle Pk, NC 27711 USA.
EM gray.earl@epa.gov
OI Wilson, Vickie/0000-0003-1661-8481; gray jr, leon
earl/0000-0002-1111-4754
FU NIH [NTP/NIEHS IA RW7592285501-1]
FX Supported in part by NIH NTP/NIEHS IA RW7592285501-1.
NR 31
TC 2
Z9 2
U1 5
U2 12
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 1096-6080
EI 1096-0929
J9 TOXICOL SCI
JI Toxicol. Sci.
PD JAN
PY 2016
VL 149
IS 1
BP 178
EP 191
DI 10.1093/toxsci/kfv224
PG 14
WC Toxicology
SC Toxicology
GA DC5BA
UT WOS:000369233900016
PM 26454885
ER
PT S
AU Bertin, A
Nogales, E
AF Bertin, Aurelie
Nogales, Eva
BE SanchezDiaz, A
Perez, P
TI Characterization of Septin Ultrastructure in Budding Yeast Using
Electron Tomography
SO YEAST CYTOKINESIS: METHODS AND PROTOCOLS
SE Methods in Molecular Biology
LA English
DT Article; Book Chapter
DE Septin; Budding yeast; Cytokinesis; Cryo-tomography; Image processing;
Cryo-sectioning
ID SACCHAROMYCES-CEREVISIAE; CELL CORTEX; ORGANIZATION; RING;
COMPARTMENTALIZATION; MICROSCOPY; DIFFUSION; CYCLE
AB Septins are essential for the completion of cytokinesis. In budding yeast, Saccharomyces cerevisiae, septins are located at the bud neck during mitosis and are closely connected to the inner plasma membrane. In vitro, yeast septins have been shown to self-assemble into a variety of filamentous structures, including rods, paired filaments, bundles, and rings (Bertin et al. Proc Natl Acad Sci U S A, 105(24): 8274-8279, 2008; Garcia et al. J Cell Biol, 195(6): 993-1004, 2011; Bertin et al. J Mol Biol, 404(4): 711-731, 2010). Using electron tomography of freeze-substituted sections and cryo-electron tomography of frozen sections, we determined the three-dimensional organization of the septin cytoskeleton in dividing budding yeast with molecular resolution (Bertin et al. Mol Biol Cell, 23(3): 423-432, 2012; Bertin and Nogales. Commun Integr Biol 5(5): 503-505, 2012). Here, we describe the detailed procedures used for our characterization of the septin cellular ultrastructure.
C1 [Bertin, Aurelie; Nogales, Eva] Univ Calif Berkeley, Dept Mol & Cell Biol, Biochem Biophys & Struct Biol Div, 229 Stanley Hall, Berkeley, CA 94720 USA.
[Bertin, Aurelie] Inst Curie, CNRS, UMR 168, F-75231 Paris, France.
[Nogales, Eva] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA.
[Nogales, Eva] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
RP Bertin, A (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, Biochem Biophys & Struct Biol Div, 229 Stanley Hall, Berkeley, CA 94720 USA.; Bertin, A (reprint author), Inst Curie, CNRS, UMR 168, F-75231 Paris, France.
FU Howard Hughes Medical Institute; NIGMS NIH HHS [R01 GM101314]
NR 19
TC 0
Z9 0
U1 0
U2 5
PU HUMANA PRESS INC
PI TOTOWA
PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA
SN 1064-3745
BN 978-1-4939-3145-3; 978-1-4939-3144-6
J9 METHODS MOL BIOL
JI Methods Mol. Biol.
PY 2016
VL 1369
BP 113
EP 123
DI 10.1007/978-1-4939-3145-3_9
D2 10.1007/978-1-4939-3145-3
PG 11
WC Biochemical Research Methods; Biochemistry & Molecular Biology; Cell
Biology; Mycology
SC Biochemistry & Molecular Biology; Cell Biology; Mycology
GA BE2EG
UT WOS:000369086500010
PM 26519309
ER
PT J
AU Kevan, S
AF Kevan, Steve
TI Understanding Heterogeneous Chemical Processes Using X-ray Techniques
SO ACCOUNTS OF CHEMICAL RESEARCH
LA English
DT Editorial Material
C1 [Kevan, Steve] Univ Oregon, Lawrence Berkeley Natl Lab, Eugene, OR 97403 USA.
RP Kevan, S (reprint author), Univ Oregon, Lawrence Berkeley Natl Lab, Eugene, OR 97403 USA.
OI Kevan, Stephen/0000-0002-4621-9142
NR 0
TC 0
Z9 0
U1 0
U2 3
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0001-4842
EI 1520-4898
J9 ACCOUNTS CHEM RES
JI Accounts Chem. Res.
PD JAN
PY 2016
VL 49
IS 1
BP 3
EP 3
DI 10.1021/acs.accounts.5b00542
PG 1
WC Chemistry, Multidisciplinary
SC Chemistry
GA DB5OS
UT WOS:000368564100002
PM 26781060
ER
PT J
AU Gessner, O
Guhr, M
AF Gessner, Oliver
Guehr, Markus
TI Monitoring Ultrafast Chemical Dynamics by Time-Domain X-ray Photo- and
Auger-Electron Spectroscopy
SO ACCOUNTS OF CHEMICAL RESEARCH
LA English
DT Review
ID EXCITED-STATE DYNAMICS; RESOLVED PHOTOELECTRON-SPECTROSCOPY;
ABSORPTION-SPECTROSCOPY; TIO2 FILMS; CONICAL INTERSECTIONS;
SYNCHROTRON-RADIATION; MOLECULAR-DYNAMICS; INJECTION DYNAMICS; CHARGE
DYNAMICS; SINGLET-STATES
AB The directed flow of charge and energy is at the heart of all chemical processes. Extraordinary efforts are underway to monitor and understand the concerted motion of electrons and nuclei with ever increasing spatial and temporal sensitivity. The element specificity, chemical sensitivity, and temporal resolution of ultrafast X-ray spectroscopy techniques hold great promise to provide new insight into the fundamental interactions underlying chemical dynamics in systems ranging from isolated molecules to application-like devices. Here, we focus on the potential of ultrafast X-ray spectroscopy techniques based on the detection of photo- and Auger electrons to provide new fundamental insight into photochemical processes of systems with various degrees of complexity.
Isolated nucleobases provide an excellent testing ground for our most fundamental understanding of intramolecular coupling between electrons and nuclei beyond the traditionally applied Born-Oppenheimer approximation. Ultrafast electronic relaxation dynamics enabled by the breakdown of this approximation is the major component of the nucleobase photoprotection mechanisms. Transient X-ray induced Auger electron spectroscopy on photoexcited thymine molecules provides atomic-site specific details of the extremely efficient coupling that converts potentially bond changing ultraviolet photon energy into benign heat. In particular, the time-dependent spectral shift of a specific Auger band is sensitive to the length of a single bond within the molecule. The X-ray induced Auger transients show evidence for an electronic transition out of the initially excited state within only similar to 200 fs in contrast to theoretically predicted picosecond population trapping behind a reaction barrier.
Photoinduced charge transfer dynamics between transition metal complexes and semiconductor nanostructures are of central importance for many emerging energy and climate relevant technologies. Numerous demonstrations of photovoltaic and photocatalytic activity have been performed based on the combination of strong light absorption in dye molecules with charge separation and transport in adjacent semiconductor nanostructures. However, a fundamental understanding of the enabling and limiting dynamics on critical atomic length- and time scales is often still lacking. Femtosecond time-resolved X-ray photoelectron spectroscopy is employed to gain a better understanding of a short-lived intermediate that may be linked to the unexpectedly limited performance of ZnO based dye-sensitized solar cells by delaying the generation of free charge carriers. The transient spectra strongly suggest that photoexcited dye molecules attached to ZnO nanocrystals inject their charges into the substrate within less than 1 ps but the electrons are then temporarily trapped at the surface of the semiconductor in direct vicinity of the injecting molecules. The experiments are extended to monitor the electronic response of the semiconductor substrate to the collective injection from a monolayer of dye molecules and the subsequent electron-ion recombination dynamics. The results indicate some qualitative similarities but quantitative differences between the recombination dynamics at molecule-semiconductor interfaces and previously studied bulk-surface electron-hole recombination dynamics in photoexcited semiconductors.
C1 [Gessner, Oliver] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Guehr, Markus] PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA.
[Guehr, Markus] Univ Potsdam, Inst Phys & Astron, D-14476 Potsdam, Germany.
RP Gessner, O (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
FU Department of Energy Office of Science Early Career Research Program;
Office of Science, Office of Basic Energy Sciences of the U.S.
Department of Energy [DE-AC02-05CH11231]
FX O.G. and M.G. were supported by the Department of Energy Office of
Science Early Career Research Program. Portions of this research were
carried out at the Linac Coherent Light Source (LCLS) at SLAC National
Accelerator Laboratory. LCLS is an Office of Science User Facility
operated for the U.S. Department of Energy Office of Science by Stanford
University. Experiments were also performed at beamline 11.0.2 of the
Advanced Light Source (ALS). ALS 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 57
TC 6
Z9 6
U1 20
U2 69
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0001-4842
EI 1520-4898
J9 ACCOUNTS CHEM RES
JI Accounts Chem. Res.
PD JAN
PY 2016
VL 49
IS 1
BP 138
EP 145
DI 10.1021/acs.accounts.5b00361
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA DB5OS
UT WOS:000368564100016
PM 26641490
ER
PT J
AU Biteen, JS
Blainey, PC
Cardon, ZG
Chun, MY
Church, GM
Dorrestein, PC
Fraser, SE
Gilbert, JA
Jansson, JK
Knight, R
Miller, JF
Ozcan, A
Prather, KA
Quake, SR
Ruby, EG
Silver, PA
Taha, S
van den Engh, G
Weiss, PS
Wong, GCL
Wright, AT
Young, TD
AF Biteen, Julie S.
Blainey, Paul C.
Cardon, Zoe G.
Chun, Miyoung
Church, George M.
Dorrestein, Pieter C.
Fraser, Scott E.
Gilbert, Jack A.
Jansson, Janet K.
Knight, Rob
Miller, Jeff F.
Ozcan, Aydogan
Prather, Kimberly A.
Quake, Stephen R.
Ruby, Edward G.
Silver, Pamela A.
Taha, Sharif
van den Engh, Ger
Weiss, Paul S.
Wong, Gerard C. L.
Wright, Aaron T.
Young, Thomas D.
TI Tools for the Microbiome: Nano and Beyond
SO ACS NANO
LA English
DT Article
ID SELF-ASSEMBLED MONOLAYERS; SEA SPRAY AEROSOL; PSEUDOMONAS-AERUGINOSA
BIOFILMS; AIRBORNE BACTERIAL COMMUNITIES; SCANNING-TUNNELING-MICROSCOPY;
IMAGING MASS-SPECTROMETRY; ATMOSPHERIC ICE NUCLEI; SQUID-VIBRIO
SYMBIOSIS; SINGLE-CELL GENOMICS; HUMAN GUT MICROBIOME
AB The microbiome presents great opportunities for understanding and improving the world around us and elucidating the interactions that compose it. The microbiome also poses tremendous challenges for mapping and manipulating the entangled networks of interactions among myriad diverse organisms. Here, we describe the opportunities, technical needs, and potential approaches to address these challenges, based on recent and upcoming advances in measurement and control at the nanoscale and beyond. These technical needs will provide the basis for advancing the largely descriptive studies of the microbiome to the theoretical and mechanistic understandings that will underpin the discipline of microbiome engineering. We anticipate that the new tools and methods developed will also be more broadly useful in environmental monitoring, medicine, forensics, and other areas.
C1 [Biteen, Julie S.] Univ Michigan, Dept Chem, Ann Arbor, MI 48109 USA.
[Blainey, Paul C.] MIT, Dept Biol Engn, Cambridge, MA 02138 USA.
[Blainey, Paul C.] Broad Inst MIT & Harvard, Cambridge, MA 02138 USA.
[Cardon, Zoe G.] Marine Biol Lab, Ctr Ecosyst, Woods Hole, MA 02543 USA.
[Chun, Miyoung; Taha, Sharif] Kavli Fdn, Oxnard, CA 93030 USA.
[Church, George M.] Harvard Univ, Sch Med, Dept Genet, Boston, MA 02115 USA.
[Silver, Pamela A.] Harvard Univ, Sch Med, Dept Syst Biol, Boston, MA 02115 USA.
[Church, George M.; Silver, Pamela A.] Harvard Univ, Wyss Inst Biol Inspired Engn, Boston, MA 02115 USA.
[Church, George M.; Silver, Pamela A.] Harvard Univ, Biophys Program, Boston, MA 02115 USA.
[Dorrestein, Pieter C.] Univ Calif San Diego, Skaggs Sch Pharm & Pharmaceut Sci Biochem Pharmac, La Jolla, CA 92093 USA.
[Knight, Rob] Univ Calif San Diego, Dept Pediat, La Jolla, CA 92093 USA.
[Knight, Rob] Univ Calif San Diego, Dept Comp Sci & Engn, La Jolla, CA 92093 USA.
[Prather, Kimberly A.] Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA.
[Prather, Kimberly A.] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA.
[Fraser, Scott E.] Univ So Calif, Translat Imaging Ctr, Mol & Computat Biol, Los Angeles, CA 90089 USA.
[Gilbert, Jack A.] Argonne Natl Lab, Inst Genom & Syst Biol, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Gilbert, Jack A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA.
[Gilbert, Jack A.] Univ Chicago, Dept Surg, Chicago, IL 60637 USA.
[Jansson, Janet K.; Wright, Aaron T.] Pacific NW Natl Lab, Earth & Biol Sci Div, Richland, WA 99352 USA.
[Miller, Jeff F.; Ozcan, Aydogan; Weiss, Paul S.; Wong, Gerard C. L.; Young, Thomas D.] Univ Calif Los Angeles, Calif NanoSyst Inst, Los Angeles, CA 90095 USA.
[Miller, Jeff F.] Univ Calif Los Angeles, Dept Microbiol Immunol & Mol Genet, Los Angeles, CA 90095 USA.
[Ozcan, Aydogan] Univ Calif Los Angeles, Dept Elect Engn, Los Angeles, CA 90095 USA.
[Ozcan, Aydogan; Wong, Gerard C. L.] Univ Calif Los Angeles, Dept Bioengn, Los Angeles, CA 90095 USA.
[Weiss, Paul S.; Wong, Gerard C. L.; Young, Thomas D.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA.
[Weiss, Paul S.] Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA.
[Quake, Stephen R.] Stanford Univ, Dept Appl Phys & Bioengn, Stanford, CA 94305 USA.
[Quake, Stephen R.] Stanford Univ, Howard Hughes Med Inst, Stanford, CA 94305 USA.
[Ruby, Edward G.] Univ Hawaii Manoa, Kewalo Marine Lab, Honolulu, HI 96813 USA.
[van den Engh, Ger] Ctr Marine Cytometry, Concrete, Washington, DC USA.
[van den Engh, Ger] Univ Concepcion, Inst Milenio Oceanog, Concepcion, Chile.
RP Knight, R (reprint author), Univ Calif San Diego, Dept Pediat, La Jolla, CA 92093 USA.; Knight, R (reprint author), Univ Calif San Diego, Dept Comp Sci & Engn, La Jolla, CA 92093 USA.; Miller, JF; Weiss, PS (reprint author), Univ Calif Los Angeles, Calif NanoSyst Inst, Los Angeles, CA 90095 USA.; Miller, JF (reprint author), Univ Calif Los Angeles, Dept Microbiol Immunol & Mol Genet, Los Angeles, CA 90095 USA.; Weiss, PS (reprint author), Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA.; Weiss, PS (reprint author), Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA.
EM robknight@ucsd.edu; jfmiller@ucla.edu; psw@cnsi.ucla.edu
RI Weiss, Paul/A-2575-2011; Cardon, Zoe/I-2119-2016; Prather,
Kimberly/A-3892-2008; Ozcan, Aydogan/I-2608-2013;
OI Weiss, Paul/0000-0001-5527-6248; Cardon, Zoe/0000-0001-8725-7842;
Prather, Kimberly/0000-0003-3048-9890; Ozcan,
Aydogan/0000-0002-0717-683X; Blainey, Paul/0000-0002-4889-8783
FU Kavli Foundation; Office of Naval Research [N000141410051]; Genomic
Science Program of the U.S. DOE-OBER; DOE [DE-AC06-76RL01830]
FX We gratefully acknowledge the Kavli Foundation for support and
encouragement of this initiative and the discussions that led up to it.
This research was supported by the Office of Naval Research Grant
#N000141410051 (P.S.W., G.C.L.W., and T.Y.), the Genomic Science Program
of the U.S. DOE-OBER, and is a contribution of the PNNL Foundational
Scientific Focus Area (J.K.J. and A.W.) and the Panomics project (A.W.)
at the Pacific Northwest National Laboratory, a multiprogram national
laboratory operated by Battelle for the DOE under Contract
DE-AC06-76RL01830. The authors acknowledge helpful discussions with
Profs. Paul Alivisatos, Anne Andrews, Xiangfeng Duan, Lee Hood, Yu
Huang, Andrea Kasko, Ken Nealson, and Sunney Xie, as well as with many
of our other colleagues. We thank Ms. Andrea Selby for the table of
contents artwork, Dr. Jessica Polka for help with graphics, and Ms.
Holly Bunje for help in preparing the manuscript.
NR 338
TC 25
Z9 25
U1 39
U2 104
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 2016
VL 10
IS 1
BP 6
EP 37
DI 10.1021/acsnano.5b07826
PG 32
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800002
PM 26695070
ER
PT J
AU Yuk, JM
Zhou, Q
Chang, JY
Ercius, P
Alivisatos, AP
Zettl, A
AF Yuk, Jong Min
Zhou, Qin
Chang, Jiyoung
Ercius, Peter
Alivisatos, A. Paul
Zettl, Alex
TI Real-Time Observation of Water-Soluble Mineral Precipitation in Aqueous
Solution by In Situ High-Resolution Electron Microscopy
SO ACS NANO
LA English
DT Article
DE in situ graphene liquid cell electron microscopy; water-soluble mineral;
nucleation and growth; grain boundary migration; grain rotation
ID PLATINUM NANOCRYSTAL GROWTH; GRAPHENE LIQUID CELLS; CALCITE GROWTH;
CARBONATE NUCLEATION; KINETICS; RECRYSTALLIZATION; SANDWICHES;
PERSULFATE; EVOLUTION; SULFATE
AB The precipitation and dissolution of water-soluble minerals in aqueous systems is a familiar process occurring commonly in nature. Understanding mineral nucleation and growth during its precipitation is highly desirable, but past in situ techniques have suffered from limited spatial and temporal resolution. Here, by using in situ graphene liquid cell electron microscopy, mineral nucleation and growth processes are demonstrated in high spatial and temporal resolution. We precipitate the mineral thenardite (Na2SO4) from aqueous solution with electron-beam-induced radiolysis of water. We demonstrate that minerals nucleate with a two-dimensional island structure on the graphene surfaces. We further reveal that mineral grains grow by grain boundary migration and grain rotation. Our findings provide a direct observation of the dynamics of crystal growth from ionic solutions.
C1 [Yuk, Jong Min; Zhou, Qin; Chang, Jiyoung; Zettl, Alex] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Alivisatos, A. Paul] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Alivisatos, A. Paul] Univ Calif Berkeley, Dept Mat Sci, Berkeley, CA 94720 USA.
[Yuk, Jong Min; Zhou, Qin; Chang, Jiyoung; Alivisatos, A. Paul; Zettl, Alex] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA.
[Ercius, Peter] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Mol Foundry, Berkeley, CA 94720 USA.
[Yuk, Jong Min; Zhou, Qin; Chang, Jiyoung; Alivisatos, A. Paul; Zettl, Alex] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.
RP Zettl, A (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.; Zettl, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA.; Zettl, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.
EM azettl@berkeley.edu
RI Alivisatos , Paul /N-8863-2015; Yuk, Jong Min/I-8770-2016; Zettl,
Alex/O-4925-2016
OI Alivisatos , Paul /0000-0001-6895-9048; Yuk, Jong
Min/0000-0002-4677-7363; Zettl, Alex/0000-0001-6330-136X
FU Office of Energy Research, Basic Energy Sciences, Materials Sciences and
Engineering Division, of the U.S. Department of Energy
[DE-AC02-05CH11231]; Office of Naval Research [N00014-12-1]; NSF
[DMR-1206512]; DTRA [HDTRA1-13-1-0035]
FX We thank C. Song at the Molecular Foundry for experimental assistance
with TEM, and S. Nguyen at U.C. Berkeley for helpful discussions.
J.M.Y., Q.Z., J.C., and A.Z. acknowledge support from the Director,
Office of Energy Research, Basic Energy Sciences, Materials Sciences and
Engineering Division, of the U.S. Department of Energy under Contract
DE-AC02-05CH11231 within the SP2-Bonded Materials Program and The
Molecular Foundry, which provided for construction of the GLC and TEM
characterization, respectively; the Office of Naval Research under Grant
N00014-12-1, which provided for graphene growth; the NSF under Grant
DMR-1206512, which provided for development of graphene transfer
methods; and DTRA Grant HDTRA1-13-1-0035, which provided postdoctoral
support.
NR 31
TC 5
Z9 5
U1 13
U2 48
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 2016
VL 10
IS 1
BP 88
EP 92
DI 10.1021/acsnano.5b04064
PG 5
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800007
PM 26649494
ER
PT J
AU Lim, J
Wang, HT
Tang, JY
Andrews, SC
So, HY
Lee, J
Lee, DH
Russell, TP
Yang, PD
AF Lim, Jongwoo
Wang, Hung-Ta
Tang, Jinyao
Andrews, Sean C.
So, Hongyun
Lee, Jaeho
Lee, Dong Hyun
Russell, Thomas P.
Yang, Peidong
TI Simultaneous Thermoelectric Property Measurement and Incoherent Phonon
Transport in Holey Silicon
SO ACS NANO
LA English
DT Article
DE thermoelectrics; silicon nanostructure; holey silicon; phonon transport;
thermal conductivity
ID THERMAL-CONDUCTIVITY; NANOWIRES; HEAT; NANOSTRUCTURES; SCATTERING;
FILMS; CRYSTALS; SYSTEMS; DEVICE
AB Block copolymer patterned holey silicon (HS) was successfully integrated into a micro device for simultaneous measurements of Seebeck coefficient, electrical conductivity, and thermal conductivity of the same HS microribbon. These fully integrated HS microdevices provided excellent platforms for the systematic investigation of thermoelectric transport properties tailored by the dimensions of the periodic hole array, that is, neck and pitch size, and the doping concentrations. Specifically, thermoelectric transport properties of HS with a neck size in the range of 16-34 nm and a fixed pitch size of 60 nm were characterized, and a clear neck size dependency was shown in the doping range of 3.1 x 10(18) to 6.5 x 10(19) cm(-3). At 300 K, thermal conductivity as low as 1.8 +/- 0.2 W/mK was found in HS with a neck size of 16 nm, while optimized zT values were shown in HS with a neck size of 24 nm. The controllable effects of holey array dimensions and doping concentrations on HS thermoelectric performance could aid in improving the understanding of the phonon scattering process in a holey structure and also in facilitating the development of silicon-based thermoelectric devices.
C1 [Lim, Jongwoo; Wang, Hung-Ta; Tang, Jinyao; Andrews, Sean C.; Lee, Jaeho; Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[So, Hongyun] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA.
[Yang, Peidong] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Yang, Peidong] Univ Calif Berkeley, Kavli Energy Nanosci Inst, Berkeley, CA 94720 USA.
[Lim, Jongwoo; Andrews, Sean C.; Yang, Peidong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Wang, Hung-Ta] Univ Alabama, Dept Chem & Biol Engn, Tuscaloosa, AL 35487 USA.
[Wang, Hung-Ta] Univ Alabama, Ctr Mat Informat Technol, Tuscaloosa, AL 35487 USA.
[Tang, Jinyao] Univ Hong Kong, Dept Chem, Pokfulam, Hong Kong, Peoples R China.
[Lee, Jaeho] Univ Calif Irvine, Dept Mech & Aerosp Engn, Irvine, CA 92697 USA.
[Lee, Dong Hyun] Dankook Univ, Dept Polymer Sci & Engn, 152 Jukjeon Ro, Yongin 16890, Gyeonggi Do, South Korea.
[Lee, Dong Hyun; Russell, Thomas P.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA.
RP Yang, PD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Yang, PD (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.; Yang, PD (reprint author), Univ Calif Berkeley, Kavli Energy Nanosci Inst, Berkeley, CA 94720 USA.; Yang, PD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
EM p_yang@berkeley.edu
FU Office of Science, Office of Basic Energy Sciences, Materials Sciences
and Engineering Division, of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX Authors thank Dr. Kedar Hippalgaonkar and Dr. Renkun Chen for the
insightful discussion, and Dr. Erik Garnett for the assist of low-stress
SiNx growth with Stanford Nanofabrication Facility. We also
thank the UC-Berkeley Marvel Nanofabrication Laboratory where most of
the microdevice fabrication was performed. This work was supported by
the Director, Office of Science, Office of Basic Energy Sciences,
Materials Sciences and Engineering Division, of the U.S. Department of
Energy under Contract No. DE-AC02-05CH11231 (Thermal).
NR 52
TC 5
Z9 5
U1 10
U2 38
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 2016
VL 10
IS 1
BP 124
EP 132
DI 10.1021/acsnano.5b05385
PG 9
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800011
PM 26650117
ER
PT J
AU Welch, DA
Woehl, TJ
Park, C
Faller, R
Evans, JE
Browning, ND
AF Welch, David A.
Woehl, Taylor J.
Park, Chiwoo
Faller, Roland
Evans, James E.
Browning, Nigel D.
TI Understanding the Role of Solvation Forces on the Preferential
Attachment of Nanoparticles in Liquid
SO ACS NANO
LA English
DT Article
DE molecular dynamics; in situ microscopy; nanoparticles; attachment
ID TRANSMISSION ELECTRON-MICROSCOPY; MOLECULAR-DYNAMICS SIMULATION;
ORIENTED-ATTACHMENT; METAL NANOPARTICLES; GROWTH; NANOCRYSTALS;
NANOSTRUCTURES; MECHANISMS; NUCLEATION; CATALYSIS
AB Optimization of colloidal nanoparticle synthesis techniques requires an understanding of underlying particle growth mechanisms. Nonclassical growth mechanisms are particularly important as they affect nanoparticle, size and shape distributions, which in turn influence functional properties. For example, preferential attachment of nanoparticles is known to lead to the formation of mesocrystals, although the formation mechanism is currently not well-understood: Here we employ in situ liquid cell scanning transmission electron microscopy and steered molecular dynamics (SMD) simulations to demonstrate that the experimentally observed preference for end-to-end attachment, of silver nanorods is a result of weaker solvation forces occurring at rod ends. SMD reveals that when the side of a nanorod approaches another rod, perturbation in the surface-bound water, at the nanorod surface creates significant energy barriers to attachment. Additionally, rod morphology (i.e., facet shape) effects can explain the majority of the side attachment effects that are observed experimentally.
C1 [Welch, David A.; Woehl, Taylor J.; Faller, Roland] Univ Calif Davis, Dept Chem Engn & Mat Sci, One Shields Ave, Davis, CA 95616 USA.
[Park, Chiwoo] Florida State Univ, Dept Ind & Mfg Engn, Tallahassee, FL 32310 USA.
[Evans, James E.] Pacific NW Natl Lab, Environm Mol Sci Lab, 902 Battelle Blvd, Richland, WA 99354 USA.
[Browning, Nigel D.] Pacific NW Natl Lab, Fundamental Computat Sci Directorate, 902 Battelle Blvd, Richland, WA 99354 USA.
[Woehl, Taylor J.] NIST, Mat Measurement Lab, Boulder, CO 80305 USA.
RP Welch, DA (reprint author), Univ Calif Davis, Dept Chem Engn & Mat Sci, One Shields Ave, Davis, CA 95616 USA.
EM dawelch@ucdavis.edu
FU United States Department of Energy (DOE) through the University of
California at Davis [DE-FG02-03ER46057]; Laboratory Directed Research
and Development (LDRD) Program: Chemical Imaging Initiative at Pacific
Northwest National Laboratory (PNNL); Environmental Molecular Sciences
Laboratory (EMSL), a national scientific user facility - DOE's Office of
Biological and Environmental Research; DOE [DE-AC05-76RL01830]; National
Science Foundation [NSF-1334012]
FX We thank C. Mundy for helpful comments on the draft manuscript. This
work was supported in part by the United States Department of Energy
(DOE) Grant No. DE-FG02-03ER46057 through the University of California
at Davis, the Laboratory Directed Research and Development (LDRD)
Program: Chemical Imaging Initiative at Pacific Northwest National
Laboratory (PNNL), and the Environmental Molecular Sciences Laboratory
(EMSL), a national scientific user facility sponsored by the DOE's
Office of Biological and Environmental Research and located at PNNL.
PNNL is a multiprogram national laboratory operated by Battelle for the
DOE under Contract DE-AC05-76RL01830. The development of the single
particle tracking algorithm was supported by the National Science
Foundation under NSF-1334012.
NR 46
TC 8
Z9 8
U1 14
U2 47
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 2016
VL 10
IS 1
BP 181
EP 187
DI 10.1021/acsnano.5b06632
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800017
PM 26588243
ER
PT J
AU Duan, JC
Kodali, VK
Gaffrey, MJ
Guo, J
Chu, RK
Camp, DG
Smith, RD
Thrall, BD
Qian, WJ
AF Duan, Jicheng
Kodali, Vamsi K.
Gaffrey, Matthew J.
Guo, Jia
Chu, Rosalie K.
Camp, David G.
Smith, Richard D.
Thrall, Brian D.
Qian, Wei-Jun
TI Quantitative Profiling of Protein S-Glutathionylation Reveals
Redox-Dependent Regulation of Macrophage Function during
Nanoparticle-Induced Oxidative Stress
SO ACS NANO
LA English
DT Article
DE S-glutathionylation; nanotoxicology; macrophage; oxidative stress; redox
proteomics; resin-assisted enrichment; immune functions
ID ENDOPLASMIC-RETICULUM STRESS; IN-VITRO DOSIMETRY; RECEPTOR-MEDIATED
PHAGOCYTOSIS; SILICA NANOPARTICLES; REACTIVE OXYGEN; SCAVENGER RECEPTOR;
CELL-DEATH; ENGINEERED NANOMATERIALS; MOLECULAR-MECHANISMS;
DISULFIDE-ISOMERASE
AB Engineered nanoparticles (ENPs) are increasingly utilized for commercial and medical applications; thus, understanding their potential adverse effects is an important societal issue. Herein, we investigated protein S-glutathionylation (SSG) as an underlying regulatory mechanism by which ENPs may alter macrophage innate immune functions, using a quantitative redox proteomics approach for site-specific measurement of SSG modifications. Three high-volume production ENPs (SiO2, Fe3O4, and CoO) were selected as representatives which induce low, moderate, and high propensity, respectively, to stimulate cellular reactive oxygen species (ROS) and disrupt macrophage function. The SSG modifications identified highlighted a broad set of redox sensitive proteins and specific Cys residues which correlated well with the overall level of cellular redox stress and impairment of macrophage phagocytic function (CoO > Fe3O4 >> SiO2). Moreover, our data revealed pathway-specific differences in susceptibility to SSG between ENPs which induce moderate versus high levels of ROS. Pathways regulating protein translation and protein stability indicative of ER stress responses and proteins involved in phagocytosis were among the most sensitive to SSG in response to ENPs that induce subcytoxic levels of redox stress. At higher levels of redox stress, the pattern of SSG modifications displayed reduced specificity and a broader set pathways involving classical stress responses and mitochondrial energetics (e.g., glycolysis) associated with apoptotic mechanisms. An important role for SSG in regulation of macrophage innate immune function was also confirmed by RNA silencing of glutaredoxin, a major enzyme which reverses SSG modifications. Our results provide unique insights into the protein signatures and pathways that serve as ROS sensors and may facilitate cellular adaption to ENPs, versus intracellular targets of ENP-induced oxidative stress that are linked to irreversible cell outcomes.
C1 [Duan, Jicheng; Kodali, Vamsi K.; Gaffrey, Matthew J.; Guo, Jia; Camp, David G.; Smith, Richard D.; Thrall, Brian D.; Qian, Wei-Jun] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA.
[Chu, Rosalie K.; Smith, Richard D.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
[Guo, Jia] BioMarin Pharmaceut Inc, BioAnalyt Sci, Novato, CA 94949 USA.
RP Thrall, BD; Qian, WJ (reprint author), Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA.
EM brian.thrall@pnnl.gov; weijun.qian@pnnl.gov
RI Smith, Richard/J-3664-2012;
OI Smith, Richard/0000-0002-2381-2349; Kodali, Vamsi/0000-0001-6177-0568
FU NIH [DP2OD006668, UC4 DK104167, U19 ES019544, P41 GM103493,
U24-CA-160019]; DOE; DOE/BER; DOE [DE-AC05-76RL0 1830]
FX This research was supported by in part by NIH grants DP2OD006668
(W.-J.Q.), UC4 DK104167 (W.J.Q,), U19 ES019544 (B.D.T.), P41 GM103493
(R.D.S.), U24-CA-160019 (R.D.S), and a DOE Early Career Research Award
(W.-J.Q). This work was performed in the Environmental Molecular
Sciences Laboratory, a national scientific user facility sponsored by
DOE/BER and located at Pacific Northwest National Laboratory, which is
operated by Battelle Memorial Institute for the DOE under Contract
DE-AC05-76RL0 1830. The authors would like to thank Prof. Tzong-Yi Lee
at Yuan Ze University, Academia Sinica, Taiwan, China for providing the
database of dbGSH 1.0.
NR 94
TC 3
Z9 3
U1 15
U2 33
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 2016
VL 10
IS 1
BP 524
EP 538
DI 10.1021/acsnano.5b05524
PG 15
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800056
PM 26700264
ER
PT J
AU Yuan, YF
Wood, SM
He, K
Yao, WT
Tompseett, D
Lu, J
Nie, AM
Islam, MS
Shahbazian-Yassar, R
AF Yuan, Yifei
Wood, Stephen M.
He, Kun
Yao, Wentao
Tompseett, David
Lu, Jun
Nie, Anmin
Islam, M. Saiful
Shahbazian-Yassar, Reza
TI Atomistic Insights into the Oriented Attachment of Tunnel-Based Oxide
Nanostructures
SO ACS NANO
LA English
DT Article
DE nanowire; oriented attachment; tunnel; interface; surface structure
ID MOLECULAR-SIEVE NANOMATERIALS; HYDROTHERMAL SYNTHESIS;
ELECTRON-MICROSCOPY; MNO2 NANOWIRES; ELECTROCHEMICAL PROPERTIES;
ALPHA-MNO2 NANOWIRES; CRYSTAL-STRUCTURE; ION INSERTION; MANGANESE;
GROWTH
AB Controlled synthesis of nanomaterials is one of the grand challenges facing materials scientists. In particular, how tunnel-based nanomaterials aggregate during synthesis while, maintaining their well-aligned tunneled structure is not fully understood. Here, we describe the atomistic mechanism of oriented attachment (OA) during solution synthesis of tunneled alpha-MnO2 nanowires based on a combination of in situ liquid cell transmission electron microscopy (TEM), aberration-corrected scanning TEM with subangstrom spatial resolution, and first-principles calculations. It is found that primary tunnels (1 x 1 and 2 x 2) attach along their common {110} lateral surfaces to form interfaces corresponding to 2 x 3 tunnels that facilitate their short-range ordering. The OA growth of alpha-MnO2 nanowires is driven by the stability gained from elimination of {110} surfaces and saturation of Mn atoms at {110}-edges. During this process, extra [MnOx] radicals in solution link the two adjacent {110} surfaces and bond with the unsaturated Mn atoms from both surface edges to produce stable nanowire interfaces. Our results provide insights into the nanomaterials in which tunneled structures can be tailored for use in catalysis, ion applications.
C1 [Yuan, Yifei; He, Kun] Michigan Technol Univ, Dept Mat Sci & Engn, 1400 Townsend Dr, Houghton, MI 49931 USA.
[Yuan, Yifei; Lu, Jun] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Wood, Stephen M.; Tompseett, David; Islam, M. Saiful] Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England.
[He, Kun] Shandong Univ, Dept Mat Sci & Engn, 17923 Jingshi Rd, Jinan 250061, Peoples R China.
[Yao, Wentao; Nie, Anmin; Shahbazian-Yassar, Reza] Michigan Technol Univ, Dept Mech Engn, 1400 Townsend Dr, Houghton, MI 49931 USA.
[Shahbazian-Yassar, Reza] Univ Illinois, Dept Mech & Ind Engn, Chicago, IL 60607 USA.
RP Lu, J (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.; Islam, MS (reprint author), Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England.; Nie, AM; Shahbazian-Yassar, R (reprint author), Michigan Technol Univ, Dept Mech Engn, 1400 Townsend Dr, Houghton, MI 49931 USA.; Shahbazian-Yassar, R (reprint author), Univ Illinois, Dept Mech & Ind Engn, Chicago, IL 60607 USA.
EM junlu@anl.gov; anie@mtu.edu; M.S.Islam@bath.ac.uk; rsyassar@uic.edu
RI Nie, Anmin/N-7859-2014
OI Nie, Anmin/0000-0002-0180-1366
FU National Science Foundation [DMR-1410560]; NSF [CMMI-1200383]; Argonne
National Laboratory [4F31422]; U.S. Department of Energy from Vehicle
Technologies Office, Department of Energy, Office of Energy Efficiency
and Renewable Energy (EERE) [DE-AC0206CH11357]; MRI-R2 grant from
National Science Foundation [DMR-0959470]; EPSRC [EP/L016354,
EP/L000202/1]; MRI-R2 grant from the National Science Foundation
[DMR-0959470]
FX R. Shahbazian-Yassar acknowledges financial support from the National
Science Foundation (Award No. DMR-1410560). A. Nie and W. Yao were
partially funded by NSF Award No. CMMI-1200383. Partial funding for Y.
Yuan from Argonne National Laboratory under subcontract No. 4F31422 is
acknowledged. J. Lu was supported by the U.S. Department of Energy under
Contract DE-AC0206CH11357 from the Vehicle Technologies Office,
Department of Energy, Office of Energy Efficiency and Renewable Energy
(EERE). The acquisition of the UIC JEOL JEM-ARM200CF was supported by an
MRI-R2 grant from the National Science Foundation (Award No.
DMR-0959470). M. Islam acknowledges support from the EPSRC-funded CDT in
Sustainable Chemical Technologies (EP/L016354) and Materials Chemistry
consortium (EP/L000202/1) for Archer HPC/Archer facilities. This work
made use of the JEOL JEM-ARM200CF in the Electron Microscopy Service
(Research Resources Center, UIC). The acquisition of the UIC JEOL
JEM-ARM200CF was supported by a MRI-R2 grant from the National Science
Foundation [DMR-0959470]. We thank A. Nicholls and K. Low from RRC of
UIC for the assistance on TEM sample preparation, E. Laitila from the
Department of Materials Science and Engineering at MTU for his help with
XRD experiments, and C. Fisher from JFCC, Nagoya, Japan, for helpful
discussions.
NR 64
TC 7
Z9 7
U1 21
U2 54
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 2016
VL 10
IS 1
BP 539
EP 548
DI 10.1021/acsnano.5b05535
PG 10
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800057
PM 26649473
ER
PT J
AU Yang, SM
Paranthaman, MP
Noh, TW
Kalinin, SV
Strelcov, E
AF Yang, Sang Mo
Paranthaman, Mariappan Parans
Noh, Tae Won
Kalinin, Sergei V.
Strelcov, Evgheni
TI Nanoparticle Shape Evolution and Proximity Effects During Tip-Induced
Electrochemical Processes
SO ACS NANO
LA English
DT Article
DE scanning probe microscopy; electrochemistry; silver; proximity effect;
fractal; diffusion-limited aggregation
ID DIFFUSION-LIMITED AGGREGATION; FRACTAL GROWTH; NANOSCALE; BATTERIES;
ELECTRODEPOSITION; FERROELECTRICS; CHALLENGES; NUCLEATION; MICROSCOPY;
CLUSTERS
AB Voltage spectroscopies in scanning probe microscopy (SPM) techniques are widely used to investigate the electrochemical processes in nanoscale volumes, which are important for current key applications, such as batteries, fuel cells, catalysts, and memristors. The spectroscopic measurements are commonly performed on a grid of multiple points to yield spatially resolved maps of reversible and irreversible electrochemical functionalities. Hence, the spacing between measurement points is an important parameter to be considered, especially for irreversible electrochemical processes. Here, we report nonlocal electrochemical dynamics in chains of Ag particles fabricated by the SPM tip on a silver ion solid electrolyte. When the grid spacing is small compared with the size of the formed Ag particles,, anomalous chains of unequally sized particles with double periodicity evolve. This behavior is ascribed to a proximity effect during the tip-induced electrochemical process, specifically, size-dependent silver particle growth following the contact between the particles. In addition, fractal shape evolution of the formed Ag structures indicates that the growth-limiting process changes from Ag+/Ag redox reaction to Ag+-ion diffusion with the increase in the applied voltage and pulse duration. This study shows that characteristic shapes of the electrochemical products are good indicators for determining the underlying growth-limiting process, and emergence of complex phenomena during spectroscopic mapping of electrochemical functionalities.
C1 [Yang, Sang Mo; Kalinin, Sergei V.; Strelcov, Evgheni] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Yang, Sang Mo; Noh, Tae Won] Inst for Basic Sci Korea, Ctr Correlated Electron Syst, Seoul 151742, South Korea.
[Yang, Sang Mo; Noh, Tae Won] Seoul Natl Univ, Dept Phys & Astron, Seoul 151742, South Korea.
[Paranthaman, Mariappan Parans] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
RP Yang, SM (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.; Yang, SM (reprint author), Inst for Basic Sci Korea, Ctr Correlated Electron Syst, Seoul 151742, South Korea.; Yang, SM (reprint author), Seoul Natl Univ, Dept Phys & Astron, Seoul 151742, South Korea.
EM yangs@ornl.gov
OI Yang, Sang Mo/0000-0003-1809-2938
FU DOE Office of Science User Facility; DOE; U.S. Department of Energy,
Office of Science, Office of Basic Energy Sciences, Materials Sciences
and Engineering Division; [IBS-R009-D1]
FX This research was supported (S.M.Y., S.V.K., and E.S.) by and conducted
at the Center for Nanophase Materials Sciences, which is a DOE Office of
Science User Facility. Support (S.M.Y. and S.V.K) was also provided by a
DOE Presidential Early Career for Scientists and Engineers. This
research was also supported (S.M.Y. and T.W.N.) by IBS-R009-D1, Korea.
Materials synthesis work (M.P.P.) was sponsored by the U.S. Department
of Energy, Office of Science, Office of Basic Energy Sciences, Materials
Sciences and Engineering Division.
NR 47
TC 1
Z9 1
U1 6
U2 32
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 2016
VL 10
IS 1
BP 663
EP 671
DI 10.1021/acsnano.5b05686
PG 9
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800070
PM 26743324
ER
PT J
AU Hsu, CH
Dong, XH
Lin, ZW
Ni, B
Lu, PT
Jiang, Z
Tian, D
Shi, AC
Thomas, EL
Cheng, SZD
AF Hsu, Chih-Hao
Dong, Xue-Hui
Lin, Zhiwei
Ni, Bo
Lu, Pengtao
Jiang, Zhang
Tian, Ding
Shi, An-Chang
Thomas, Edwin L.
Cheng, Stephen Z. D.
TI Tunable Affinity and Molecular Architecture Lead to Diverse
Self-Assembled Supramolecular Structures in Thin Films
SO ACS NANO
LA English
DT Article
DE surface functionality; nanoparticles; molecular architecture;
self-assembly; thin film
ID X-RAY-SCATTERING; POLYHEDRAL OLIGOMERIC SILSESQUIOXANE; HEXAGONALLY
PERFORATED LAYER; ABC TRIBLOCK COPOLYMERS; BLOCK-COPOLYMER; SHAPE
AMPHIPHILES; PHASE-BEHAVIOR; DIBLOCK COPOLYMERS; GIANT SURFACTANTS; NM
DOMAINS
AB The self-assembly behavior of specifically designed giant surfactants is systematically studied in thin films using grazing incidence X-ray scattering and transmission electron microscopy, focusing on the effects of molecular nanoparticle (MNP) functionalities and molecular architectures on nanostructure formation. Two MNPs with different surface functionalities, i.e., hydrophilic carboxylic acid functionalized [60]fullerene (AC(60)) and omniphobic fluorinated polyhedral oligomeric silsesquioxane (FPOSS), are utilized as the head portions of the giant surfactants. By covalently tethering these functional MNPs onto the end point or junction point of polystyrene-block-poly(ethylene oxide) (PS-b-PEO) diblock copolymer, linear and star-like giant surfactants with different molecular architectures are constructed. With fixed length of the PEO block, changing the molecular weight of the PS block leads to the formation of various ordered phases and phase transitions. Due to the distinct affinity, the AC(60)-based and FPOSS-based giant surfactants form two- or three-component morphologies, respectively. A stretching parameter for the PS block is introduced to characterize the PS chain conformation in the different morphologies. The highly diverse self-assembled nanostructures with high etch resistance between components in small dimensions obtained from the giant surfactant thin films suggest that these macromolecules could provide a promising and robust platform for nanolithography applications.
C1 [Hsu, Chih-Hao; Dong, Xue-Hui; Lin, Zhiwei; Ni, Bo; Lu, Pengtao; Tian, Ding; Cheng, Stephen Z. D.] Univ Akron, Coll Polymer Sci & Polymer Engn, Dept Polymer Sci, Akron, OH 44325 USA.
[Jiang, Zhang] Argonne Natl Lab, Xray Sci Div, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Shi, An-Chang] McMaster Univ, Dept Phys & Astron, Hamilton, ON L8S 4M1, Canada.
[Thomas, Edwin L.] Rice Univ, Brown Sch Engn, Dept Mat Sci & Nano Engn, Houston, TX 77251 USA.
[Thomas, Edwin L.] Rice Univ, Brown Sch Engn, Dept Chem & Biomol Engn, Houston, TX 77251 USA.
RP Cheng, SZD (reprint author), Univ Akron, Coll Polymer Sci & Polymer Engn, Dept Polymer Sci, Akron, OH 44325 USA.; Shi, AC (reprint author), McMaster Univ, Dept Phys & Astron, Hamilton, ON L8S 4M1, Canada.; Thomas, EL (reprint author), Rice Univ, Brown Sch Engn, Dept Mat Sci & Nano Engn, Houston, TX 77251 USA.
EM shi@mcmaster.ca; elt@rice.edu; scheng@uakron.edu
RI Jiang, Zhang/A-3297-2012
OI Jiang, Zhang/0000-0003-3503-8909
FU National Science Foundation [DMR-1408872]; U.S. Department of Energy,
Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357];
Natural Science and Engineering Research Council (NSERC) of Canada
FX This work was supported by the National Science Foundation
(DMR-1408872). Use of the Advanced Photon Source at Argonne National
Laboratory was supported by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, under contract
DE-AC02-06CH11357. A.-C.S. is supported by the Natural Science and
Engineering Research Council (NSERC) of Canada.
NR 47
TC 10
Z9 10
U1 13
U2 67
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 2016
VL 10
IS 1
BP 919
EP 929
DI 10.1021/acsnano.5b06038
PG 11
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800100
PM 26623661
ER
PT J
AU Gulec, A
Phelan, D
Leighton, C
Klie, RF
AF Gulec, Ahmet
Phelan, Daniel
Leighton, Chris
Klie, Robert F.
TI Simultaneous First-Order Valence and Oxygen Vacancy Order/Disorder
Transitions in (Pr0.85Y0.15)(0.7)Ca0.3CoO3-delta via Analytical
Transmission Electron Microscopy
SO ACS NANO
LA English
DT Article
DE perovskite cobaltites; transmission electron microscopy; electron energy
loss spectroscopy; spin-state transitions; oxygen vacancy ordering
ID SPIN-STATE; PHASE-SEPARATION; LACOO3; COBALTITES; MANGANESE
AB Perovskite cobaltites have been studied for years as some of the few solids to exhibit thermally driven spin-state crossovers. The unanticipated first-order spin and electronic transitions recently discovered in Pr-based cobaltites are notably different from these conventional crossovers, and are understood in terms of a unique valence transition. In essence, the Pr valence is thought to spontaneously shift from 3+ toward 4+ on cooling, driving subsequent transitions in Co valence and electronic/magnetic properties. Here, we apply temperature-dependent transmission electron microscopy and spectroscopy to study this phenomenon, for the first time with atomic spatial resolution, in the prototypical (Pr0.85Y0.15)(0.70) Ca0.30CoO3-delta. In addition to the direct spectroscopic observation of charge transfer between Pr and Co at the 165 K transition (on both the Pr and O edges), we also find a simultaneous order/disorder transition associated with O vacancies. Remarkably, the first-order valence change drives a transition between ordered and random O vacancies, at constant O vacancy density, demonstrating reversible crystallization of such vacancies even at cryogenic temperatures.
C1 [Gulec, Ahmet; Klie, Robert F.] Univ Illinois, Dept Phys, Chicago, IL 60607 USA.
[Phelan, Daniel; Leighton, Chris] Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA.
[Phelan, Daniel] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
RP Klie, RF (reprint author), Univ Illinois, Dept Phys, Chicago, IL 60607 USA.
EM rfkliep@uic.edu
FU National Science Foundation [DMR-0846748, DMR-1408427]; NSF MRI-R2 grant
[DMR-0959470]; UIC Research Resources Center (RRC); DOE
[DE-FG02-06ER46275]; DOE Office of Science, Basic Energy Sciences,
Materials Science and Engineering Division
FX Work at UIC was supported by grants from the National Science Foundation
(Grant No. DMR-0846748 and DMR-1408427). The acquisition of the UIC JEOL
JEMARA4200CF was supported by a NSF MRI-R2 grant
(DMR-0959470). Support from the UIC Research Resources Center (RRC), in
particular A.W. Nicholls is acknowledged. Work at UMN was supported by
the DOE under DE-FG02-06ER46275. Work at ANL was supported by DOE Office
of Science, Basic Energy Sciences, Materials Science and Engineering
Division. The authors acknowledge the sample preparation efforts of M.
Taylor and K. Bhatti.
NR 58
TC 2
Z9 2
U1 2
U2 26
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 2016
VL 10
IS 1
BP 938
EP 947
DI 10.1021/acsnano.5b06067
PG 10
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800102
PM 26592896
ER
PT J
AU Wu, X
Zhang, YW
Takle, K
Bilsel, O
Li, ZJ
Lee, H
Zhang, ZJ
Li, DS
Fan, W
Duan, CY
Chan, EM
Lois, C
Xiang, Y
Han, G
AF Wu, Xiang
Zhang, Yuanwei
Takle, Kendra
Bilsel, Osman
Li, Zhanjun
Lee, Hyungseok
Zhang, Zijiao
Li, Dongsheng
Fan, Wei
Duan, Chunying
Chan, Emory M.
Lois, Carlos
Xiang, Yang
Han, Gang
TI Dye-Sensitized Core/Active Shell Upconversion Nanoparticles for
Optogenetics and Bioimaging Applications
SO ACS NANO
LA English
DT Article
DE bioimaging; core/active shell structure; dye-sensitizing; near-infrared;
optogenetics; upconversion nanoparticles
ID IN-VIVO; UPCONVERTING NANOPARTICLES; CORE/SHELL NANOPARTICLES; WIRELESS
OPTOGENETICS; PHOTODYNAMIC THERAPY; 2-PHOTON EXCITATION; DRUG-DELIVERY;
BROAD-BAND; LUMINESCENCE; LIGHT
AB Near-infrared (NIR) dye-sensitized upconversion nanoparticles (UCNPs) can broaden the absorption range and boost upconversion efficiency of UCNPs. Here, we achieved significantly enhanced up conversion luminescence in dye-sensitized core/active shell UCNPs via the doping of ytterbium ions (Yb3+) in the UCNP shell, which bridged the energy transfer from the dye to the UCNP core. As a result, we synergized the two most practical upconversion booster effectors (dye-sensitizing and core/shell enhancement) to amplify upconversion efficiency. We demonstrated two biomedical applications using these UCNPs. By using dye-sensitized core/active shell UCNP embedded poly(methyl methacrylate) polymer implantable systems, we successfully shifted the optogenetic neuron excitation window to a biocompatible and deep tissue penetrable 800 nm wavelength. Furthermore, UCNPs were water-solubilized with Pluronic F127 with high upconversion efficiency and can be imaged in a mouse model.
C1 [Wu, Xiang; Zhang, Yuanwei; Bilsel, Osman; Li, Zhanjun; Lee, Hyungseok; Han, Gang] Univ Massachusetts, Sch Med, Dept Biochem & Mol Pharmacol, Worcester, MA 01605 USA.
[Takle, Kendra; Lois, Carlos; Xiang, Yang] Univ Massachusetts, Sch Med, Dept Neurobiol, Worcester, MA 01605 USA.
[Wu, Xiang; Duan, Chunying] Dalian Univ Technol, State Key Lab Fine Chem, Dalian 116012, Peoples R China.
[Chan, Emory M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Zhang, Zijiao] Zhejiang Univ, Dept Mat Sci & Engn, Hangzhou 310027, Peoples R China.
[Li, Dongsheng] Pacific NW Natl Lab, Mat Sci Phys & Computat Sci Directorate, Richland, WA 99352 USA.
[Fan, Wei] Univ Massachusetts, Dept Chem Engn, Amherst, MA 01003 USA.
RP Han, G (reprint author), Univ Massachusetts, Sch Med, Dept Biochem & Mol Pharmacol, Worcester, MA 01605 USA.
EM gang.han@umassmed.edu
RI Li, Zhanjun/K-3199-2012
FU China Scholarship Council (CSC); Worcester Foundation Mel Cutler Award;
National Institutes of Health [R01MH103133]; Human Frontier Science
Program [RGY-0090/2014]; U.S. Department of Energy [DE-AC02-05CH11231];
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences Early Career Research Program [67037]
FX This research was supported by the China Scholarship Council (CSC) to
X.W., a Worcester Foundation Mel Cutler Award, National Institutes of
Health R01MH103133 to G.H, C.L., and Y.X., Human Frontier Science
Program RGY-0090/2014 to G.H. and Y.X. Quantum yield work (E.M.C.) at
the Molecular Foundry was supported by the U.S. Department of Energy
under Contract No. DE-AC02-05CH11231. D.L. is supported by the U.S.
Department of Energy, Office of Science, Office of Basic Energy Sciences
Early Career Research Program, under Award No. 67037. We also thank Dr.
Shaul Aloni's help in TEM measurements.
NR 43
TC 30
Z9 30
U1 83
U2 219
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 2016
VL 10
IS 1
BP 1060
EP 1066
DI 10.1021/acsnano.5b06383
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800115
PM 26736013
ER
PT J
AU Poyser, CL
Czerniuk, T
Akimov, A
Diroll, BT
Gaulding, EA
Salasyuk, AS
Kent, AJ
Yakovlev, DR
Bayer, M
Murray, CB
AF Poyser, Caroline L.
Czerniuk, Thomas
Akimov, Andrey
Diroll, Benjamin T.
Gaulding, E. Ashley
Salasyuk, Alexey S.
Kent, Anthony J.
Yakovlev, Dmitri R.
Bayer, Manfred
Murray, Christopher B.
TI Coherent Acoustic Phonons in Colloidal Semiconductor Nanocrystal
Superlattices
SO ACS NANO
LA English
DT Article
DE nanocrystal superlattice; colloidal nanoparticles; thin film; acoustic
phonons; speed of sound
ID QUANTUM-DOT; SUPRA-CRYSTALS; SIZE; LIGHT; CDSE; PHOTODETECTORS;
NANOPARTICLES; MICROCRYSTALS; TEMPERATURE; EXCITATION
AB The phonon properties of films fabricated from colloidal semiconductor nanocrystals play a major role in thermal conductance and electron scattering, which govern the principles for building colloidal-based electronics and optics including thermoelectric devices with a high ZT factor. The key point in understanding the phonon properties is to obtain the strength of the elastic bonds formed by organic ligands connecting the individual nanocrystallites. In the case of very weak bonding, the ligands become the bottleneck for phonon transport between infinitively rigid nanocrystals. In the opposite case of strong bonding, the colloids cannot be considered as infinitively rigid beads and the distortion of the superlattice caused by phonons includes the distortion of the colloids themselves. We use the picosecond acoustics technique to study the acoustic coherent phonons in superlattices of nanometer crygtalline CdSe colloids. We observe the quantization of phonons with frequencies up to 30 GHz. The frequencies of quantized phonons depend on the thickness of the colloidal films and possess linear phonon dispersion. The measured speed of sound and corresponding wave modulus in the colloidal films point on the strong elastic coupling provided by organic ligands between colloidal nanocrystals.
C1 [Poyser, Caroline L.; Akimov, Andrey; Kent, Anthony J.] Univ Nottingham, Sch Phys & Astron, Nottingham NG7 2RD, England.
[Czerniuk, Thomas; Yakovlev, Dmitri R.; Bayer, Manfred] TU Dortmund, Expt Phys 2, D-44227 Dortmund, Germany.
[Diroll, Benjamin T.; Murray, Christopher B.] Univ Penn, Dept Chem, Philadelphia, PA 19104 USA.
[Gaulding, E. Ashley; Murray, Christopher B.] Univ Penn, Dept Mat Sci & Engn, 3231 Walnut St, Philadelphia, PA 19104 USA.
[Salasyuk, Alexey S.; Yakovlev, Dmitri R.; Bayer, Manfred] Russian Acad Sci, Ioffe Phys Tech Inst, St Petersburg 194021, Russia.
[Diroll, Benjamin T.] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Akimov, A (reprint author), Univ Nottingham, Sch Phys & Astron, Nottingham NG7 2RD, England.
EM andrey.akimov@nottingham.ac.uk
OI Poyser, Caroline/0000-0001-8228-8025
FU Department of Energy, Office of Basic Sciences, Division of Materials
Science [DE-SC0002158]; Deutsche Forschungsgemeinschaft [BA 1549/14-1];
German Ministry of Education and Research (BMBF) [FKZ: 05K13PE1];
Government of Russia [14.B25.31.0025]
FX We acknowledge Al. L. Efros, A. L. Efros, A. V. Scherbakov, and B. A.
Glavin for useful discussions. The work was partially supported by the
Department of Energy, Office of Basic Sciences, Division of Materials
Science (Award No. DE-SC0002158), Deutsche Forschungsgemeinschaft (BA
1549/14-1), and German Ministry of Education and Research (BMBF) (FKZ:
05K13PE1). A.S.S. thanks the Government of Russia for support through
Program P220 (Grant No. 14.B25.31.0025)
NR 56
TC 8
Z9 8
U1 6
U2 43
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 2016
VL 10
IS 1
BP 1163
EP 1169
DI 10.1021/acsnano.5b06465
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800128
PM 26696021
ER
PT J
AU Luo, LL
Zhao, BL
Xiang, B
Wang, CM
AF Luo, Langli
Zhao, Benliang
Xiang, Bin
Wang, Chong-Min
TI Size-Controlled Intercalation-to-Conversion Transition in Lithiation of
Transition-Metal Chalcogenides-NbSe3
SO ACS NANO
LA English
DT Article
DE transition-metal chalcogenides (TMCs); Li ion batteries; in situ TEM;
NbSe3; intercalation; conversion
ID ION BATTERY APPLICATIONS; MOLYBDENUM-DISULFIDE MOS2; LITHIUM BATTERIES;
TIS2 CATHODES; STORAGE; ELECTRODES; NANOSHEETS; GRAPHENE; NBSE3; LI
AB Transition-metal chalcogenides (TMCs) can be used either as intercalation cathodes or as conversion type anodes for lithium ion batteries, for which two distinctively different lithiation reaction mechanisms govern the electrochemical performance of TMCs. However, the factors that control the transition of lithiation mechanisms remain elusive. In this work, we investigated the lithiation process of NbSe3 ribbons using in situ transmission electron microscopy and observed a size-dependent transition from intercalation to the conversion reaction. Large NbSe3 ribbons can accommodate high concentrations of Li+ through intercalation by relaxing their internal spacing, while lithiation of small NbSe3 ribbons proceeds readily to full conversion. We found that the size-dependent variation of the lithiation mechanism is associated with both Le diffusion in NbSe3 and the accommodation of newly formed phases. For large NbSe3 ribbons, the intercalation-to conversion transition is impeded by both long-range Le diffusion and large-scale accommodation of volume expansion induced by the formation of new phases. These results demonstrate the inherent structural instability of NbSe3 as an intercalation cathode and its high lithiation rate as a promising conversion-type anode.
C1 [Luo, Langli; Wang, Chong-Min] Pacific NW Natl Lab, Environm Mol Sci Lab, 902 Battelle Blvd, Richland, WA 99352 USA.
[Zhao, Benliang; Xiang, Bin] Univ Sci & Technol China, Chinese Acad Sci, Dept Mat Sci & Engn, Key Lab Mat Energy Convers, 96 Jinzhai Rd, Hefei 230026, Anhui, Peoples R China.
RP Wang, CM (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, 902 Battelle Blvd, Richland, WA 99352 USA.; Xiang, B (reprint author), Univ Sci & Technol China, Chinese Acad Sci, Dept Mat Sci & Engn, Key Lab Mat Energy Convers, 96 Jinzhai Rd, Hefei 230026, Anhui, Peoples R China.
EM binxiang@ustc.edu.cn; Chongmin.Wang@pnnl.gov
RI Xiang, Bin/C-9192-2012; Luo, Langli/B-5239-2013;
OI Luo, Langli/0000-0002-6311-051X
FU Office of Vehicle Technologies, U.S. Department of Energy (DOE) under
the Advanced Batteries Materials Research (BMR) Program
[DE-AC02-05CH11231, 18769, DE-AC-36-08GO28308]; Laboratory Directed
Research and Development Program as part of the Chemical Imaging
Initiative at PNNL; DOE's Office of Biological and Environmental
Research; DOE [DE-AC05-76RLO1830]; National Natural Science Foundation
of China [21373196]
FX This work at Pacific Northwest National Laboratory (PNNL) was supported
by the Assistant Secretary for Energy Efficiency and Renewable Energy,
Office of Vehicle Technologies, U.S. Department of Energy (DOE), under
Contracts DE-AC02-05CH11231, Subcontract 18769, and DE-AC-36-08GO28308
under the Advanced Batteries Materials Research (BMR) Program. The in
situ microscopic study described in this paper was supported by the
Laboratory Directed Research and Development Program as part of the
Chemical Imaging Initiative at PNNL. The 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. B.X.
acknowledges support from the National Natural Science Foundation of
China (21373196).
NR 29
TC 2
Z9 2
U1 15
U2 72
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 2016
VL 10
IS 1
BP 1249
EP 1255
DI 10.1021/acsnano.5b06614
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800138
PM 26593677
ER
PT J
AU Sabbi, E
Lennon, DJ
Anderson, J
Cignoni, M
van der Marel, RP
Zaritsky, D
De Marchi, G
Panagia, N
Gouliermis, DA
Grebel, EK
Gallagher, JS
Smith, LJ
Sana, H
Aloisi, A
Tosi, M
Evans, CJ
Arab, H
Boyer, M
de Mink, SE
Gordon, K
Koekemoer, AM
Larsen, SS
Ryon, JE
Zeidler, P
AF Sabbi, E.
Lennon, D. J.
Anderson, J.
Cignoni, M.
van der Marel, R. P.
Zaritsky, D.
De Marchi, G.
Panagia, N.
Gouliermis, D. A.
Grebel, E. K.
Gallagher, J. S., III
Smith, L. J.
Sana, H.
Aloisi, A.
Tosi, M.
Evans, C. J.
Arab, H.
Boyer, M.
de Mink, S. E.
Gordon, K.
Koekemoer, A. M.
Larsen, S. S.
Ryon, J. E.
Zeidler, P.
TI HUBBLE TARANTULA TREASURY PROJECT. III. PHOTOMETRIC CATALOG AND
RESULTING CONSTRAINTS ON THE PROGRESSION OF STAR FORMATION IN THE 30
DORADUS REGION
SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES
LA English
DT Article
DE catalogs; galaxies: star clusters: individual (30 Doradus); Magellanic
Clouds; stars: formation; stars: imaging; stars: pre-main sequence
ID LARGE-MAGELLANIC-CLOUD; INITIAL MASS FUNCTION; GRAVITATIONAL LENSING
EXPERIMENT; SUPERNOVA REMNANT N157B; GALAXY EVOLUTION SAGE; ALL-SKY
SURVEY; M-CIRCLE-DOT; SPACE-TELESCOPE; LUMINOSITY FUNCTION;
INTERSTELLAR-MEDIUM
AB We present and describe the astro-photometric catalog of more than 800,000 sources found in the Hubble Tarantula Treasury Project (HTTP). HTTP is a Hubble Space Telescope Treasury program designed to image the entire 30 Doradus region down to the sub-solar (similar to 0.5M(circle dot)) mass regime using the Wide Field Camera 3 and the Advanced Camera for Surveys. We observed 30 Doradus in the near-ultraviolet (F275W, F336W), optical (F555W, F658N, F775W), and near-infrared (F110W, F160W) wavelengths. The stellar photometry was measured using point-spread function fitting across all. bands simultaneously. The relative astrometric accuracy of the catalog is 0.4 mas. The astro-photometric catalog, results from artificial star experiments, and the mosaics for all the filters are available for download. Color-magnitude diagrams are presented showing the spatial distributions and ages of stars within 30 Dor as well as in the surrounding fields. HTTP provides the first rich and statistically significant sample of intermediate-and low-mass pre-main sequence candidates and allows us to trace how star formation has been developing through the region. The depth and high spatial resolution of our analysis highlight the dual role of stellar feedback in quenching and triggering star formation on the giant H II region scale. Our results are consistent with stellar sub-clustering in a partially filled gaseous nebula that is offset toward our side of the Large Magellanic Cloud.
C1 [Sabbi, E.; Anderson, J.; Cignoni, M.; van der Marel, R. P.; Panagia, N.; Sana, H.; Aloisi, A.; Arab, H.; Gordon, K.; Koekemoer, A. M.] Space Telescope Sci Inst, 3700 San Martin Dr, Baltimore, MD 21218 USA.
[Lennon, D. J.] ESA European Space Astron Ctr, Apdo Correo 78, E-28691 Madrid, Spain.
[Zaritsky, D.] Univ Arizona, Steward Observ, 933 North Cherry Ave, Tucson, AZ 85721 USA.
[De Marchi, G.] European Space Agcy, Dept Space Sci, Keplerlaan 1, NL-2200 AG Noordwijk, Netherlands.
[Panagia, N.] Osserv Astrofis Catania, Ist Nazl Astrofis, Via Santa Sofia 78, I-95123 Catania, Italy.
[Panagia, N.] Supernova Ltd, OYV 131,Northsound Rd, Virgin Gorda, British Virgin, England.
[Gouliermis, D. A.] Heidelberg Univ, Zentrum Astron, Inst Theoret Astrophys, Albert Ueberle Str 2, D-69120 Heidelberg, Germany.
[Gouliermis, D. A.] Max Planck Inst Astron, Konigstuhl 17, D-69117 Heidelberg, Germany.
[Grebel, E. K.; Zeidler, P.] Heidelberg Univ, Zentrum Astron, Astron Rechen Inst, Monchhofstr 12-14, D-69120 Heidelberg, Germany.
[Gallagher, J. S., III; Ryon, J. E.] Univ Wisconsin, Dept Astron, 475 N Charter St, Madison, WI 53706 USA.
[Smith, L. J.] ESA STScI, 3700 San Martin Dr, Baltimore, MD 21218 USA.
[Tosi, M.] Osservatorio Astron Bologna, Ist Nazl Astrofis, Via Ranzani 1, I-40127 Bologna, Italy.
[Evans, C. J.] Royal Observ, UK Astron Technol Ctr, Blackford Hill, Edinburgh EH9 3HJ, Midlothian, Scotland.
[Boyer, M.] NASA, Goddard Space Flight Ctr, Observat Cosmol Lab, Code 665, Greenbelt, MD 20771 USA.
[Boyer, M.] Oak Ridge Associated Univ, Oak Ridge, TN 37831 USA.
[de Mink, S. E.] Univ Amsterdam, Astron Inst Anton Pannekoek, POB 94249, NL-1090 GE Amsterdam, Netherlands.
[Larsen, S. S.] Radboud Univ Nijmegen, Dept Astrophys IMAPP, POB 9010, NL-6500 GL Nijmegen, Netherlands.
RP Sabbi, E (reprint author), Space Telescope Sci Inst, 3700 San Martin Dr, Baltimore, MD 21218 USA.
EM sabbi@stsci.edu
RI Cignoni, Michele/J-9365-2016; Tosi, Monica/O-9377-2015; Sana,
Hugues/B-2664-2013;
OI Cignoni, Michele/0000-0001-6291-6813; Tosi, Monica/0000-0002-0986-4759;
Sana, Hugues/0000-0001-6656-4130; de Mink, Selma/0000-0001-9336-2825;
Lennon, Daniel/0000-0003-3063-4867; /0000-0002-1891-3794; Koekemoer,
Anton/0000-0002-6610-2048
FU NASA [NAS 5-26555]; NASA through grants from the Space Telescope Science
Institute [12499, 12939]; German Research Foundation (DFG) [GO 1659/3-2,
SFB 881, B5]; European Commission [H2020-MSCA-IF-2014, 661502]; Italian
MIUR [PRIN-MIUR 2010LY5N2T]
FX We thank the anonymous referee for the thorough review and highly
appreciate the comments and suggestions. which significantly contributed
to improving the quality of this paper. We thank Karen Levay and the
MAST HLSP Team at STScI for their invaluable help in releasing to the
astronomical community all the high level science products associated
with HTTP. Based on observations with the NASA/ESA Hubble Space
Telescope, obtained at the Space Telescope Science Institute, which is
operated by AURA Inc., under NASA contract NAS 5-26555. These
observations were associated with Programs 12499 and 12939. Support for
both Programs 12499 and 12939 was provided by NASA through grants from
the Space Telescope Science Institute. D.A.G. kindly acknowledges
financial support by the German Research Foundation (DFG) through grant
GO 1659/3-2. S.d.M. acknowledges support by the European Commission,
grant H2020-MSCA-IF-2014, project ID 661502. M.T. was partially funded
by the Italian MIUR through the grant PRIN-MIUR 2010LY5N2T. E.K.G.
acknowledges support by Sonderforschungsbereich SFB 881 "The Milky Way
System" of the German Research Foundation (DFG), particularly subproject
B5.
NR 94
TC 4
Z9 4
U1 2
U2 4
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0067-0049
EI 1538-4365
J9 ASTROPHYS J SUPPL S
JI Astrophys. J. Suppl. Ser.
PD JAN
PY 2016
VL 222
IS 1
AR 11
DI 10.3847/0067-0049/222/1/11
PG 25
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA DC1NF
UT WOS:000368982300011
ER
PT J
AU Sanbonmatsu, KY
AF Sanbonmatsu, Karissa Y.
TI Towards structural classification of long non-coding RNAs
SO BIOCHIMICA ET BIOPHYSICA ACTA-GENE REGULATORY MECHANISMS
LA English
DT Article
DE RNA; Long non-coding RNA; Non-coding RNA; RNA structure; RNA
biochemistry
ID STEROID-RECEPTOR RNA; X-CHROMOSOME INACTIVATION; SECONDARY STRUCTURE
MODEL; GENOME-WIDE MEASUREMENT; GENE-EXPRESSION; S-ADENOSYLMETHIONINE;
NUCLEAR PARASPECKLES; BINDING-PROTEINS; ACTIVATOR SRA; RIBOSOMAL-RNA
AB While long non-coding RNAs play key roles in disease and development, few structural studies have been performed to date for this emerging class of RNAs. Previous structural studies are reviewed, and a pipeline is presented to determine secondary structures of long non-coding RNAs. Similar to riboswitches, experimentally determined secondary structures of long non-coding RNAs for one species, may be used to improve sequence/structure alignments for other species. As riboswitches have been classified according to their secondary structure, a similar scheme could be used to classify long non-coding RNAs. This article is part of a Special Issue titled: Clues to long noncoding RNA taxonomy1, edited by Dr. Tetsuro Hirose and Dr. Shinichi Nakagawa. (C) 2015 Published by Elsevier B.V.
C1 [Sanbonmatsu, Karissa Y.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
RP Sanbonmatsu, KY (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM kys@lanl.gov
FU United States Department of Energy [W-740- ENG-36]; LDRD program at Los
Alamos National Laboratory
FX This work was performed under the auspices of the United States
Department of Energy under contract W-740- ENG-36 and the LDRD program
at Los Alamos National Laboratory.
NR 72
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Z9 3
U1 1
U2 10
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1874-9399
EI 0006-3002
J9 BBA-GENE REGUL MECH
JI Biochim. Biophys. Acta-Gene Regul. Mech.
PD JAN
PY 2016
VL 1859
IS 1
BP 41
EP 45
DI 10.1016/j.bbagrm.2015.09.011
PG 5
WC Biochemistry & Molecular Biology; Biophysics
SC Biochemistry & Molecular Biology; Biophysics
GA DB8DQ
UT WOS:000368747600006
PM 26537437
ER
PT J
AU Tan, ECD
Talmadge, M
Dutta, A
Hensley, J
Snowden-Swan, LJ
Humbird, D
Schaidle, J
Biddy, M
AF Tan, Eric C. D.
Talmadge, Michael
Dutta, Abhijit
Hensley, Jesse
Snowden-Swan, Lesley J.
Humbird, David
Schaidle, Joshua
Biddy, Mary
TI Conceptual process design and economics for the production of
high-octane gasoline blendstock via indirect liquefaction of biomass
through methanol/dimethyl ether intermediates
SO BIOFUELS BIOPRODUCTS & BIOREFINING-BIOFPR
LA English
DT Article
DE biomass; thermochemical conversion; indirect gasification; dimethyl
ether homologation; high-octane gasoline; process design;
techno-economic analysis; sustainability
ID DIMETHYL ETHER; PILOT-SCALE; METHANOL
AB This work describes in detail one potential conversion process for the production of high-octane gasoline blendstock via indirect liquefaction of biomass. The processing steps of this pathway include the conversion of biomass to synthesis gas via indirect gasification, gas clean-up via reforming of tars and other hydrocarbons, catalytic conversion of syngas to methanol, methanol dehydration to dimethyl ether (DME), and the homologation of DME over a zeolite catalyst to high-octane gasoline-range hydrocarbon products. The current process configuration has similarities to conventional methanol-to-gasoline (MTG) technologies, but there are key distinctions, specifically regarding the product slate, catalysts, and reactor conditions. A techno-economic analysis is performed to investigate the production of high-octane gasoline blendstock. The design features a processing daily capacity of 2000 tonnes (2205 short tons) of dry biomass. The process yields 271 liters of liquid fuel per dry tonne of biomass (65 gal/dry ton), for an annual fuel production rate of 178 million liters (47 MM gal) at 90% on-stream time. The estimated total capital investment for an n(th)-plant is $438 million. The resulting minimum fuel selling price (MFSP) is $0.86 per liter or $3.25 per gallon in 2011 US dollars. A rigorous sensitivity analysis captures uncertainties in costs and plant performance. Sustainability metrics for the conversion process are quantified and assessed. The potential premium value of the high-octane gasoline blendstock is examined and found to be at least as competitive as fossil-derived blendstocks. A simple blending strategy is proposed to demonstrate the potential for blending the biomass-derived blendstock with petroleum-derived intermediates. Published 2015. This article is a U.S. Government work and is in the public domain in the USA. Biofuels, Bioproducts and Biorefining published by Society of Industrial Chemistry and John Wiley & Sons Ltd.
C1 [Tan, Eric C. D.; Talmadge, Michael; Dutta, Abhijit; Hensley, Jesse; Schaidle, Joshua; Biddy, Mary] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
[Snowden-Swan, Lesley J.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Humbird, David] DWH Proc Consulting LLC, Centennial, CO USA.
RP Tan, ECD (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM eric.tan@nrel.gov
FU US Department of Energy's Biomass Program [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's Biomass
Program, 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. We thank Jeff Ross, Danielle Sexton, Raymond Yap, and
John Lukas at Harris Group Inc., for help in some equipment cost
estimation and process flow diagram.
NR 39
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U1 10
U2 29
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 2016
VL 10
IS 1
BP 17
EP 35
DI 10.1002/bbb.1611
PG 19
WC Biotechnology & Applied Microbiology; Energy & Fuels
SC Biotechnology & Applied Microbiology; Energy & Fuels
GA DB9MI
UT WOS:000368839900012
ER
PT J
AU Sokhansanj, S
Webb, E
AF Sokhansanj, Shahab
Webb, Erin
TI Evaluating industrial drying of cellulosic feedstock for bioenergy: a
systems approach
SO BIOFUELS BIOPRODUCTS & BIOREFINING-BIOFPR
LA English
DT Article
DE bioenergy feedstocks; biomass dryers; biomass burners; moisture content;
humidity ratio; heat energy; drying costs; heat recycling
ID BIOMASS; TECHNOLOGIES
AB A large portion of herbaceous and woody biomass must be dried following harvest. Natural field drying is possible if the weather cooperates. Mechanical drying is a certain way of reducing the moisture content of biomass. This paper presents an engineering analysis applied to drying of 10 Mg h(-1) (exit mass flow) of biomass with an initial moisture content ranging from 25% to 70% (wet mass basis) down to 10% exit moisture content. The requirement for hog fuel to supply heat to the dryer increases from 0.5 dry Mg to 3.8 dry Mg h(-1) with the increased initial moisture of biomass. The capital cost for the entire drying system including equipment for biomass size reduction, pollution control, dryer, and biomass combustor sums up to more than $4.7 million. The operating cost (electricity, labor, repair, and maintenance) minus fuel cost for the dryer alone amount to 4.05 Mg-1 of dried biomass. For 50% moisture content biomass, the cost of fuel to heat the drying air is $7.41/ dry ton of biomass for a total $11.46 per dry ton at 10% moisture content. The fuel cost ranges from a low of $2.21 to a high of $18.54 for a biomass at an initial moisture content of 25% to 75%, respectively. This wide range in fuel cost indicates the extreme sensitivity of the drying cost to initial moisture content of biomass and to ambient air humidity and temperature and highlights the significance of field drying for a cost effective drying operation. (c) 2016 Society of Chemical Industry and John Wiley & Sons, Ltd
C1 [Sokhansanj, Shahab; Webb, Erin] Oak Ridge Natl Lab, Div Environm Sci, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
RP Sokhansanj, S (reprint author), Oak Ridge Natl Lab, Div Environm Sci, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM sokhansanjs@ornl.gov
FU Bioenergy Technology Office of the US Department of the Energy's Energy
Efficiency and Renewable Energy
FX The Bioenergy Technology Office of the US Department of the Energy's
Energy Efficiency and Renewable Energy supported and funded this study.
The authors gratefully acknowledge Deborah Counce for assistance with
editing and formatting this report.
NR 19
TC 0
Z9 0
U1 2
U2 6
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 2016
VL 10
IS 1
BP 47
EP 55
DI 10.1002/bbb.1619
PG 9
WC Biotechnology & Applied Microbiology; Energy & Fuels
SC Biotechnology & Applied Microbiology; Energy & Fuels
GA DB9MI
UT WOS:000368839900014
ER
PT J
AU Zhang, YM
Heath, G
Carpenter, A
Fisher, N
AF Zhang, Yimin
Heath, Garvin
Carpenter, Alberta
Fisher, Noah
TI Air pollutant emissions inventory of large-scale production of selected
biofuels feedstocks in 2022
SO BIOFUELS BIOPRODUCTS & BIOREFINING-BIOFPR
LA English
DT Article
DE biomass; bioenergy; sustainability; air quality; second-generation
ID UNITED-STATES; QUALITY IMPACTS; GASOLINE; ETHANOL
AB For climate protection and energy security reasons, biofuels are proposed to replace a significant fraction of fossil transportation fuel. Recognition of differences in production pathways between biofuels and fossil fuels has motivated an emerging literature that considers air quality and human health impacts of potential changes to the magnitude, location, timing, and type of air pollutants emitted. To inform research and development of advanced biofuel production systems as well as air quality management decisions, we have developed a highly resolved inventory of air pollutant emissions for a baseline scenario of current and future US biofuel feedstock production systems using data from recent research. We find that in most US counties, production of cellulosic biofuel feedstocks using advanced practices exhibits lower air pollutant emissions than current corn grain production. An analysis of the contributing sources to each of the seven evaluated air pollutants helps identify emission reduction opportunities. Compared to the 2008 National Emissions Inventory, production of cellulosic biofuel feedstocks to meet regulatory requirements in 2022 typically represents small increments of air emissions, though for certain pollutants and counties, a threshold may be reached whereby further examination may be warranted to ensure air quality standards can be achieved. Given that the advanced biofuel supply chain system is in its infancy, considerable opportunities exist to minimize adverse impacts while maximizing the benefits of advanced biofuels. This analysis enables more informed technology development decisions and identification of mitigation opportunities in the biofuel feedstock production stage. (c) 2015 Society of Chemical Industry and John Wiley & Sons, Ltd
C1 [Zhang, Yimin; Heath, Garvin; Carpenter, Alberta] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Fisher, Noah] Natl Renewable Energy Lab, Technol Syst & Sustainabil Anal Grp, Golden, CO 80401 USA.
RP Heath, G (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM Garvin.Heath@nrel.gov
FU US Department of Energy's Bioenergy Technologies Office
[DE-AC36-08-GO28308]; National Renewable Energy Laboratory
FX Funding for this project was provided by the US Department of Energy's
Bioenergy Technologies Office under Contract No. DE-AC36-08-GO28308 with
the National Renewable Energy Laboratory. The authors appreciate the
feedback and contributions from Chris Tessum, Jason Hill, and Julian
Marshall (University of Minnesota); Jacob Jacobson (Idaho National
Laboratory); Laurence Eaton and Anthony Turhollow (Oak Ridge National
Laboratory); Chad Hellwinckel (University of Tennessee); and Michael
Wang (Argonne National Laboratory).
NR 43
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U1 4
U2 20
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 2016
VL 10
IS 1
BP 56
EP 69
DI 10.1002/bbb.1620
PG 14
WC Biotechnology & Applied Microbiology; Energy & Fuels
SC Biotechnology & Applied Microbiology; Energy & Fuels
GA DB9MI
UT WOS:000368839900015
ER
PT J
AU Neumann, RB
Blazewicz, SJ
Conaway, CH
Turetsky, MR
Waldrop, MP
AF Neumann, Rebecca B.
Blazewicz, Steven J.
Conaway, Christopher H.
Turetsky, Merritt R.
Waldrop, Mark P.
TI Modeling CH4 and CO2 cycling using porewater stable isotopes in a
thermokarst bog in Interior Alaska: results from three conceptual
reaction networks
SO BIOGEOCHEMISTRY
LA English
DT Article
DE Carbon fluxes; Homoacetogenesis; Methanogenesis; Methanotrophy;
Microbial rates; Peat; Model; (CO2)-C-13; (CH4)-C-13; Carbon isotopes
ID NORTH CENTRAL ALBERTA; NEW-HAMPSHIRE WETLAND; CAREX DOMINATED FEN;
METHANE PRODUCTION; CARBON ISOTOPES; ORGANIC-MATTER; METHANOGENIC
ARCHAEA; PEATLAND ECOSYSTEMS; LOW-TEMPERATURE; PERMAFROST
AB Quantifying rates of microbial carbon transformation in peatlands is essential for gaining mechanistic understanding of the factors that influence methane emissions from these systems, and for predicting how emissions will respond to climate change and other disturbances. In this study, we used porewater stable isotopes collected from both the edge and center of a thermokarst bog in Interior Alaska to estimate in situ microbial reaction rates. We expected that near the edge of the thaw feature, actively thawing permafrost and greater abundance of sedges would increase carbon, oxygen and nutrient availability, enabling faster microbial rates relative to the center of the thaw feature. We developed three different conceptual reaction networks that explained the temporal change in porewater CO2, CH4, delta C-13-CO2 and delta C-13-CH4. All three reaction-network models included methane production, methane oxidation and CO2 production, and two of the models included homoacetogenesis-a reaction not previously included in isotope-based porewater models. All three models fit the data equally well, but rates resulting from the models differed. Most notably, inclusion of homoacetogenesis altered the modeled pathways of methane production when the reaction was directly coupled to methanogenesis, and it decreased gross methane production rates by up to a factor of five when it remained decoupled from methanogenesis. The ability of all three conceptual reaction networks to successfully match the measured data indicate that this technique for estimating in situ reaction rates requires other data and information from the site to confirm the considered set of microbial reactions. Despite these differences, all models indicated that, as expected, rates were greater at the edge than in the center of the thaw bog, that rates at the edge increased more during the growing season than did rates in the center, and that the ratio of acetoclastic to hydrogenotrophic methanogenesis was greater at the edge than in the center. In both locations, modeled rates (excluding methane oxidation) increased with depth. A puzzling outcome from the effort was that none of the models could fit the porewater dataset without generating "fugitive" carbon (i.e., methane or acetate generated by the models but not detected at the field site), indicating that either our conceptualization of the reactions occurring at the site remains incomplete or our site measurements are missing important carbon transformations and/or carbon fluxes. This model-data discrepancy will motivate and inform future research efforts focused on improving our understanding of carbon cycling in permafrost wetlands.
C1 [Neumann, Rebecca B.] Univ Washington, Dept Civil & Environm Engn, Seattle, WA 98195 USA.
[Blazewicz, Steven J.; Conaway, Christopher H.; Waldrop, Mark P.] US Geol Survey, 345 Middlefield Rd, Menlo Pk, CA 94025 USA.
[Turetsky, Merritt R.] Univ Guelph, Dept Integrat Biol, Guelph, ON N1G 2W1, Canada.
[Blazewicz, Steven J.] Lawrence Livermore Natl Lab, Livermore, CA USA.
RP Neumann, RB (reprint author), Univ Washington, Dept Civil & Environm Engn, Seattle, WA 98195 USA.
EM rbneum@uw.edu
FU U.S. Department of Energy, Office of Science, Office of Biological and
Environmental Research [DE-SC-0010338]; U.S. National Aeronautics and
Space Administration NASA [NNX11AR16G]; USGS Climate Science Center;
USGS Mendenhall Postdoctoral Fellowship program; Bonanza Creek LTER
Program; NSF [DEB 1026415]; USDA Forest Service, Pacific Northwest
Research Station [PNW01-JV112619320-16]; USGS Climate and Land RD
Program
FX We thank Julie Shoemaker for input and advice on the reaction network
modeling; Burt Thomas for input and advice on the peeper method; Monica
Haw, Torren Campbell and Sabrina Sevilgen for laboratory assistance;
Lily Cohen and Sarah Wood for field assistance; Jack McFarland for
sharing oxygen data; Eugenie Euskirchen, Jennifer Harden, and David
McGuire for their participation in the APEX research program; and Jeff
Chanton, Larry Miller and an anonymous reviewer for input that improved
the manuscript. This material is based upon work supported, in part, by
the U.S. Department of Energy, Office of Science, Office of Biological
and Environmental Research under Award Number DE-SC-0010338; the U.S.
National Aeronautics and Space Administration NASA grant NNX11AR16G; the
USGS Climate Science Center and USGS Climate and Land R&D Program; and
the USGS Mendenhall Postdoctoral Fellowship program. Research
Experiences for Undergraduates (REU) funding and considerable logistic
support were provided by the Bonanza Creek LTER Program, which is
jointly funded by NSF (DEB 1026415) and the USDA Forest Service, Pacific
Northwest Research Station (PNW01-JV112619320-16). Any use of trade
names is for descriptive purposes only and does not imply endorsement by
the U.S. Government. Data used in this publication are available on the
Bonanza Creek LTER website (www.lter.uaf.edu/data.cfm).
NR 74
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U1 9
U2 32
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0168-2563
EI 1573-515X
J9 BIOGEOCHEMISTRY
JI Biogeochemistry
PD JAN
PY 2016
VL 127
IS 1
BP 57
EP 87
DI 10.1007/s10533-015-0168-2
PG 31
WC Environmental Sciences; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA DB7UT
UT WOS:000368722700005
ER
PT J
AU Hines, WC
Kuhn, I
Thi, K
Chu, B
Stanford-Moore, G
Sampayo, R
Garbe, JC
Stampfer, M
Borowsky, AD
Bissell, MJ
AF Hines, William C.
Kuhn, Irene
Thi, Kate
Chu, Berbie
Stanford-Moore, Gaelen
Sampayo, Rocio
Garbe, James C.
Stampfer, Martha
Borowsky, Alexander D.
Bissell, Mina J.
TI 184AA3: a xenograft model of ER breast adenocarcinoma
SO BREAST CANCER RESEARCH AND TREATMENT
LA English
DT Article
DE Luminal breast cancer models; Xenograft; Intratumoral heterogeneity;
Microenvironment
ID MAMMARY EPITHELIAL-CELLS; CANCER CELLS; TUMOR HETEROGENEITY;
IDENTIFICATION; GROWTH; LINES; MULTIPOTENCY; METASTASIS; DISEASE
AB Despite the prevalence and significant morbidity resulting from estrogen receptor positive (ER+) breast adenocarcinomas, there are only a few models of this cancer subtype available for drug development and arguably none for studying etiology. Those models that do exist have questionable clinical relevance. Given our goal of developing luminal models, we focused on six cell lines derived by minimal mutagenesis from normal human breast cells, and asked if any could generate clinically relevant xenografts, which we then extensively characterized. Xenografts of one cell line, 184AA3, consistently formed ER+ adenocarcinomas that had a high proliferative rate and other features consistent with "luminal B" intrinsic subtype. Squamous and spindle cell/mesenchymal differentiation was absent, in stark contrast to other cell lines that we examined or others have reported. We explored intratumoral heterogeneity produced by 184AA3 by immunophenotyping xenograft tumors and cultured cells, and characterized marker expression by immunofluorescence and flow cytometry. A CD44111gh subpopulation was discovered, yet their tumor forming ability was far less than CD44(Low) cells. Single cell cloning revealed the phenotypic plasticity of 184AA3, consistent with the intratumoral heterogeneity observed in xenografts. Characterization of ER expression in cultures revealed ER protein and signaling is intact, yet when estrogen was depleted in culture, and in vivo, it did not impact cell or tumor growth, analogous to therapeutically resistant ER+ cancers. This model is appropriate for studies of the etiology of ovarian hormone independent adenocarcinomas, for identification of therapeutic targets, predictive testing, and drug development.
C1 [Hines, William C.; Kuhn, Irene; Thi, Kate; Chu, Berbie; Stanford-Moore, Gaelen; Garbe, James C.; Stampfer, Martha; Bissell, Mina J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Mailstop 977R225A,1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Sampayo, Rocio] Inst Oncol Angel H Roffo UBA, Area Invest, Buenos Aires, DF, Argentina.
[Borowsky, Alexander D.] Univ Calif Davis, Dept Pathol & Lab Med, Davis, CA 95616 USA.
[Borowsky, Alexander D.] Univ Calif Davis, Ctr Comparat Med, Davis, CA 95616 USA.
RP Hines, WC; Bissell, MJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Mailstop 977R225A,1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM CHines@LBL.GOV; MJBissell@LBL.GOV
FU U.S. Department of Defense [W81XWH0810736, W81XWH12M9532]; National
Cancer Institute [R37CA064786, R01CA140663, U54CA112970]; U.S.
Department of Energy, Office of Biological and Environmental Research
and Low Dose Scientific Focus Area [DE-AC02-05CH1123]; Breast Cancer
Research Foundation
FX For their invaluable technical assistance during this project, we thank
Maria Rojec, Dinah Groesser, Alvin Lo, Sun Young Lee, Xuefei Tian, and
Eva Lee (Lawrence Berkeley National Laboratory). We appreciate also the
expertise and help given by Judith Walls and Ed Hubbard (University of
California, Davis Center for Comparative Medicine). We express special
gratitude also to Michelle Scott of the LBNL flow cytometry and Advanced
microscopy facility for her expert technical advice and assistance.
Grant support: Innovator award to M.J.B. from the U.S. Department of
Defense (W81XWH0810736 and W81XWH12M9532) and in part by National Cancer
Institute awards (R37CA064786, R01CA140663, U54CA112970) and by grants
from the U.S. Department of Energy, Office of Biological and
Environmental Research and Low Dose Scientific Focus Area (Contract No.
DE-AC02-05CH1123) and the Breast Cancer Research Foundation. The funders
had no role in the study design, data collection and analysis, decision
to publish, or preparation of the manuscript.
NR 42
TC 0
Z9 0
U1 2
U2 2
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0167-6806
EI 1573-7217
J9 BREAST CANCER RES TR
JI Breast Cancer Res. Treat.
PD JAN
PY 2016
VL 155
IS 1
BP 37
EP 52
DI 10.1007/s10549-015-3649-z
PG 16
WC Oncology
SC Oncology
GA DC1VB
UT WOS:000369004200005
PM 26661596
ER
PT J
AU Li, HY
Meng, B
Chai, SH
Liu, HL
Dai, S
AF Li, Haiying
Meng, Bo
Chai, Song-Hai
Liu, Honglai
Dai, Sheng
TI Hyper-crosslinked beta-cyclodextrin porous polymer: an
adsorption-facilitated molecular catalyst support for transformation of
water-soluble aromatic molecules
SO CHEMICAL SCIENCE
LA English
DT Article
ID FUNCTIONALIZED MESOPOROUS SILICA; ORGANIC POLYMERS; P-NITROPHENOL;
WASTE-WATER; REDUCTION; REMOVAL; NANOCOMPOSITES; 4-NITROPHENOL;
NANOPARTICLES; SEPARATION
AB A hyper-crosslinked beta-cyclodextrin porous polymer (BnCD-HCPP) was designed and synthesized facilely by beta-cyclodextrin benzylation and subsequent crosslinking via a Friedel-Crafts alkylation route. The BnCD-HCPP shows an extremely high BET surface area, large pore volume, and high thermal stability, making it a highly efficient adsorbent for removal of aromatic pollutants from water. The adsorption efficiency in terms of distribution coefficient, defined as the ratio of adsorption capacity to equilibrium adsorbate concentration, ranged from 103 to 106 mL g(-1) within a concentration of 0-100 ppm, one order of magnitude higher than that of other beta-cyclodextrin-based adsorbents reported previously. The molar percentage of adsorbate to beta-cyclodextrin exceeded 300%, suggesting that the adsorption occurred not only in the cyclodextrin cavities via a 1 : 1 complexation, but also in the nanopores of the BnCD-HCPP created during the hyper-crosslinking. The BnCD-HCPP can be further functionalized by incorporation of gold nanoparticles for catalytic transformation of adsorbed phenolic compounds such as 4-nitrophenol to 4-aminophenol.
C1 [Li, Haiying; Liu, Honglai] E China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China.
[Li, Haiying; Liu, Honglai] E China Univ Sci & Technol, Dept Chem, Shanghai 200237, Peoples R China.
[Li, Haiying; Dai, Sheng] Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA.
[Meng, Bo; Chai, Song-Hai; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
RP Liu, HL (reprint author), E China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China.; Liu, HL (reprint author), E China Univ Sci & Technol, Dept Chem, Shanghai 200237, Peoples R China.; Dai, S (reprint author), Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA.; Chai, SH; Dai, S (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
EM schai@utk.edu; hlliu@ecust.edu.cn; dais@ornl.gov
RI Dai, Sheng/K-8411-2015
OI Dai, Sheng/0000-0002-8046-3931
FU U.S. Department of Energy, Office of Science, Basic Energy Sciences,
Chemical Sciences, Geosciences, and Biosciences Division; 111 Project of
China [B08021]
FX H. Li and H. Liu thank the National Basic Research Program of China
(2013CB733501), the National Natural Science Foundation of China (No.
91334203), the 111 Project of China (No. B08021) and the Fundamental
Research Funds for the Central Universities of China. S. Chai and S. Dai
were supported by the U.S. Department of Energy, Office of Science,
Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences
Division.
NR 38
TC 12
Z9 12
U1 28
U2 89
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 2016
VL 7
IS 2
BP 905
EP 909
DI 10.1039/c5sc04034e
PG 5
WC Chemistry, Multidisciplinary
SC Chemistry
GA DB9KR
UT WOS:000368835300007
ER
PT J
AU Turkin, A
Zhang, L
Marcozzi, A
Mangel, WF
Herrmann, A
van Oijen, AM
AF Turkin, Alexander
Zhang, Lei
Marcozzi, Alessio
Mangel, Walter F.
Herrmann, Andreas
van Oijen, Antoine M.
TI Speeding up biomolecular interactions by molecular sledding
SO CHEMICAL SCIENCE
LA English
DT Article
ID DNA-TEMPLATED SYNTHESIS; ADENOVIRUS-PROTEINASE; VIRAL-PROTEINASE; GROOVE
BINDER; IN-VITRO; PEPTIDE; PCR; PROCESSIVITY; POLYMERASE
AB Numerous biological processes involve association of a protein with its binding partner, an event that is preceded by a diffusion-mediated search bringing the two partners together. Often hindered by crowding in biologically relevant environments, three-dimensional diffusion can be slow and result in long bimolecular association times. Similarly, the initial association step between two binding partners often represents a rate-limiting step in biotechnologically relevant reactions. We demonstrate the practical use of an 11-a.a. DNA-interacting peptide derived from adenovirus to reduce the dimensionality of diffusional search processes and speed up associations between biological macromolecules. We functionalize binding partners with the peptide and demonstrate that the ability of the peptide to one-dimensionally diffuse along DNA results in a 20-fold reduction in reaction time. We also show that modifying PCR primers with the peptide sled enables significant acceleration of standard PCR reactions.
C1 [Turkin, Alexander; van Oijen, Antoine M.] Univ Groningen, Zernike Inst Adv Mat, Single Mol Biophys, NL-9747 AG Groningen, Netherlands.
[Zhang, Lei; Marcozzi, Alessio; Herrmann, Andreas] Univ Groningen, Dept Polymer Chem, Zernike Inst Adv Mat, Nijenborgh 16, NL-9747 AG Groningen, Netherlands.
[Mangel, Walter F.] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP van Oijen, AM (reprint author), Univ Groningen, Zernike Inst Adv Mat, Single Mol Biophys, NL-9747 AG Groningen, Netherlands.; Herrmann, A (reprint author), Univ Groningen, Dept Polymer Chem, Zernike Inst Adv Mat, Nijenborgh 16, NL-9747 AG Groningen, Netherlands.
EM a.herrmann@rug.nl; m.van.oijen@rug.nl
OI van Oijen, Antoine/0000-0002-1794-5161; Herrmann,
Andreas/0000-0002-8886-0894
FU Netherlands Organization for Scientific Research (NWO) [Vici
680-47-607]; European Research Council (ERC) [281098]; National
Institute of Allergy and Infectious Diseases of the National Institutes
of Health [R01AI41599, R21AI113565]
FX The authors thank Paul Blainey for useful discussions and Reinoud
Mollema for assistance with the graphic design of the figures. A.M.v.O.
and A.H. would like to acknowledge funding from the Netherlands
Organization for Scientific Research (NWO; Vici 680-47-607) and the
European Research Council (ERC Starting Grant 281098). Some of the
research reported in this publication was supported by the National
Institute of Allergy and Infectious Diseases of the National Institutes
of Health under Awards Numbered R01AI41599 and R21AI113565, to W.F.M.
The content is solely the responsibility of the authors and does not
necessarily represent the official views of the National Institutes of
Health.
NR 27
TC 4
Z9 4
U1 3
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 2016
VL 7
IS 2
BP 916
EP 920
DI 10.1039/c5sc03063c
PG 5
WC Chemistry, Multidisciplinary
SC Chemistry
GA DB9KR
UT WOS:000368835300009
PM 26913169
ER
PT J
AU Sarma, D
Malliakas, CD
Subrahmanyam, KS
Islama, SM
Kanatzidis, MG
AF Sarma, Debajit
Malliakas, Christos D.
Subrahmanyam, K. S.
Islama, Saiful M.
Kanatzidis, Mercouri G.
TI K2xSn4-xS8-x (x=0.65-1): a new metal sulfide for rapid and selective
removal of Cs+, Sr2+ and UO22+ ions
SO CHEMICAL SCIENCE
LA English
DT Article
ID FUKUSHIMA NUCLEAR ACCIDENT; ACIDIC RADIOACTIVE-WASTE; LAYERED TIN(IV)
SULFIDE; EXTRACTION UNEX PROCESS; CESIUM; STRONTIUM; EXCHANGERS;
SOLVENT; URANIUM; SEQUESTRATION
AB The fission of uranium produces radionuclides, Cs-137 and Sr-90, which are major constituents of spent nuclear fuel. The half-life of Cs-137 and Sr-90 is nearly 30 years and thus that makes them harmful to human life and the environment. The selective removal of these radionuclides in the presence of high salt concentrations from industrial nuclear waste is necessary for safe storage. Here we report the synthesis and crystal structure of K2xSn4-xS8-x (x = 0.65-1, KTS-3) a material which exhibits excellent Cs+, Sr2+ and UO22+ ion exchange properties in varying conditions. The compound adopts a layered structure which consists of exchangeable potassium ions sandwiched between infinite layers of octahedral and tetrahedral tin centers. K2xSn4-xS8-x (x = 0.65-1, KTS-3) crystallizes in the monoclinic space group P2(1)/c with cell parameters a = 13.092(3) angstrom, b = 16.882(2) angstrom, c = 7.375(1) angstrom and beta = 98.10(1)degrees. Refinement of the single crystal diffraction data revealed the presence of Sn vacancies in the tetrahedra that are long range ordered. The interlayer potassium ions of KTS-3 can be exchanged for Cs+, Sr2+ and UO22+. KTS-3 exhibits rapid and efficient ion exchange behavior in a broad pH range. The distribution coefficients (K-d) for KTS-3 are high for Cs+ (5.5 x 10(4)), Sr2+ (3.9 x 10(5)) and UO22+ (2.7 x 10(4)) at neutral pH (7.4, 6.9, 5.7 ppm Cs+, Sr2+ and UO22+, respectively; V/m similar to 1000 mL g(-1)). KTS-3 exhibits impressive Cs+, Sr2+ and UO22+ ion exchange properties in high salt concentration and over a broad pH range, which coupled with the low cost, environmentally friendly nature and facile synthesis underscores its potential in treating nuclear waste.
C1 [Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; Islama, Saiful M.; Kanatzidis, Mercouri G.] Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.
[Kanatzidis, Mercouri G.] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Kanatzidis, MG (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.; Kanatzidis, MG (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM m-kanatzidis@northwestern.edu
FU National Science Foundation [DMR-1410169]; NEUP grant from the
Department of Energy, Office of Nuclear Energy; NSF-NSEC; NSF-MRSEC;
Keck Foundation; State of Illinois; Northwestern University; U.S.
Department of Energy, Office of Basic Energy Sciences
[DE-AC02-06CH11357]
FX The materials synthesis and crystallographic characterization in this
work was supported by National Science Foundation grant DMR-1410169. The
ion exchange aspects of this research were supported by a NEUP grant
from the Department of Energy, Office of Nuclear Energy. The work made
use of the facilities available at the Northwestern University
Integrated Molecular Structure Education and Research Center. A
description of the facility and full funding disclosure can be found at
http://www.imserc.facilities.northwestern.edu/. Electron microscopy
imaging (SEM) and XPS were performed at the EPIC facility of the NUANCE
Center at Northwestern University. The NUANCE Center is supported by
NSF-NSEC, NSF-MRSEC, the Keck Foundation, the State of Illinois, and
Northwestern University. C. D. M. was supported by the U.S. Department
of Energy, Office of Basic Energy Sciences under contract no.
DE-AC02-06CH11357.
NR 53
TC 20
Z9 20
U1 23
U2 45
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 2016
VL 7
IS 2
BP 1121
EP 1132
DI 10.1039/c5sc03040d
PG 12
WC Chemistry, Multidisciplinary
SC Chemistry
GA DB9KR
UT WOS:000368835300037
ER
PT J
AU Hrovat, DA
Hou, GL
Chen, B
Wang, XB
Borden, WT
AF Hrovat, David A.
Hou, Gao-Lei
Chen, Bo
Wang, Xue-Bin
Borden, Weston Thatcher
TI Negative ion photoelectron spectroscopy confirms the prediction that
D-3h carbon trioxide (CO3) has a singlet ground state
SO CHEMICAL SCIENCE
LA English
DT Article
ID ELECTRONIC-STRUCTURE; SYMMETRY-BREAKING; PHOTOCHEMICAL-REACTIONS;
POLYATOMIC-MOLECULES; PERTURBATION-THEORY; INFRARED SPECTRUM; LOWEST
SINGLET; TRIPLET; PHOTODISSOCIATION; TRIMETHYLENEMETHANE
AB The CO3 radical anion (CO3 center dot-) has been formed by electrospraying carbonate dianion (CO3 center dot-) into the gas phase. The negative ion photoelectron (NIPE) spectrum of CO3 center dot- shows that, unlike the isoelectronic trimethylenemethane [C(CH2)(3)], D-3h carbon trioxide (CO3) has a singlet ground state. From the NIPE spectrum, the electron affinity of D-3h singlet CO3 was, for the first time, directly determined to be EA = 4.06 +/- 0.03 eV, and the energy difference between the D-3h singlet and the lowest triplet was measured as Delta E-ST = -17.8 +/- 0.9 kcal mol(-1). B3LYP, CCSD(T), and CASPT2 calculations all find that the two lowest triplet states of CO3 are very close in energy, a prediction that is confirmed by the relative intensities of the bands in the NIPE spectrum of CO3 center dot-. The 560 cm(-1) vibrational progression, seen in the low energy region of the triplet band, enables the identification of the lowest, Jahn-Teller-distorted, triplet state as (3)A(1), in which both unpaired electrons reside in sigma MOs, rather than (3)A(2), in which one unpaired electron occupies the b(2) sigma MO, and the other occupies the b(1) pi MO.
C1 [Hrovat, David A.; Chen, Bo; Borden, Weston Thatcher] Univ N Texas, Dept Chem, 1155 Union Circle,305070, Denton, TX 76203 USA.
[Hrovat, David A.; Chen, Bo; Borden, Weston Thatcher] Univ N Texas, Ctr Adv Sci Comp & Modeling, 1155 Union Circle,305070, Denton, TX 76203 USA.
[Hou, Gao-Lei; Wang, Xue-Bin] Pacific NW Natl Lab, Phys Sci Div, POB 999,MS K8-88, Richland, WA 99352 USA.
RP Borden, WT (reprint author), Univ N Texas, Dept Chem, 1155 Union Circle,305070, Denton, TX 76203 USA.; Borden, WT (reprint author), Univ N Texas, Ctr Adv Sci Comp & Modeling, 1155 Union Circle,305070, Denton, TX 76203 USA.; Wang, XB (reprint author), Pacific NW Natl Lab, Phys Sci Div, POB 999,MS K8-88, Richland, WA 99352 USA.
EM xuebin.wang@pnnl.gov; borden@unt.edu
FU Robert A. Welch Foundation [B0027]; U.S. Department of Energy (DOE),
Office of Science, Office of Basic Energy Sciences, Division of Chemical
Sciences, Geosciences and Biosciences; DOE's Office of Biological and
Environmental Research
FX The calculations at UNT were supported by Grant B0027 from the Robert A.
Welch Foundation. The NIPES research at PNNL was supported by the U.S.
Department of Energy (DOE), Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences and Biosciences and
was performed at the EMSL, a national scientific user facility sponsored
by DOE's Office of Biological and Environmental Research and located at
Pacific Northwest National Laboratory, which is a multiprogram national
laboratory operated for DOE by Battelle.
NR 74
TC 1
Z9 1
U1 8
U2 18
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 2016
VL 7
IS 2
BP 1142
EP 1150
DI 10.1039/c5sc03542b
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA DB9KR
UT WOS:000368835300039
ER
PT J
AU Arias, DH
Ryerson, JL
Cook, JD
Damrauer, NH
Johnson, JC
AF Arias, Dylan H.
Ryerson, Joseph L.
Cook, Jasper D.
Damrauer, Niels H.
Johnson, Justin C.
TI Polymorphism influences singlet fission rates in tetracene thin films
SO CHEMICAL SCIENCE
LA English
DT Article
ID EXCITON-FISSION; CRYSTALLINE TETRACENE; SOLAR-CELL; EFFICIENCY;
PENTACENE; DYNAMICS; DERIVATIVES; MORPHOLOGY; PHOTOVOLTAICS; CONVERSION
AB We report the effect of crystal structure and crystallite grain size on singlet fission (SF) in polycrystalline tetracene, one of the most widely studied SF and organic semiconductor materials. SF has been comprehensively studied in one polymoprh (Tc I), but not in the other, less stable polymorph (Tc II). Using carefully controlled thermal evaporation deposition conditions and high sensitivity ultrafast transient absorption spectroscopy, we found that for large crystallite size samples, SF in nearly pure Tc II films is significantly faster than SF in Tc I films. We also discovered that crystallite size has a minimal impact on the SF rate in Tc II films, but a significant influence in Tc I films. Large crystallites exhibit SF times of 125 ps and 22 ps in Tc I and Tc II, respectively, whereas small crystallites have SF times of 31 ps and 33 ps. Our results demonstrate first, that attention must be paid to polymorphism in obtaining a self-consistent rate picture for SF in tetracene and second, that control of polymorphism can play a significant role towards achieving a mechanistic understanding of SF in polycrystalline systems. In this latter context we show that conventional theory based on non-covalent tetracene couplings is insufficient, thus highlighting the need for models that capture the delocalized and highly mobile nature of excited states in elucidating the full photophysical picture.
C1 [Arias, Dylan H.; Ryerson, Joseph L.; Johnson, Justin C.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Arias, Dylan H.; Ryerson, Joseph L.; Cook, Jasper D.; Damrauer, Niels H.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA.
RP Johnson, JC (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.; Damrauer, NH (reprint author), Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA.
EM Niels.Damrauer@colorado.edu; Justin.Johnson@nrel.gov
FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Biosciences, and Geosciences; NREL
[DE-AC36-08GO28308]; [DE-FG02-07ER15890]
FX The authors thank B. Schatschneider for the calculated. cif. le for the
Tc II polymorph. This material is based on work supported by the U.S.
Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Biosciences, and Geosciences. D. H. A., J. L. R. and
J. C. J. acknowledge Contract No. DE-AC36-08GO28308 with NREL and D. H.
A., J. D. C., and N. H. D. acknowledge Contract No. DE-FG02-07ER15890.
NR 56
TC 12
Z9 12
U1 11
U2 48
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 2016
VL 7
IS 2
BP 1185
EP 1191
DI 10.1039/c5sc03535j
PG 7
WC Chemistry, Multidisciplinary
SC Chemistry
GA DB9KR
UT WOS:000368835300043
ER
PT J
AU Kambhampati, A
Payne, DC
Costantini, V
Lopman, BA
AF Kambhampati, Anita
Payne, Daniel C.
Costantini, Veronica
Lopman, Benjamin A.
TI Host Genetic Susceptibility to Enteric Viruses: A Systematic Review and
Metaanalysis
SO CLINICAL INFECTIOUS DISEASES
LA English
DT Review
DE norovirus; rotavirus; FUT2; histo-blood group antigen
ID BLOOD GROUP ANTIGENS; UNITED-STATES; NOROVIRUS; ROTAVIRUS;
GASTROENTERITIS; SECRETOR; CHILDREN; VACCINE; LEWIS; VP8(STAR)
AB Background. Norovirus and rotavirus are prominent enteric viruses responsible for severe acute gastroenteritis disease burden around the world. Both viruses recognize and bind to histo-blood group antigens, which are expressed by the fucosyltransferase 2 (FUT2) gene. Individuals with a functional FUT2 gene are termed "secretors." FUT2 polymorphisms may influence viral binding patterns and, therefore, may influence host susceptibility to infection by these viruses.
Methods. We performed a systematic review of the published literature on this topic. Data were abstracted and compiled for descriptive analyses and metaanalyses. We estimated pooled odds ratios (ORs) for infection using random-effects models.
Results. We found that secretors were 9.9 times (95% confidence interval [ CI], 3.9-24.8) as likely to be infected with genogroup II. 4 noroviruses and 2.2 times as likely to be infected with genogroup II non-4 noroviruses (95% CI, 1.2-4.2) compared with nonsecretors. Secretors were also 26.6 times more susceptible to infections from P[8]-type rotaviruses compared with nonsecretors (95% CI, 8.3-85.0).
Conclusions. Our analyses indicate that host genetic susceptibility to norovirus and rotavirus infection may be strain specific. As strain distribution and the proportion of genetic phenotypes vary in different countries, future studies should focus on differences in susceptibility among various ethnicities. Knowledge of innate susceptibility to rotavirus and norovirus can lead to improved understanding of both vaccine performance and individual risk of disease.
C1 [Kambhampati, Anita; Payne, Daniel C.; Costantini, Veronica; Lopman, Benjamin A.] US Ctr Dis Control & Prevent, Natl Ctr Immunizat & Resp Dis, Div Viral Dis, Atlanta, GA 30329 USA.
[Kambhampati, Anita] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA.
RP Kambhampati, A (reprint author), Ctr Dis Control & Prevent, 1600 Clifton Rd,NE,MS-A34, Atlanta, GA 30333 USA.
EM wyc4@cdc.gov
FU Intramural CDC HHS [CC999999]
NR 31
TC 12
Z9 12
U1 8
U2 12
PU OXFORD UNIV PRESS INC
PI CARY
PA JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA
SN 1058-4838
EI 1537-6591
J9 CLIN INFECT DIS
JI Clin. Infect. Dis.
PD JAN 1
PY 2016
VL 62
IS 1
BP 11
EP 18
DI 10.1093/cid/civ873
PG 8
WC Immunology; Infectious Diseases; Microbiology
SC Immunology; Infectious Diseases; Microbiology
GA DB6JO
UT WOS:000368621400002
PM 26508510
ER
PT J
AU Barker, AT
Rees, T
Stoll, M
AF Barker, Andrew T.
Rees, Tyrone
Stoll, Martin
TI A Fast Solver for an H-1 Regularized PDE-Constrained Optimization
Problem
SO COMMUNICATIONS IN COMPUTATIONAL PHYSICS
LA English
DT Article
DE Preconditioning; Krylov methods; PDE-constrained optimization; optimal
control of PDEs
ID NONSYMMETRIC LINEAR-SYSTEMS; SADDLE-POINT PROBLEMS; PRIMAL-DUAL
STRATEGY; INDEFINITE SYSTEMS; STATE CONSTRAINTS; ELLIPTIC PROBLEMS;
NEWTON METHODS; PRECONDITIONERS; APPROXIMATION; ALGORITHM
AB In this paper we consider PDE-constrained optimization problems which incorporate an H-1 regularization control term. We focus on a time-dependent PDE, and consider both distributed and boundary control. The problems we consider include bound constraints on the state, and we use a Moreau-Yosida penalty function to handle this. We propose Krylov solvers and Schur complement preconditioning strategies for the different problems and illustrate their performance with numerical examples.
C1 [Barker, Andrew T.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Mail Stop L-561, Livermore, CA 94551 USA.
[Rees, Tyrone] Rutherford Appleton Lab, Numer Anal Grp, Dept Comp Sci, Didcot OX11 0QX, Oxon, England.
[Stoll, Martin] Max Planck Inst Dynami Complex Tech Syst, Computat Methods Syst & Control Theory, Sandtorstr 1, D-39106 Magdeburg, Germany.
RP Rees, T (reprint author), Rutherford Appleton Lab, Numer Anal Grp, Dept Comp Sci, Didcot OX11 0QX, Oxon, England.
EM barker29@llnl.gov; tyrone.rees@stfc.ac.uk; stollm@mpi-magdeburg.mpg.de
OI Rees, Tyrone/0000-0003-0476-2259
NR 77
TC 0
Z9 0
U1 1
U2 7
PU GLOBAL SCIENCE PRESS
PI WANCHAI
PA ROOM 3208, CENTRAL PLAZA, 18 HARBOUR RD, WANCHAI, HONG KONG 00000,
PEOPLES R CHINA
SN 1815-2406
EI 1991-7120
J9 COMMUN COMPUT PHYS
JI Commun. Comput. Phys.
PD JAN
PY 2016
VL 19
IS 1
BP 143
EP 167
DI 10.4208/cicp.190914.080415a
PG 25
WC Physics, Mathematical
SC Physics
GA DC2ZQ
UT WOS:000369088500006
ER
PT J
AU Brandes, E
McNunn, GS
Schulte, LA
Bonner, IJ
Muth, DJ
Babcock, BA
Sharma, B
Heaton, EA
AF Brandes, E.
McNunn, G. S.
Schulte, L. A.
Bonner, I. J.
Muth, D. J.
Babcock, B. A.
Sharma, B.
Heaton, E. A.
TI Subfield profitability analysis reveals an economic case for cropland
diversification
SO ENVIRONMENTAL RESEARCH LETTERS
LA English
DT Article
DE ecosystem services; spatial analysis; GIS; precision conservation;
agricultural diversification; landscape; maize
ID AGRICULTURAL LANDSCAPES; ENVIRONMENTAL-QUALITY; ECOSYSTEM SERVICES;
MISSISSIPPI RIVER; RACCOON RIVER; CONSERVATION; IOWA; WATER; FIELD;
VARIABILITY
AB Public agencies and private enterprises increasingly desire to achieve ecosystem service outcomes in agricultural systems, but are limited by perceived conflicts between economic and ecosystem service goals and a lack of tools enabling effective operational management. Here we use Iowa-an agriculturally homogeneous state representative of the Maize Belt-to demonstrate an economic rationale for cropland diversification at the subfield scale. We used a novel computational framework that integrates disparate but publicly available data to map similar to 3.3 million unique potential management polygons (9.3 Mha) and reveal subfield opportunities to increase overall field profitability. We analyzed subfield profitability for maize/soybean fields during 2010-2013-four of the most profitable years in recent history-and projected results for 2015. While cropland operating at a loss of US$ 250 ha(-1) or more was negligible between 2010 and 2013 at 18 000-190 000 ha (<2% of row-crop land), the extent of highly unprofitable land increased to 2.5 Mha, or 27% of row-crop land, in the 2015 projection. Aggregation of these areas to the township level revealed 'hotspots' for potential management change in Western, Central, and Northeast Iowa. In these least profitable areas, incorporating conservation management that breaks even (e.g., planting low-input perennials), into low-yielding portions of fields could increase overall cropland profitability by 80%. This approach is applicable to the broader region and differs substantially from the status quo of 'top-down' land management for conservation by harnessing private interest to align profitability with the production of ecosystem services.
C1 [Brandes, E.; McNunn, G. S.; Sharma, B.; Heaton, E. A.] Iowa State Univ, Dept Agron, Ames, IA 50011 USA.
[McNunn, G. S.; Muth, D. J.] AgSolver Inc, 2701 Kent Ave,Suite 130, Ames, IA 50010 USA.
[Schulte, L. A.] Iowa State Univ, Dept Nat Resource Ecol & Management, Ames, IA 50011 USA.
[Bonner, I. J.] US DOE, Idaho Natl Lab, Dept Biofuels & Renewable Energy Technol, POB 1625, Idaho Falls, ID 83415 USA.
[Babcock, B. A.] Iowa State Univ, Dept Econ, Ames, IA 50011 USA.
[Bonner, I. J.] Monsanto Co, 21120 Hwy 30, Filer, ID 83328 USA.
RP Heaton, EA (reprint author), Iowa State Univ, Dept Agron, Ames, IA 50011 USA.
EM heaton@iastate.edu
FU Iowa State University Department of Agronomy Anonymous Endowment; USDA
National Institute of Food and Agriculture, Hatch project [221195]
FX The authors thank Alejandro Plastina and John Sawyer for their helpful
guidance on crop production specifics, John Lawrence for his expert
opinion on the economic soundness of the work, and Kara Cafferty for her
valuable input on the analysis. The authors also thank Joshua Koch and
Doug McCorkle for their support on modelling the yield data set, Daryl
Hertzman for creating the interactive online map, and Fernando Miguez
for the generous provision of personnel resources. Dr Bhavna Sharma's
specific contribution was limited to the subfield visualization maps
(figure 2 and online). Therefore, she is not responsible for the full
manuscript. This project was funded by the Iowa State University
Department of Agronomy Anonymous Endowment and the USDA National
Institute of Food and Agriculture, Hatch project 221195.
NR 51
TC 4
Z9 4
U1 3
U2 12
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 1748-9326
J9 ENVIRON RES LETT
JI Environ. Res. Lett.
PD JAN
PY 2016
VL 11
IS 1
AR 014009
DI 10.1088/1748-9326/11/1/014009
PG 13
WC Environmental Sciences; Meteorology & Atmospheric Sciences
SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences
GA DB8YT
UT WOS:000368803800012
ER
PT J
AU Lee, A
Elam, JW
Darling, SB
AF Lee, Anna
Elam, Jeffrey W.
Darling, Seth B.
TI Membrane materials for water purification: design, development, and
application
SO ENVIRONMENTAL SCIENCE-WATER RESEARCH & TECHNOLOGY
LA English
DT Review
ID ATOMIC-FORCE MICROSCOPY; GRAPHENE OXIDE MEMBRANES; HOLLOW-FIBER
MEMBRANES; MOLECULAR-DYNAMICS SIMULATIONS; FILM COMPOSITE MEMBRANE;
LOW-TEMPERATURE PLASMA; POLYETHERSULFONE NANOFILTRATION MEMBRANES;
FOULING-RESISTANT MEMBRANES; ENHANCED RAMAN-SPECTROSCOPY; CARBON
NANOTUBE MEMBRANES
AB Water purification for human use, ecosystem management, agriculture, and industry is emerging as a leading global priority. Access to sufficient clean water ultimately requires improvements over the current state of water filtration technology. Membrane technologies for water purification have been actively pursued for decades, but with recent innovation of both analytical and fabrication tools, more advanced membrane technologies are surfacing. Here, we review the design, development, and application of new membrane materials, fabrication methods for controlling the filtration size regime, analytical tools for performance testing, and molecular modeling for transport and separation. Membrane chemical stability, fouling, and environmental impact as open questions are also presented.
C1 [Lee, Anna; Darling, Seth B.] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 South Cass Ave, Lemont, IL 60439 USA.
[Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, 9700 South Cass Ave, Lemont, IL 60439 USA.
[Darling, Seth B.] Univ Chicago, Inst Mol Engn, 5801 South Ellis Ave, Chicago, IL 60637 USA.
RP Lee, A (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 South Cass Ave, Lemont, IL 60439 USA.
EM leea@anl.gov; darling@anl.gov
NR 284
TC 22
Z9 22
U1 84
U2 227
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2053-1400
EI 2053-1419
J9 ENVIRON SCI-WAT RES
JI Environ. Sci.-Wat. Res. Technol.
PY 2016
VL 2
IS 1
BP 17
EP 42
DI 10.1039/c5ew00159e
PG 26
WC Engineering, Environmental; Environmental Sciences; Water Resources
SC Engineering; Environmental Sciences & Ecology; Water Resources
GA DB9TM
UT WOS:000368859800003
ER
PT J
AU Mekasha, S
Forsberg, Z
Dalhus, B
Bacik, JP
Choudhary, S
Schmidt-Dannert, C
Vaaje-Kolstad, G
Eijsink, VGH
AF Mekasha, Sophanit
Forsberg, Zarah
Dalhus, Bjorn
Bacik, John-Paul
Choudhary, Swati
Schmidt-Dannert, Claudia
Vaaje-Kolstad, Gustav
Eijsink, Vincent G. H.
TI Structural and functional characterization of a small chitin-active
lytic polysaccharide monooxygenase domain of a multi-modular chitinase
from Jonesia denitrificans
SO FEBS LETTERS
LA English
DT Article
DE AA10; chitin; chitinase; Jonesia denitrificans; lytic polysaccharide
monooxygenase
ID MACROMOLECULAR CRYSTALLOGRAPHY; BETA-CHITIN; CELLULOSE; PROTEIN;
DEGRADATION; FUNGAL; ENZYME; STREPTOMYCES; RESOLUTION; ALIGNMENT
AB Lytic polysaccharide monooxygenases (LPMOs) boost enzymatic depolymerization of recalcitrant polysaccharides, such as chitin and cellulose. We have studied a chitin-active LPMO domain (JdLPMO10A) that is considerably smaller (15.5 kDa) than all structurally characterized LPMOs so far and that is part of a modular protein containing a GH18 chitinase. The 1.55 angstrom resolution structure revealed deletions of interacting loops that protrude from the core -sandwich scaffold in larger LPMO10s. Despite these deletions, the enzyme is active on alpha- and beta-chitin, and the chitin-binding surface previously described for larger LPMOs is fully conserved. JdLPMO10A may represent a minimal scaffold needed to catalyse the powerful LPMO reaction.
C1 [Mekasha, Sophanit; Forsberg, Zarah; Vaaje-Kolstad, Gustav; Eijsink, Vincent G. H.] Norwegian Univ Life Sci, Dept Chem Biotechnol & Food Sci, N-1432 As, Norway.
[Dalhus, Bjorn] Univ Oslo, Inst Clin Med, Dept Med Biochem, N-0316 Oslo, Norway.
[Dalhus, Bjorn] Oslo Univ Hosp, Rikshosp, Dept Microbiol, Clin Diagnost & Intervent, Oslo, Norway.
[Bacik, John-Paul] Los Alamos Natl Lab, Biosci Div, Prot Crystallog Stn, Los Alamos, NM USA.
[Choudhary, Swati; Schmidt-Dannert, Claudia] Univ Minnesota, Dept Biochem Mol Biol & Biophys, St Paul, MN 55108 USA.
RP Eijsink, VGH (reprint author), Norwegian Univ Life Sci, Dept Chem Biotechnol & Food Sci, N-1432 As, Norway.
EM vincent.eijsink@nmbu.no
FU Research Council of Norway [214138, 221576]; Vista programme of
Norwegian Academy of Science and Letters [6510]; South-Eastern Norway
Regional Health Authority [2012085, 2015095]; [MX-1468]
FX This work was supported by The Research Council of Norway through grants
214138 & 221576 and by the Vista programme of the Norwegian Academy of
Science and Letters (grant 6510). We are grateful for synchrotron travel
support from The Research Council of Norway (216625/F50) and support
from the South-Eastern Norway Regional Health Authority (Grants No.
2012085 and 2015095; Regional Core Facility for Structural Biology to
BD). We also thank the European Synchrotron Radiation Facility staff for
help and beamtime at beamline ID29 (project MX-1468).
NR 37
TC 2
Z9 2
U1 9
U2 32
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0014-5793
EI 1873-3468
J9 FEBS LETT
JI FEBS Lett.
PD JAN
PY 2016
VL 590
IS 1
BP 34
EP 42
DI 10.1002/1873-3468.12025
PG 9
WC Biochemistry & Molecular Biology; Biophysics; Cell Biology
SC Biochemistry & Molecular Biology; Biophysics; Cell Biology
GA DB9AS
UT WOS:000368808900004
PM 26763108
ER
PT J
AU Scott, SN
Dodd, AB
Larsen, ME
Suo-Anttila, JM
Erickson, KL
AF Scott, Sarah N.
Dodd, Amanda B.
Larsen, Marvin E.
Suo-Anttila, Jill M.
Erickson, Ken L.
TI Validation of Heat Transfer, Thermal Decomposition, and Container
Pressurization of Polyurethane Foam Using Mean Value and Latin Hypercube
Sampling Approaches
SO FIRE TECHNOLOGY
LA English
DT Article
DE Uncertainty quantification; Validation; Pyrolysis; Heat transfer;
Polyurethane foam; Mean value method; Latin hypercube sampling
ID SENSITIVITY; UNCERTAINTY
AB Polymer foam encapsulants provide mechanical, electrical, and thermal isolation in engineered systems. It can be advantageous to surround objects of interest, such as electronics, with foams in a hermetically sealed container in order to protect them from hostile environments or from accidents such as fire. In fire environments, gas pressure from thermal decomposition of foams can cause mechanical failure of sealed systems. In this work, a detailed uncertainty quantification study of polymeric methylene diisocyanate (PMDI)-polyether-polyol based polyurethane foam is presented and compared to experimental results to assess the validity of a 3-D finite element model of the heat transfer and degradation processes. In this series of experiments, 320 kg/m(3) PMDI foam in a 0.2 L sealed steel container is heated to 1,073 K at a rate of 150 K/min. The experiment ends when the can breaches due to the buildup of pressure. The temperature at key location is monitored as well as the internal pressure of the can. Both experimental uncertainty and computational uncertainty are examined and compared. The mean value method (MV) and Latin hypercube sampling (LHS) approach are used to propagate the uncertainty through the model. The results of the both the MV method and the LHS approach show that while the model generally can predict the temperature at given locations in the system, it is less successful at predicting the pressure response. Also, these two approaches for propagating uncertainty agree with each other, the importance of each input parameter on the simulation results is also investigated, showing that for the temperature response the conductivity of the steel container and the effective conductivity of the foam, are the most important parameters. For the pressure response, the activation energy, effective conductivity, and specific heat are most important. The comparison to experiments and the identification of the drivers of uncertainty allow for targeted development of the computational model and for definition of the experiments necessary to improve accuracy.
C1 [Scott, Sarah N.; Dodd, Amanda B.; Larsen, Marvin E.; Suo-Anttila, Jill M.; Erickson, Ken L.] Sandia Natl Labs, POB 969,MS 9042, Livermore, CA 94551 USA.
RP Scott, SN (reprint author), Sandia Natl Labs, POB 969,MS 9042, Livermore, CA 94551 USA.
EM snscott@sandia.gov
FU United States Department of Energy's National Nuclear Security
Administration [DE-AC04-94AL85000]
FX The authors would like to thank Patty Hough, Tim Koehler, and Roy Hogan
for reviewing this paper. 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-AC04-94AL85000. This is document SAND2014-16560J.
NR 30
TC 1
Z9 1
U1 1
U2 4
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0015-2684
EI 1572-8099
J9 FIRE TECHNOL
JI Fire Technol.
PD JAN
PY 2016
VL 52
IS 1
SI SI
BP 121
EP 147
DI 10.1007/s10694-014-0448-8
PG 27
WC Engineering, Multidisciplinary; Materials Science, Multidisciplinary
SC Engineering; Materials Science
GA DB7RW
UT WOS:000368714700007
ER
PT J
AU Hoffman, CM
Ziegler, J
Canfield, J
Linn, RR
Mell, W
Sieg, CH
Pimont, F
AF Hoffman, C. M.
Ziegler, J.
Canfield, J.
Linn, R. R.
Mell, W.
Sieg, C. H.
Pimont, F.
TI Evaluating Crown Fire Rate of Spread Predictions from Physics-Based
Models
SO FIRE TECHNOLOGY
LA English
DT Article
DE Physics-based model; Fire behavior; HIGRAD/FIRETEC; Wildland Urban
Interface Fire Dynamics Simulator; WFDS
ID LARGE-EDDY SIMULATION; LODGEPOLE PINE FORESTS; WIND-FLOWS; JACK PINE;
FUEL BEDS; BEHAVIOR; PROPAGATION; CANOPY; VALIDATION; ATMOSPHERE
AB Modeling the behavior of crown fires is challenging due to the complex set of coupled processes that drive the characteristics of a spreading wildfire and the large range of spatial and temporal scales over which these processes occur. Detailed physics-based modeling approaches such as FIRETEC and the Wildland Urban Interface Fire Dynamics Simulator (WFDS) simulate fire behavior using computational fluid dynamics based methods to numerically solve the three-dimensional, time dependent, model equations that govern, to some approximation, the component physical processes and their interactions that drive fire behavior. Both of these models have had limited evaluation and have not been assessed for predicting crown fire behavior. In this paper, we utilized a published set of field-scale measured crown fire rate of spread (ROS) data to provide a coarse assessment of crown fire ROS predictions from previously published studies that have utilized WFDS or FIRETEC. Overall, 86% of all simulated ROS values using WFDS or FIRETEC fell within the 95% prediction interval of the empirical data, which was above the goal of 75% for dynamic ecological modeling. However, scarcity of available empirical data is a bottleneck for further assessment of model performance.
C1 [Hoffman, C. M.; Ziegler, J.] Colorado State Univ, Ft Collins, CO 80523 USA.
[Canfield, J.; Linn, R. R.] Los Alamos Natl Lab, Los Alamos, NM USA.
[Mell, W.] USDA Forest Serv, Pacific Wildland Fire Sci Lab, Seattle, WA USA.
[Sieg, C. H.] USDA Forest Serv, Rocky Mt Res Stn, Flagstaff, AZ USA.
[Pimont, F.] INRA, Ecol Forets Mediterraneennes, UR629, Avignon, France.
[Hoffman, C. M.] Dept Forest & Rangeland Stewardship, 1472 Campus Delivery, Ft Collins, CO 80523 USA.
RP Hoffman, CM (reprint author), Dept Forest & Rangeland Stewardship, 1472 Campus Delivery, Ft Collins, CO 80523 USA.
EM c.hoffman@colostate.edu
OI Hoffman, Chad/0000-0001-8715-937X
FU Joint Fire Science Program [13-1-04-53]; USDA Forest Service Pacific
Northwest Research Station; General Joint Venture [PNW
12-JV-11261987-102]
FX This research was supported in part by Joint Fire Science Program
project 13-1-04-53, USDA Forest Service Pacific Northwest Research
Station, General Joint Venture Agreement No. PNW 12-JV-11261987-102,
USDA Forest Service Research (both Rocky Mountain Research Station and
Washington office) National Fire Plan Dollars through Research Joint
Venture Agreement 11-JV-11221633-207 with Colorado State University, and
Interagency Agreements 09-IA-11221633-215 and 13-IA-11221633-103 with
Los Alamos National Laboratory.
NR 76
TC 5
Z9 6
U1 6
U2 20
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0015-2684
EI 1572-8099
J9 FIRE TECHNOL
JI Fire Technol.
PD JAN
PY 2016
VL 52
IS 1
SI SI
BP 221
EP 237
DI 10.1007/s10694-015-0500-3
PG 17
WC Engineering, Multidisciplinary; Materials Science, Multidisciplinary
SC Engineering; Materials Science
GA DB7RW
UT WOS:000368714700011
ER
PT J
AU Papineau, D
De Gregorio, B
Fearn, S
Kilcoyne, D
McMahon, G
Purohit, R
Fogel, M
AF Papineau, D.
De Gregorio, B.
Fearn, S.
Kilcoyne, D.
McMahon, G.
Purohit, R.
Fogel, M.
TI Nanoscale petrographic and geochemical insights on the origin of the
Palaeoproterozoic stromatolitic phosphorites from Aravalli Supergroup,
India
SO GEOBIOLOGY
LA English
DT Article
ID NEW-AGE CONSTRAINTS; TRANSMISSION X-RAY; PROTEROZOIC CYANOBACTERIAL
BLOOMS; AUSTRALIAN CONTINENTAL-MARGIN; NITROGEN ISOTOPE COMPOSITION;
ELECTRON-IRRADIATION DAMAGE; EDIACARAN ANIMAL EMBRYOS; ION
MASS-SPECTROMETRY; K-EDGE XANES; ORGANIC-MATTER
AB Stromatolites composed of apatite occur in post-Lomagundi-Jatuli successions (late Palaeoproterozoic) and suggest the emergence of novel types of biomineralization at that time. The microscopic and nanoscopic petrology of organic matter in stromatolitic phosphorites might provide insights into the suite of diagenetic processes that formed these types of stromatolites. Correlated geochemical micro-analyses of the organic matter could also yield molecular, elemental and isotopic compositions and thus insights into the role of specific micro-organisms among these communities. Here, we report on the occurrence of nanoscopic disseminated organic matter in the Palaeoproterozoic stromatolitic phosphorite from the Aravalli Supergroup of north-west India. Organic petrography by micro-Raman and Transmission Electron Microscopy demonstrates syngeneity of the organic matter. Total organic carbon contents of these stromatolitic phosphorite columns are between 0.05 and 3.0 wt% and have a large range of C-13(org) values with an average of -18.5 parts per thousand (1 sigma=4.5 parts per thousand). N-15 values of decarbonated rock powders are between -1.2 and +2.7 parts per thousand. These isotopic compositions point to the important role of biological N-2-fixation and CO2-fixation by the pentose phosphate pathway consistent with a population of cyanobacteria. Microscopic spheroidal grains of apatite (MSGA) occur in association with calcite microspar in microbial mats from stromatolite columns and with chert in the core of diagenetic apatite rosettes. Organic matter extracted from the stromatolitic phosphorites contains a range of molecular functional group (e.g. carboxylic acid, alcohol, and aliphatic hydrocarbons) as well as nitrile and nitro groups as determined from C- and N-XANES spectra. The presence of organic nitrogen was independently confirmed by a CN- peak detected by ToF-SIMS. Nanoscale petrography and geochemistry allow for a refinement of the formation model for the accretion and phototrophic growth of stromatolites. The original microbial biomass is inferred to have been dominated by cyanobacteria, which might be an important contributor of organic matter in shallow-marine phosphorites.
C1 [Papineau, D.] UCL, London Ctr Nanotechnol, London, England.
[Papineau, D.] UCL, Dept Earth Sci, London, England.
[De Gregorio, B.] Naval Res Lab, Mat Sci & Technol Div, Washington, DC 20375 USA.
[Fearn, S.] Univ London Imperial Coll Sci Technol & Med, Dept Mat Sci, London, England.
[Kilcoyne, D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[McMahon, G.] Univ Manchester, Sch Mat, Manchester, Lancs, England.
[Purohit, R.] Govt Coll Sirohi, Dept Geol, Sirohi, Rajasthan, India.
[Fogel, M.] Univ Calif Merced, Merced, CA USA.
RP Papineau, D (reprint author), UCL, London Ctr Nanotechnol, London, England.; Papineau, D (reprint author), UCL, Dept Earth Sci, London, England.
EM d.papineau@ucl.ac.uk
RI De Gregorio, Bradley/B-8465-2008; Kilcoyne, David/I-1465-2013
OI De Gregorio, Bradley/0000-0001-9096-3545;
FU University College London; Carnegie Institution of Washington; Carnegie
of Canada; WM Keck Foundation; NASA Astrobiology Institute [NNA04CC09A];
NASA Early Career Fellowship [NNX12AG14G]; NASA Exobiology and
Evolutionary Biology Program [NX08AO16G]; Boston College; Office of
Science, Office of Basic Energy Sciences of the US Department of Energy
[DE-AC02-05CH11231]
FX We acknowledge financial support for this work from the University
College London, Carnegie Institution of Washington, Carnegie of Canada,
WM Keck Foundation, NASA Astrobiology Institute (grant #NNA04CC09A),
NASA Early Career Fellowship (grant #NNX12AG14G), NASA Exobiology and
Evolutionary Biology Program (grant #NNX08AO16G), and Boston College. We
gratefully acknowledge the constructive review of three reviewers. STXM
data was acquired at the Advanced Light Source, which is supported by
the Director, Office of Science, Office of Basic Energy Sciences of the
US Department of Energy (under contract #DE-AC02-05CH11231).
NR 126
TC 3
Z9 3
U1 9
U2 19
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 2016
VL 14
IS 1
BP 3
EP 32
DI 10.1111/gbi.12164
PG 30
WC Biology; Environmental Sciences; Geosciences, Multidisciplinary
SC Life Sciences & Biomedicine - Other Topics; Environmental Sciences &
Ecology; Geology
GA DC2ZW
UT WOS:000369089500001
PM 26490161
ER
PT J
AU Paret, PP
DeVoto, DJ
Narumanchi, S
AF Paret, Paul P.
DeVoto, Douglas J.
Narumanchi, Sreekant
TI Reliability of Emerging Bonded Interface Materials for Large-Area
Attachments
SO IEEE TRANSACTIONS ON COMPONENTS PACKAGING AND MANUFACTURING TECHNOLOGY
LA English
DT Article
DE Bonded interface; cycles-to-failure; finite-element method (FEM)
modeling; lead solder; predictive lifetime; sintered silver;
thermoplastic
ID FATIGUE LIFE PREDICTION; SOLDER JOINTS; CHIP SCALE; PACKAGES; MODELS;
TEMPERATURE; SIMULATION; SNAGCU; CREEP
AB Conventional thermal interface materials (TIMs), such as greases, gels, and phase change materials, pose bottlenecks to heat removal and have long caused reliability issues in automotive power electronics packages. Bonded interface materials (BIMs) with superior thermal performance have the potential to be a replacement to the conventional TIMs. However, due to coefficient of thermal expansion mismatches between different components in a package and resultant thermomechanical stresses, fractures or delamination could occur, causing serious reliability concerns. These defects manifest themselves in increased thermal resistance in the package. In this paper, the results of reliability evaluation of emerging BIMs for large-area attachments in power electronics packaging are reported. Thermoplastic (polyamide) adhesive with embedded near-vertical-aligned carbon fibers, sintered silver, and conventional lead solder (Sn63Pb37) materials were bonded between 50.8 mm x 50.8 mm cross-sectional footprint silicon nitride substrates and copper base plate samples, and were subjected to accelerated thermal cycling until failure or 2500 cycles. Damage in the BIMs was monitored every 100 cycles by scanning acoustic microscopy. Thermoplastic with embedded carbon fibers performed the best with no defects, whereas sintered silver and lead solder failed at 2300 and 1400 thermal cycles, respectively. Besides thermal cycling, additional lead solder samples were subjected to thermal shock and thermal cycling with extended dwell periods. A finite element method (FEM)-based model was developed to simulate the behavior of lead solder under thermomechanical loading. Strain energy density per cycle results were calculated from the FEM simulations. A predictive lifetime model was formulated for lead solder by correlating strain energy density results extracted from modeling with cycles-to-failure obtained from experimental accelerated tests. A power-law-based approach was used to formulate the predictive lifetime model.
C1 [Paret, Paul P.; DeVoto, Douglas J.; Narumanchi, Sreekant] Natl Renewable Energy Lab, Transportat & Hydrogen Syst Ctr, Golden, CO 80401 USA.
RP Paret, PP (reprint author), Natl Renewable Energy Lab, Transportat & Hydrogen Syst Ctr, Golden, CO 80401 USA.
EM paul.paret@nrel.gov; douglas.devoto@nrel.gov;
sreekant.narumanchi@nrel.gov
FU Vehicle Technologies Office, U.S. Department of Energy Office of Energy
Efficiency and Renewable Energy (EERE); U.S. Department of Energy
[DE-AC36-08GO28308]; NREL
FX The authors acknowledge financial support for the work provided by Susan
Rogers and Steven Boyd, Technology Development Managers for the Electric
Drive Technologies Program, Vehicle Technologies Office, U.S. Department
of Energy Office of Energy Efficiency and Renewable Energy (EERE).
National Renewable Energy Laboratory (NREL) is a national laboratory of
the U.S. Department of Energy, Office of EERE, operated by the Alliance
for Sustainable Energy, Limited Liability Company. This work was
supported by the U.S. Department of Energy under Contract No.
DE-AC36-08GO28308 with NREL. Recommended for publication by Associate
Editor C. Basaran upon evaluation of reviewers' comments.
NR 31
TC 0
Z9 0
U1 11
U2 16
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3950
EI 2156-3985
J9 IEEE T COMP PACK MAN
JI IEEE Trans. Compon. Pack. Manuf. Technol.
PD JAN
PY 2016
VL 6
IS 1
BP 40
EP 49
DI 10.1109/TCPMT.2015.2499767
PG 10
WC Engineering, Manufacturing; Engineering, Electrical & Electronic;
Materials Science, Multidisciplinary
SC Engineering; Materials Science
GA DC0ZM
UT WOS:000368946600005
ER
PT J
AU Li, ZW
Chen, SAG
Hopkinson, D
Luebke, D
AF Li, Zhiwei
Chen, Shiaoguo
Hopkinson, David
Luebke, David
TI Verification of a solvent optimization approach for postcombustion CO2
capture using commercial alkanolamines
SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
LA English
DT Article
DE CO2 capture; Solvent optimization; Approach verification; Alkanolamine;
Postcombustion flue gas; Conventional absorption/desorption process
ID AQUEOUS MONOETHANOLAMINE; CONFIGURATIONS; PERFORMANCE; PLANTS
AB This paper verified a phase equilibrium approach for optimization of conceptual solvents by using process simulations of commercial solvents N-methyl-diethanolamine (MDEA) and 2-amino-2-methyl-1-propanol (AMP) aqueous solution, for a conventional absorption/desorption based postcombustion CO2 capture process. The simulated total heat/total equivalent work for the investigated tertiary/hindered amines has the same trends as those bated on the phase equilibrium approach for conceptual solvents with the same heat of reactions. Moreover, the simulated CO2 working capacities for the commercial solvents agree well with those obtained with the phase equilibrium approach for the corresponding conceptual solvents, verifying the phase equilibrium approach. Results of parametric tests using the AMP aqueous solution illustrate that there is an optimal lean loading for the lean solution and an optimal temperature for the stripper inlet solvent to achieve the least total equivalent work/total heat. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Li, Zhiwei; Chen, Shiaoguo] Carbon Capture Sci LLC, 4000 Brownsville Rd,POB 188, South Pk, PA 15129 USA.
[Hopkinson, David; Luebke, David] Natl Energy Technol Lab, 626 Cochrans Mill Rd,POB 10940, Pittsburgh, PA 15236 USA.
[Luebke, David] Liquid Ion Solut, 1817 Parkview Blvd, Pittsburgh, PA 15217 USA.
RP Li, ZW (reprint author), Carbon Capture Sci LLC, 4000 Brownsville Rd,POB 188, South Pk, PA 15129 USA.
EM zhiweili@carboncapturescientific.com
FU National Energy Technology Laboratory's Regional University Alliance
(NETL-RUA), a collaborative initiative of the NETL [DE-FE0004000]
FX As part of the National Energy Technology Laboratory's Regional
University Alliance (NETL-RUA), a collaborative initiative of the NETL,
this technical effort was performed under the RES contract DE-FE0004000.
NR 15
TC 1
Z9 1
U1 1
U2 10
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 2016
VL 44
BP 59
EP 65
DI 10.1016/j.ijggc.2015.11.002
PG 7
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Environmental
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA DB8FV
UT WOS:000368753500006
ER
PT J
AU Ilgen, AG
Cygan, RT
AF Ilgen, A. G.
Cygan, R. T.
TI Mineral dissolution and precipitation during CO2 injection at the Frio-I
Brine Pilot: Geochemical modeling and uncertainty analysis
SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
LA English
DT Article
DE CO2 geologic storage; Saline aquifers; Mineral trapping; Dissolution;
Pyrite; Calcite
ID PYRITE DISSOLUTION; ACIDIC MEDIA; SOLUBILITY; WATER; FELDSPAR; STORAGE;
CARBON; RATES
AB During the Frio-I Brine Pilot CO2 injection experiment in 2004, distinct geochemical changes in response to the injection of 1600 tons of CO2 were recorded in brine samples collected from the monitoring well. Previous geochemical modeling studies have considered dissolution of calcite and iron oxyhydroxides, or release of adsorbed iron, as the most likely sources of the increased ion concentrations. In this modeling study we explore possible alternative sources of the increasing calcium and iron, based on the data from the detailed petrographic characterization of the Upper Frio Formation "C". Particularly, we evaluate whether dissolution of pyrite and oligoclase (anorthite component) can account for the observed geochemical changes. Due to kinetic limitations, dissolution of pyrite and anorthite cannot account for the increased iron and calcium concentrations on the time scale of the field test (10 days). However, dissolution of these minerals is contributing to carbonate and clay mineral precipitation on the longer time scales (1000 years). We estimated that during the field test dissolution of calcite and iron oxide resulted in similar to 0.02 wt.% loss of the reservoir rock mass. The reactive transport models were constructed for 25 and 59 degrees C temperature and using Pitzer and B-dot activity correction methods. These models predict carbonate minerals, dolomite and ankerite, as well as clay minerals kaolinite, nontronite and montmorillonite, will precipitate in the Frio Formation "C" sandstone as the system progresses toward chemical equilibrium during a 1000-year period. Cumulative uncertainties associated with using different thermodynamic databases, activity correction models (Pitzer vs. B-dot), and extrapolating to reservoir temperature, are manifested in the difference in the predicted mineral phases. However, these models are consistent with regards to the total volume of mineral precipitation and porosity values which are predicted to within 0.002%. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Ilgen, A. G.; Cygan, R. T.] Sandia Natl Labs, Dept Geochem, POB 5800 MS-0754, Albuquerque, NM 87185 USA.
RP Ilgen, AG (reprint author), Sandia Natl Labs, Dept Geochem, POB 5800 MS-0754, Albuquerque, NM 87185 USA.
EM agilgen@sandia.gov
FU Center for Frontiers in Subsurface Energy Security, an Energy Frontier
Research Center - U.S. Department of Energy, Office of Science, Basic
Energy Sciences [DE-SC0001114]; U.S. Department of Energy's National
Nuclear Security Administration [DE-AC04-94AL85000]
FX The authors acknowledge Susan Hovorka and Yousif Kharaka for the
geochemical data from the Frio-I brine experiment, Carlos Jove-Colon for
consultations with regards to the thermodynamic database, Katherine
Klise for converting the Pitzer database into GWB format, and Mona
Aragon for editing graphical abstract. This work was supported as part
of the Center for Frontiers in Subsurface Energy Security, an Energy
Frontier Research Center funded by the U.S. Department of Energy, Office
of Science, Basic Energy Sciences under Award # DE-SC0001114. 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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SN 1750-5836
EI 1878-0148
J9 INT J GREENH GAS CON
JI Int. J. Greenh. Gas Control
PD JAN
PY 2016
VL 44
BP 166
EP 174
DI 10.1016/j.ijggc.2015.11.022
PG 9
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Environmental
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA DB8FV
UT WOS:000368753500016
ER
PT J
AU Li, MX
Ricard, LP
Underschultz, J
Freifeld, BM
AF Li, Melody X.
Ricard, Ludovic P.
Underschultz, James
Freifeld, Barry M.
TI Reducing operational costs of CO2 sequestration through geothermal
energy integration
SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
LA English
DT Article
DE Australia; Carbon storage; CCS flagship; Geothermal direct use; Energy
integration; Electricity; Pressure management
ID CARBON-DIOXIDE SEQUESTRATION; RESERVOIR CONDITIONS; WESTERN-AUSTRALIA;
WORKING FLUID; PERTH BASIN; PROJECT; SYSTEMS; STORAGE; HEAT;
EXPLOITATION
AB Commercial scale Geological Carbon Storage (GCS) projects have high capital costs and energy penalties that could be partially offset by including the production of geothermal energy. An important requirement is to match the geothermal resources available at GCS sites with local market opportunities. This paper examines the key parameters that determine viable economics for various hybrid GCS-Geothermal energy applications with a focus on Australian GCS flagship sites as case study examples linked with the initial observations from a pilot trial at the SECARB Cranfield CO2 demonstration project in Cranfield, Mississippi, USA. At first approximation, offshore GCS-Geothermal coupling seems unlikely due to well costs and the additional engineering requirements. The Perth Basin provides the best opportunity for GCS-Geothermal direct use for desalination. Whilst none of the case study examples would be ideally suited for GCS-Geothermal, insights gained are used to speculate on what conditions would be required for an economically viable opportunity. A strong enabling economic driver is when a GCS project already includes pressure relief water production as part of its base case. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Li, Melody X.] ANLEC R&D, Canberra, ACT 2600, Australia.
[Ricard, Ludovic P.] CSIRO Energy, 26 Dick Perry Ave, Kensington, WA 6151, Australia.
[Underschultz, James] Univ Queensland, Brisbane, Qld 4072, Australia.
[Freifeld, Barry M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Li, MX (reprint author), ANLEC R&D, Canberra, ACT 2600, Australia.
EM melody.xiuhuili@anlecrd.com.au
RI Freifeld, Barry/F-3173-2010; Underschultz, Jim/N-1496-2013
OI Underschultz, Jim/0000-0003-2151-1478
FU Australian National Low Emissions Coal Research and Development (ANLEC
RD); Australian Coal Association Low Emissions Technology Limited;
Australian Government through the Clean Energy Initiative; Assistant
Secretary for Energy Efficiency and Renewable Energy, Geothermal
Technologies Programme of the U.S. Department of Energy
[DE-AC0205CH11231]
FX The authors wish to acknowledge financial assistance provided through
Australian National Low Emissions Coal Research and Development (ANLEC
R&D). ANLEC R&D is supported by Australian Coal Association Low
Emissions Technology Limited and the Australian Government through the
Clean Energy Initiative.; Funding for Lawrence Berkeley National Lab and
the SECARB Cranfield research has been provided by the Assistant
Secretary for Energy Efficiency and Renewable Energy, Geothermal
Technologies Programme of the U.S. Department of Energy under Contract
No. DE-AC0205CH11231.
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SN 1750-5836
EI 1878-0148
J9 INT J GREENH GAS CON
JI Int. J. Greenh. Gas Control
PD JAN
PY 2016
VL 44
BP 238
EP 248
DI 10.1016/j.ijggc.2015.11.012
PG 11
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Environmental
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA DB8FV
UT WOS:000368753500022
ER
PT J
AU Huerta, NJ
Hesse, MA
Bryant, SL
Strazisar, BR
Lopano, C
AF Huerta, Nicolas J.
Hesse, Marc A.
Bryant, Steven L.
Strazisar, Brian R.
Lopano, Christina
TI Reactive transport of CO2-saturated water in a cement fracture:
Application to wellbore leakage during geologic CO2 storage
SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
LA English
DT Article
DE Cement; Wellbore integrity; Reactive transport; Leakage; Fracture
ID CO2-RICH BRINE; IMPROVED MODEL; SEQUESTRATION CONDITIONS; CARBONATED
BRINE; PRECIPITATION; DISSOLUTION; SOLUBILITY; INTERFACES; MECHANISMS;
SEAWATER
AB Time dependence of fluid flux up a leaky well has significant implications for the feasibility of geologic CO2 storage. We present laboratory experiments that study various boundary conditions, fluid fluxes, and residence times to understand the range of behavior in fractured cement cores. Carbonic acid progressively reacts with cement by dissolving phases which neutralize the acid and liberate calcium ions. This dissolution does not increase the aperture of the fracture, due to the formation of an amorphous silicate residue. Where aqueous calcium concentration and pH are sufficiently high calcium carbonates become insoluble and precipitate in the open fracture. When the driving force for fluid flux is a constant pressure differential precipitation leads to a progressive reduction in fluid flux and the development of self-limiting behavior. With sufficient residence time precipitation leads to sealing of the leaky well. Published by Elsevier Ltd.
C1 [Huerta, Nicolas J.; Lopano, Christina] US DOE, Natl Energy Technol Lab, Washington, DC USA.
[Hesse, Marc A.] Univ Texas Austin, Jackson Sch Geosci, Austin, TX 78712 USA.
[Bryant, Steven L.] Univ Calgary, Dept Chem & Petr Engn, Calgary, AB T2N 1N4, Canada.
[Strazisar, Brian R.] RJ Lee Grp Inc, Pittsburgh, PA USA.
RP Huerta, NJ (reprint author), 1450 Queen Ave SW, Albany, OR 97321 USA.
EM nicolas.huerta@netl.doe.gov
RI Hesse, Marc/B-4914-2011
OI Hesse, Marc/0000-0002-2532-3274
FU National Risk Assessment Partnership of the U.S. DOE National Energy
Technology Laboratory; Geological CO2 Storage Industrial Affiliates
Program at the Center for Petroleum and Geosystems Engineering at the
University of Texas at Austin
FX The authors would like to thank Jim Fazio for performing some of the
constant pressure differential experiments and Barbara Kutchko for
discussions on cement chemistry. This work was supported by the National
Risk Assessment Partnership of the U.S. DOE National Energy Technology
Laboratory and from sponsors of the Geological CO2 Storage
Industrial Affiliates Program at the Center for Petroleum and Geosystems
Engineering at the University of Texas at Austin.
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SN 1750-5836
EI 1878-0148
J9 INT J GREENH GAS CON
JI Int. J. Greenh. Gas Control
PD JAN
PY 2016
VL 44
BP 276
EP 289
DI 10.1016/j.ijggc.2015.02.006
PG 14
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Environmental
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA DB8FV
UT WOS:000368753500025
ER
PT J
AU Bacon, DH
Qafoku, NP
Dai, ZX
Keating, EH
Brown, CF
AF Bacon, Diana H.
Qafoku, Nikolla P.
Dai, Zhenxue
Keating, Elizabeth H.
Brown, Christopher F.
TI Modeling the impact of carbon dioxide leakage into an unconfined,
oxidizing carbonate aquifer
SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
LA English
DT Article
DE Aquifer; CO2; Simulation; PHREEQc; STOMP; Trace metals
ID REACTIVE TRANSPORT; CO2 SEQUESTRATION; HETEROGENEOUS AQUIFERS;
GROUNDWATER RESOURCES; DISSOLUTION KINETICS; POTENTIAL IMPACTS;
TRACE-METAL; INTRUSION; STORAGE; SITE
AB Multiphase, reactive transport modeling was used to identify the mechanisms controlling trace metal release under elevated CO2 conditions from a well-characterized carbonate aquifer. Modeling was conducted for both batch and column experiments. The column experiments resulted in higher trace metal concentrations because the rock to water ratio was higher. A kinetic desorption model fits the overall trends in release for seven trace metals observed in batch and column experiments exposing Edwards Aquifer material to elevated concentrations of CO2. Observed and predicted trace metal concentrations are compared to groundwater concentrations from this aquifer to determine the potential for leaking CO2 to adversely impact drinking water quality. Finally, a three-dimensional multiphase flow and reactive transport simulation of CO2 leakage from an abandoned wellbore into a generalized model of the shallow, unconfined portion of the aquifer is used to determine potential impacts on groundwater quality. As a measure of adverse impacts on groundwater quality, both the EPA's regulatory limits and the maximum trace metal concentration observed in the aquifer were used as threshold values. Results of the field scale simulations indicate that CO2 leakage into a carbonate aquifer is likely to cause decreases in pH and increases in TDS beyond observed ranges in the aquifer and beyond regulatory limits. However, trace metal concentrations are not predicted to exceed either the observed maximums or the regulatory limits. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Bacon, Diana H.; Qafoku, Nikolla P.; Brown, Christopher F.] Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN K9-33, Richland, WA 99352 USA.
[Dai, Zhenxue; Keating, Elizabeth H.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
RP Bacon, DH (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN K9-33, Richland, WA 99352 USA.
EM diana.bacon@pnnl.gov
OI Bacon, Diana/0000-0001-9122-5333; Qafoku, Nikolla
P./0000-0002-3258-5379; Dai, Zhenxue/0000-0002-0805-7621
FU NRAP under DOE [DE-AC05-76RL01830]; DOE's Office of Biological and
Environmental Research and located at PNNL
FX The U.S. Department of Energy's (DOE's) Office of Fossil Energy has
established the National Risk Assessment Partnership (NRAP) Project. The
research presented in this report was completed as part of the
groundwater protection task of the NRAP Project. NRAP funding was
provided to Pacific Northwest National Laboratory (PNNL) under DOE
contract number DE-AC05-76RL01830. A portion of the experimental
research was performed using the Environmental Molecular Sciences
Laboratory (EMSL), a national scientific user facility sponsored by
DOE's Office of Biological and Environmental Research and located at
PNNL. A portion of the modeling research was performed using PNNL
Institutional Computing facilities.
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SN 1750-5836
EI 1878-0148
J9 INT J GREENH GAS CON
JI Int. J. Greenh. Gas Control
PD JAN
PY 2016
VL 44
BP 290
EP 299
DI 10.1016/j.ijggc.2015.04.008
PG 10
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Environmental
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA DB8FV
UT WOS:000368753500026
ER
PT J
AU Zheng, LG
Qafoku, NP
Lawter, A
Wang, GH
Shao, HB
Brown, CF
AF Zheng, Liange
Qafoku, Nikolla P.
Lawter, Amanda
Wang, Guohui
Shao, Hongbo
Brown, Christopher F.
TI Evaluating impacts of CO2 intrusion into an unconsolidated aquifer: II.
Modeling results
SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
LA English
DT Article
DE CO2 gas; Groundwater contamination; Modeling; Contaminant release
ID FRESH-WATER RESOURCES; BATCH-REACTION EXPERIMENT; METAL RELEASE;
GEOCHEMICAL IMPACTS; GROUNDWATER QUALITY; SEDIMENTARY BASINS; GEOLOGICAL
STORAGE; ROCK INTERACTIONS; POTABLE AQUIFERS; FRIO-FORMATION
AB Large scale deployment of CO2 geological sequestration requires the assessment of the risks. One of the potential risks is the impact of CO2 leakage on shallow groundwater overlying the sequestration site.The understanding of the key chemical processes and parameters are critical for building numerical models for risk assessment. Model interpretation of laboratory and field tests is an effective way to enhance such understanding. As part of this investigation, column experiments in which the CO2 saturated synthetic groundwater flowed through a column packed with materials from the High Plains aquifer, were conducted. Changes in concentrations of several constituents in the column effluent and pH were determined. In this paper, a reactive transport model was developed to describe and interpret the observed concentration changes, attempting to shed light on the chemical reactions and mechanisms and key parameters that control the changes in effluent chemistry. The reactive transport model described fairly well the changes in pH and the concentration changes of Ca, Mg, Ba, Sr, Cs, As and Pb. Calcite dissolution and Ca -driven cation exchange reactions were the major drivers for the concentration changes of Ca, Ba, Sr, and Cs. The pH -driven adsorption/desorption reactions led to a concentration increase of As and Pb. The volume fraction and reactive surface area of calcite, CEC and sorption capacity were key parameters in controlling the magnitude of concentration increase. Model results also showed that Ba, which is an important chemical element released into the aqueous phase during these experiments, may be incorporated into the calcite crystal structure and the dissolution of Ba-bearing calcite could be an alternative pathway to explain the increase in aqueous Ba concentration when sediments are exposed to the CO2 saturated leaching groundwater. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Zheng, Liange] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Qafoku, Nikolla P.; Lawter, Amanda; Wang, Guohui; Shao, Hongbo; Brown, Christopher F.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Qafoku, NP (reprint author), Pacific NW Natl Lab, Earth Syst Sci Div, Geosci Grp, 902 Battelle Blvd,POB 999,MSIN P7-58, Richland, WA 99352 USA.
EM nik.qafoku@pnl.gov
RI zheng, liange/B-9748-2011
OI zheng, liange/0000-0002-9376-2535
FU National Risk Assessment Partnership (NRAP) in the U.S. DOE Office of
Fossil Energy under DOE [DE AC05 76RL01830]; Department of Energy's
Office of Biological and Environmental Research and located at PNNL;
U.S. DOE [DE-AC06-76RLO 1830]
FX Funding for this research was provided by the National Risk Assessment
Partnership (NRAP) in the U.S. DOE Office of Fossil Energy under DOE
contract number DE AC05 76RL01830. XRD and SEM analysis were performed
in 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 PNNL.PNNL is
operated by Battelle for the U.S. DOE under contract DE-AC06-76RLO 1830.
Samples were obtained from the Kansas Geological Survey at Kansas
University.
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SN 1750-5836
EI 1878-0148
J9 INT J GREENH GAS CON
JI Int. J. Greenh. Gas Control
PD JAN
PY 2016
VL 44
BP 300
EP 309
DI 10.1016/j.ijggc.2015.07.001
PG 10
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Environmental
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA DB8FV
UT WOS:000368753500027
ER
PT J
AU Wang, GH
Qafoku, NP
Lawter, AR
Bowden, M
Harvey, O
Sullivan, C
Brown, CF
AF Wang, Guohui
Qafoku, Nikolla P.
Lawter, Amanda R.
Bowden, Mark
Harvey, Omar
Sullivan, Charlotte
Brown, Christopher F.
TI Geochemical impacts of leaking CO2 from subsurface storage reservoirs to
an unconfined oxidizing carbonate aquifer
SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
LA English
DT Article
DE CO2 gas leakage; Batch and column experiments; Release of major; Minor
and trace elements
ID FRESH-WATER RESOURCES; SHALLOW GROUNDWATER SYSTEM; BATCH-REACTION
EXPERIMENT; NATURAL ANALOG SITE; GEOLOGICAL STORAGE; POTABLE AQUIFERS;
METAL RELEASE; LEAKAGE; FIELD; DIOXIDE
AB A series of batch and column experiments combined with solid phase characterization studies was conducted to evaluate the impacts of the potential leakage of carbon dioxide (CO2) from deep subsurface storage reservoirs to overlying potable carbonate aquifers. The main objective was to gain an understanding on CO2 gas-induced changes in aquifer pH and mobilization of major, minor, and trace elements from dissolving minerals in rocks representative of an unconfined, oxidizing carbonate aquifer within the continental US. Samples from the unconfined portion of the Edwards limestone aquifer in Texas were exposed to a CO2 gas stream or were leached with a CO2-saturated influent solution simulating different leaking scenarios [i.e., sudden, fast, and short-lived release of CO2 (batch experiments) and gradual release (column experiments)]. The results from the batch and column experiments confirmed that exposure to excess CO2 gas caused significant decrease in pH (about two pH units); the release of major chemical elements into the contacting aqueous phase (such as Ca, Mg, Ba, Sr, Si, Na, and K); the mobilization and possible rapid immobilization of minor elements (such as Al and Mn), which are able to form highly reactive secondary phases; and sustained but low-concentration releases of some trace elements (such as Mo, Cs, Sn) in some samples. Spikes of low concentrations of other trace elements (such as As, Cd, Pb, Cu, Zn, Se, etc.), were observed sporadically during these experiments. The results help in developing a systematic understanding of how CO2 leakage is likely to influence pertinent geochemical processes (such as dissolution/precipitation and sorption/desorption) in the aquifer sediments and will support site selection, risk assessment, policy-making, and public education efforts associated with geologic CO2 sequestration. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Wang, Guohui; Qafoku, Nikolla P.; Lawter, Amanda R.; Sullivan, Charlotte; Brown, Christopher F.] Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN P7-54, Richland, WA 99352 USA.
[Bowden, Mark] Pacific NW Natl Lab, Emvironm Mol Sci Lab, Richland, WA 99352 USA.
[Harvey, Omar] Univ So Mississippi, Hattiesburg, MS 39406 USA.
RP Qafoku, NP (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN P7-54, Richland, WA 99352 USA.
EM nik.qafoku@pnnl.gov
FU NRAP under DOE [DE-AC05-76RL01830]
FX The U.S. Department of Energy's (DOE's) Office of Fossil Energy has
established the National Risk Assessment Partnership (NRAP) Project to
better understand and predict risk at CO2 sequestration
sites. The research presented in this paper was completed as part of the
GW protection task of the NRAP Project. NRAP funding was provided to
PNNL under DOE contract number DE-AC05-76RL01830. The research presented
in this paper was conducted in part in the Environmental Molecular
Sciences Laboratory, which is a national scientific user facility
located at PNNL and operated by Battelle Memorial Institute on behalf of
the U.S. DOE OBER. SEM and EDS measurements were taken by Isaac Carrot
and we are grateful for his efforts.
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SN 1750-5836
EI 1878-0148
J9 INT J GREENH GAS CON
JI Int. J. Greenh. Gas Control
PD JAN
PY 2016
VL 44
BP 310
EP 322
DI 10.1016/j.ijggc.2015.07.002
PG 13
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Environmental
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA DB8FV
UT WOS:000368753500028
ER
PT J
AU Lawter, A
Qafoku, NP
Wang, GH
Shao, HB
Brown, CF
AF Lawter, Amanda
Qafoku, Nikolla P.
Wang, Guohui
Shao, Hongbo
Brown, Christopher F.
TI Evaluating impacts of CO2 intrusion into an unconsolidated aquifer: I.
Experimental data
SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
LA English
DT Article
DE CO2 gas; Groundwater contamination; Contaminant release
ID FRESH-WATER RESOURCES; BATCH-REACTION EXPERIMENT; GEOLOGICAL STORAGE;
CARBON-DIOXIDE; GEOCHEMICAL IMPACTS; POTENTIAL IMPACTS; POTABLE
AQUIFERS; LEAKAGE; GROUNDWATER; SEQUESTRATION
AB Capture and deep subsurface sequestration of CO2 has been identified as a potential mitigation technique for rising atmospheric CO2 concentrations. Sequestered CO2 represents a potential risk to overlying aquifers if the CO2 leaks from the deep storage complex. Batch and column experiments combined with wet chemical extractions were conducted to evaluate these risks to groundwater quality and to understand effects of unintentional release of CO2 on groundwater chemistry and aquifer mineralogy. Sediments from the High Plains aquifer in Kansas, a largely unconsolidated aquifer, were used to study time -dependent release of major, minor and trace elements when exposed to CO2 gas. Results showed that Ca, Ba, Si, Mg, Sr, Na, and K increased either within the first 4 h or followed nonlinear increasing trends with time, indicating that dissolution and/or desorption reactions controlled their release. In addition, other elements (e.g., Fe and Mn) and trace elements (e.g., As, Cu, Cr, Pb) were released during batch and column experiments, demonstrating the possibility for changes in mineralogy and groundwater quality degradation due to exposure to seepage of sequestered CO2. National drinking water regulations were exceeded for As and Mn in the batch experiments, and As, Se, Mn, Pb and Hg in the column experiments, despite low levels of these contaminants found in the sediments. In addition, the concentration of another potential contaminant, i.e., Mo, was consistently higher in the control batch experiments (i.e., absence of CO2) but was below detection in the presence of CO2 indicating a potential for removal of elements by CO2 gas exposure. Although results will be site specific for the High Plains aquifer and other mostly unconsolidated aquifers, these investigations will provide useful information to support site selection, risk assessment, and public education efforts associated with geological CO2 storage and sequestration. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Lawter, Amanda; Qafoku, Nikolla P.; Wang, Guohui; Shao, Hongbo; Brown, Christopher F.] Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN P7-54, Richland, WA 99352 USA.
RP Lawter, A (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN P7-54, Richland, WA 99352 USA.
EM amanda.lawter@pnnl.gov
FU National Risk Assessment Partnership (NRAP) in the U.S. DOE Office of
Fossil Energy under DOE [DE AC05 76RL01830]; Department of Energy's
Office of Biological and Environmental Research and located at PNNL;
U.S. DOE [DE-AC06-76RLO 1830]
FX Funding for this research was provided by the National Risk Assessment
Partnership (NRAP) in the U.S. DOE Office of Fossil Energy under DOE
contract number DE AC05 76RL01830. XRD and SEM analysis were performed
in 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 PNNL. PNNL is
operated by Battelle for the U.S. DOE under Contract DE-AC06-76RLO 1830.
Samples were obtained from the Kansas Geological Survey at Kansas
University.
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SN 1750-5836
EI 1878-0148
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JI Int. J. Greenh. Gas Control
PD JAN
PY 2016
VL 44
BP 323
EP 333
DI 10.1016/j.ijggc.2015.07.009
PG 11
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Environmental
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA DB8FV
UT WOS:000368753500029
ER
PT J
AU Knezevic, M
Crapps, J
Beyerlein, IJ
Coughlin, DR
Clarke, KD
McCabe, RJ
AF Knezevic, Marko
Crapps, Justin
Beyerlein, Irene J.
Coughlin, Daniel R.
Clarke, Kester D.
McCabe, Rodney J.
TI Anisotropic modeling of structural components using embedded crystal
plasticity constructive laws within finite elements
SO INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES
LA English
DT Article
DE Copper; Uranium; Constitutive modeling; Finite element method; Texture
ID STRAIN-PATH CHANGES; POLYCRYSTALLINE HCP/BCC COMPOSITES;
X-RAY-DIFFRACTION; ALPHA-URANIUM; TEXTURE EVOLUTION; CRYSTALLOGRAPHIC
TEXTURE; DEFORMATION-BEHAVIOR; MECHANICAL RESPONSE; PROPERTY CLOSURES;
DISLOCATION DENSITY
AB Pins are commonly used to join members of mechanical mechanisms. In order to maintain the integrity of the joint and prevent failure, there must be sufficient material of adequate strength around the pin hole to sustain the bearing and tear out loads from the pin connection. In this work, a multi-scale materials simulation model based on finite elements (FE) is developed for design and evaluation of materials for such applications. We specifically examine several constitutive models for simulating the elasto-plastic behavior of the plate material while maintaining computational efficiency. Here, models are developed for two plate materials: copper (Cu) and alpha-uranium (alpha-U), with vastly different plastic behaviors owing to their crystal structures and crystallographic textures. For Cu, digital image correlation (DIC) tests are carried out during loading of the plate/pin assembly to characterize the strain distributions in the critical hole/pin area. The corresponding FE simulations are carried out using a combination of constitutive laws involving a fine-scale polycrystal plasticity calculation, a J2 flow theory, or a combination of both. We show that the FE model using the fine-scale polycrystal plasticity constitutive law successfully captures the DIC strain fields in the hole region at different plate displacements. Surprisingly, use of the more computationally efficient J2 plasticity model also produces reasonable results in comparison with the measurements and the fine-scale constitutive law. An interesting finding is that combining fine-scale constitutive laws in the region surrounding the hole and continuum J2 theory elsewhere gives the worst agreement. It also precariously produces non-conservative estimates for the hole opening with applied displacement. These results on Cu helped subsequent simulations on a-U, where use of the fine-scale polycrystal simulation is fundamental considering the highly plastic anisotropic response of this complicated material. We demonstrate that in the alpha-U plates, the localized deformation in the hole region is highly dependent on the direction of displacement. (c) 2015 Elsevier Ltd. All rights reserved.
C1 [Knezevic, Marko] Univ New Hampshire, Dept Mech Engn, 33 Acad Way,Kingsbury Hall,W119, Durham, NH 03824 USA.
[Crapps, Justin] ExxonMobil Upstream Res Co, Mech Mat Sect, Houston, TX 77098 USA.
[Beyerlein, Irene J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Coughlin, Daniel R.; Clarke, Kester D.; McCabe, Rodney J.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
RP Knezevic, M (reprint author), Univ New Hampshire, Dept Mech Engn, 33 Acad Way,Kingsbury Hall,W119, Durham, NH 03824 USA.
EM marko.knezevic@unh.edu
RI Clarke, Kester/R-9976-2016;
OI McCabe, Rodney /0000-0002-6684-7410
FU Los Alamos National Laboratory Directed Research and Development (LDRD)
[20140630ER]; DOE [DE-AC52-06NA25396]; Seaborg Institute
FX This work was supported by the Los Alamos National Laboratory Directed
Research and Development (LDRD) project 20140630ER. Los Alamos National
Laboratory is operated by Los Alamos National Security LLC under DOE
Contract DE-AC52-06NA25396. M. K. gratefully acknowledges the Seaborg
Institute for partial financial support under a Post-Doctoral Fellowship
through the LANL LDRD Program.
NR 94
TC 10
Z9 10
U1 7
U2 10
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0020-7403
EI 1879-2162
J9 INT J MECH SCI
JI Int. J. Mech. Sci.
PD JAN
PY 2016
VL 105
BP 227
EP 238
DI 10.1016/j.ijmecsci.2015.11.021
PG 12
WC Engineering, Mechanical; Mechanics
SC Engineering; Mechanics
GA DC1JN
UT WOS:000368972700020
ER
PT J
AU Logue, JM
Turner, WJN
Walker, IS
Singer, BC
AF Logue, Jennifer M.
Turner, William J. N.
Walker, Iain S.
Singer, Brett C.
TI A simplified model for estimating population-scale energy impacts of
building envelope air tightening and mechanical ventilation retrofits
SO JOURNAL OF BUILDING PERFORMANCE SIMULATION
LA English
DT Article
DE ventilation; energy; air tightening; weatherization; retrofit; policy
ID INFILTRATION HEAT-RECOVERY; FIELD
AB Changing the air exchange rate of a home affects the annual thermal conditioning energy. Large-scale changes to air exchange rates of the housing stock can significantly alter the residential sector's energy consumption. However, the complexity of existing residential energy models is a barrier to the accurate quantification of the impact of policy changes on a state or national level. The Incremental Ventilation Energy (IVE) model introduced here combines the output of simple air exchange models with a limited set of housing characteristics to estimate the associated change in energy demand of homes. The IVE model was designed specifically to enable modellers to use existing databases of housing characteristics to determine the impact of ventilation policy change on a population scale. The IVE model estimates of energy change when applied to US homes with limited parameterization are shown to be comparable to the estimates of a well-validated, complex residential energy model.
C1 [Logue, Jennifer M.; Turner, William J. N.; Walker, Iain S.; Singer, Brett C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Residential Bldg Syst Grp, Environm Energy Technol Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Turner, William J. N.] Univ Dublin Trinity Coll, Dept Civil Struct & Environm Engn, Coll Green, Museum Bldg, Dublin 2, Ireland.
RP Turner, WJN (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Residential Bldg Syst Grp, Environm Energy Technol Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM will.turner@tcd.ie
FU US Department of Energy Building Technologies Program, Office of Energy
Efficiency and Renewable Energy under Department of Energy
[DE-AC02-05CH11231]; US Department of Housing and Urban Development,
Office of Healthy Homes and Lead Hazard Control [I-PHI-01070]; US
Environmental Protection Agency Office of Air and Radiation
[DW-89-92322201-0]; CEC [500-08-061]
FX Funding was provided by the US Department of Energy Building
Technologies Program, Office of Energy Efficiency and Renewable Energy
under Department of Energy Contract No. DE-AC02-05CH11231; by the US
Department of Housing and Urban Development, Office of Healthy Homes and
Lead Hazard Control through Interagency Agreement I-PHI-01070; by the US
Environmental Protection Agency Office of Air and Radiation through
Interagency Agreement DW-89-92322201-0 and by the CEC through Contract
500-08-061.
NR 28
TC 0
Z9 0
U1 0
U2 3
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND
SN 1940-1493
EI 1940-1507
J9 J BUILD PERFORM SIMU
JI J. Build. Perf. Simul.
PD JAN
PY 2016
VL 9
IS 1
BP 1
EP 16
DI 10.1080/19401493.2014.993710
PG 16
WC Construction & Building Technology
SC Construction & Building Technology
GA DB7KN
UT WOS:000368694100001
ER
PT J
AU Tai, S
Williams, NJ
Carrick, JD
AF Tai, Serene
Williams, Neil J.
Carrick, Jesse D.
TI Synthesis of Bis-1,2,4-triazines via Telescoped Condensation of
[1,10]-Phenanthroline-2,9-dicarbonitrile with Aromatic 1,2-Dicarbonyls
SO JOURNAL OF HETEROCYCLIC CHEMISTRY
LA English
DT Article
ID EXTRACTION; LIGANDS; SEPARATION; COMPLEXATION; LANTHANIDES; ACTINIDES;
AM(III); EU(III)
AB Efficient separation of minor actinides from spent nuclear fuel remains a formidable challenge. As part of ongoing efforts to identify effective ligands for separation of toxic radionuclides, a series of bis-1,2,4-triazines, three novel, have been prepared from [1,10]-phenanthroline-2,9-dicarbonitrile in two-telescoped steps without additives, complicated workups, prolonged reaction times, or additional purification.
C1 [Tai, Serene; Carrick, Jesse D.] Tennessee Technol Univ, Dept Chem, 55 Univ Dr, Cookeville, TN 38505 USA.
[Williams, Neil J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Carrick, JD (reprint author), Tennessee Technol Univ, Dept Chem, 55 Univ Dr, Cookeville, TN 38505 USA.
EM jcarrick@tntech.edu
FU Fuel Cycle Research and Development program, Office of Nuclear Energy,
U.S. Department of Energy; TTU Department of Chemistry; NSF-RUI
[9970016]
FX Financial support for this project was provided by a grant from the Fuel
Cycle Research and Development program, Office of Nuclear Energy, U.S.
Department of Energy, and the TTU Department of Chemistry. Support from
NSF-RUI 9970016 is gratefully acknowledged for the acquisition of the
department's 300 MHz NMR spectrometer. The authors would also like to
thank Dr. Markus W. Voehler (VU) for acquisition of NMR data for 19 and
22. Profs. Dale D. Ensor and Janet G. Coonce (TTU) and Dr. Laetitia H.
Delmau (ORNL) are acknowledged for helpful discussions. The University
of Alabama and Dr. Qiaoli Liang (UA) are gratefully acknowledged for
acquisition of HRMS data.
NR 18
TC 1
Z9 1
U1 0
U2 5
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0022-152X
EI 1943-5193
J9 J HETEROCYCLIC CHEM
JI J. Heterocycl. Chem.
PD JAN
PY 2016
VL 53
IS 1
BP 307
EP 312
DI 10.1002/jhet.2295
PG 6
WC Chemistry, Organic
SC Chemistry
GA DC1UU
UT WOS:000369003300041
ER
PT J
AU Lin, YZ
Wang, JY
Li, TF
Wu, Y
Wang, C
Han, L
Yao, YH
Ma, W
Zhan, XW
AF Lin, Yuze
Wang, Jiayu
Li, Tengfei
Wu, Yang
Wang, Cheng
Han, Lei
Yao, Yuehan
Ma, Wei
Zhan, Xiaowei
TI Efficient fullerene-free organic solar cells based on fused-ring
oligomer molecules
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID ELECTRON-ACCEPTORS; PHOTOVOLTAIC CELLS; POLYMER; DONOR; BLENDS;
DIKETOPYRROLOPYRROLE; BENZODITHIOPHENE; DONOR/ACCEPTOR; MISCIBILITY;
AGGREGATION
AB We design and synthesize monodisperse fused-ring oligomer molecules benzo[1,2-b:4,5-b'] dithiophene (BDT) flanked with electron-withdrawing diketopyrrolopyrrole (DPP). A tiny change in the side chain induces significant variation in crystallinity, phase separation, charge transport and photovoltaic properties of the semiconductors. BDTS-2DPP with linear alkylthio substituents exhibits a much higher hole mobility of 1.1 x 10(-2) cm(2) V-1 s(-1) than the branched alkyl substituted BDT-2DPP (3.0 x 10(-3) cm(2) V-1 s(-1)). The LUMO (-3.49 eV) and HOMO (-5.28 eV) energy levels of BDTS-2DPP are lower than those of BDT-2DPP (-3.46 eV and -5.23 eV) due to the pi-acceptor capability of the sulfur atom. Fullerene-free organic solar cells using BDTS-2DPP as a donor and monodisperse fused-ring oligomer molecule IEIC as an acceptor exhibit higher open-circuit voltage, short-circuit current density, fill factor and power conversion efficiency (PCE, 5.29%) than the BDT-2DPP control devices (PCE = 4.00%) with the conventional structure. The inverted devices based on BDTS-2DPP:IEIC show an improved PCE of 6.03% relative to the conventional devices. Atomic force microscopy, grazing incident wide-angle X-ray diffraction and resonant soft X-ray scattering are used to deeply investigate the molecular packing, phase separation and surface aggregation of the blended films and to understand the effect of molecular side chains. We find that the linear alkylthio substitution in BDTS-2DPP improves the crystallinity and unexpectedly reserves small phase separation domains in the blend.
C1 [Lin, Yuze; Wang, Jiayu; Li, Tengfei; Han, Lei; Yao, Yuehan; Zhan, Xiaowei] Peking Univ, Dept Mat Sci & Engn, Coll Engn, Key Lab Polymer Chem & Phys,Minist Educ, Beijing 100871, Peoples R China.
[Lin, Yuze] Capital Normal Univ, Dept Chem, Beijing 100048, Peoples R China.
[Wu, Yang; Ma, Wei] Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China.
[Wang, Cheng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Zhan, XW (reprint author), Peking Univ, Dept Mat Sci & Engn, Coll Engn, Key Lab Polymer Chem & Phys,Minist Educ, Beijing 100871, Peoples R China.; Ma, W (reprint author), Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China.
EM msewma@mail.xjtu.edu.cn; xwzhan@pku.edu.cn
RI MA, Wei/E-1254-2013; Zhan, Xiaowei/N-9140-2013; Wang, Cheng/A-9815-2014;
OI MA, Wei/0000-0001-6926-1960; Ma, Wei/0000-0002-7239-2010
FU NSFC [91433114, 51261130582, 21504058, 21504006, 21534003]; Office of
Science, Office of Basic Energy Sciences of the U.S. Department of
Energy [DE-AC02-05CH11231]
FX We thank the NSFC (91433114, 51261130582, 21504058, 21504006, 21534003)
for financial support. X-ray data were acquired at beamlines 7.3.3 and
11.0.1.2 at the Advanced Light Source, which 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
Supercomputing Center of Chinese Academy of Sciences is acknowledged for
molecular modeling.
NR 61
TC 9
Z9 9
U1 37
U2 110
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
EI 2050-7496
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2016
VL 4
IS 4
BP 1486
EP 1494
DI 10.1039/c5ta10424f
PG 9
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA DB9LP
UT WOS:000368837800041
ER
PT J
AU Cordoba, A
Stieger, T
Mazza, MG
Schoen, M
de Pablo, JJ
AF Cordoba, Andres
Stieger, Tillmann
Mazza, Marco G.
Schoen, Martin
de Pablo, Juan J.
TI Anisotropy and probe-medium interactions in the microrheology of nematic
fluids
SO JOURNAL OF RHEOLOGY
LA English
DT Article
ID LIQUID-CRYSTALLINE SOLUTIONS; MOLECULAR-DYNAMICS; TRACKING
MICRORHEOLOGY; COMPLEX FLUIDS; F-ACTIN; FLOW; PARTICLE; POLYMER; SPHERE;
NANOPARTICLES
AB A theoretical formalism is presented to analyze and interpret microrheology experiments in anisotropic fluids with nematic order. The predictions of that approach are examined in the context of a simple coarse-grained molecular model which is simulated using nonequilibrium molecular dynamics calculations. The proposed formalism is used to study the effect of confinement, the type of anchoring at the probe-particle surface, and the strength of the nematic field on the rheological response functions obtained from probe-particle active microrheology. As expected, a stronger nematic field leads to increased anisotropy in the rheological response of the material. It is also found that the defect structures that arise around the probe particle, which are determined by the type of anchoring and the particle size, have a significant effect on the rheological response observed in microrheology simulations. Independent estimates of the bulk dynamic modulus of the model nematic fluid considered here are obtained from small-amplitude oscillatory shear simulations with Lees Edwards boundary conditions. The results of simulations indicate that the dynamic modulus extracted from particle-probe microrheology is different from that obtained in the absence of the particle, but that the differences decrease as the size of the defect also decreases. Importantly, the results of the nematic microrheology theory proposed here are in much closer agreement with simulations than those from earlier formalisms conceived for isotropic fluids. As such, it is anticipated that the theoretical framework advanced in this study could provide a useful tool for interpretation of microrheology experiments in systems such as liquid crystals and confined macromolecular solutions or gels. (C) 2016 The Society of Rheology.
C1 [Cordoba, Andres; de Pablo, Juan J.] Univ Chicago, Inst Mol Engn, 5747 South Ellis Ave, Chicago, IL 60637 USA.
[Stieger, Tillmann; Schoen, Martin] Tech Univ Berlin, Stranski Lab Phys & Theoret Chem, Str 17 Juni 115, D-10623 Berlin, Germany.
[Mazza, Marco G.] MPIDS, Fassberg 17, D-37077 Gottingen, Germany.
[Schoen, Martin] N Carolina State Univ, Dept Chem & Biomol Engn, 911 Partners Way, Raleigh, NC 27695 USA.
[de Pablo, Juan J.] Argonne Natl Lab, Inst Mol Engn, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP de Pablo, JJ (reprint author), Univ Chicago, Inst Mol Engn, 5747 South Ellis Ave, Chicago, IL 60637 USA.; de Pablo, JJ (reprint author), Argonne Natl Lab, Inst Mol Engn, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM depablo@uchicago.edu
RI Cordoba Uribe, Andres/G-3294-2012
OI Cordoba Uribe, Andres/0000-0001-8775-5251
FU National Science Foundation [DMR-1410674]; University of Chicago MRSEC
[DMR-1420709]
FX The molecular dynamics simulations of a coarse-grained model reported in
this work were supported by the National Science Foundation through
grant DMR-1410674. The development of the theoretical model for
description of the motion of colloidal particles in a liquid crystal is
supported by the University of Chicago MRSEC, through grant DMR-1420709.
NR 83
TC 0
Z9 0
U1 4
U2 9
PU JOURNAL RHEOLOGY AMER INST PHYSICS
PI MELVILLE
PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA
SN 0148-6055
J9 J RHEOL
JI J. Rheol.
PD JAN-FEB
PY 2016
VL 60
IS 1
BP 75
EP 95
DI 10.1122/1.4935849
PG 21
WC Mechanics
SC Mechanics
GA DC1IP
UT WOS:000368970300006
ER
PT J
AU Fujihashi, Y
Fleming, GR
Ishizaki, A
AF Fujihashi, Yuta
Fleming, Graham R.
Ishizaki, Akihito
TI Influences of Quantum Mechanically Mixed Electronic and Vibrational
Pigment States in 2D Electronic Spectra of Photosynthetic Systems:
Strong Electronic Coupling Cases
SO JOURNAL OF THE CHINESE CHEMICAL SOCIETY
LA English
DT Article
DE Photosynthetic energy transfer; Dissipative quantum dynamics; 2D
electronic spectra
ID LIGHT-HARVESTING COMPLEXES; EXCITATION-ENERGY TRANSFER; GREEN SULFUR
BACTERIA; PHYSIOLOGICAL TEMPERATURE; VIBRONIC COHERENCE; FMO COMPLEX;
SPECTROSCOPY; PROTEIN; ANTENNA; DIFFERENCE
AB In 2D electronic spectroscopy studies, long-lived quantum beats have recently been observed in photosynthetic systems, and several theoretical studies have suggested that the beats are produced by quantum mechanically mixed electronic and vibrational states. Concerning the electronic-vibrational quantum mixtures, the impact of protein-induced fluctuations was examined by calculating the 2D electronic spectra of a weakly coupled dimer with the Franck-Condon active vibrational modes in the resonant condition [Fujihashi et al., J. Chem. Phys. 2015, 142, 212403.]. This analysis demonstrated that quantum mixtures of the vibronic resonance are rather robust under the influence of the fluctuations at cryogenic temperatures, whereas the mixtures are eradicated by the fluctuations at physiological temperatures. However, this conclusion cannot be generalized because the magnitude of the coupling inducing the quantum mixtures is proportional to the inter-pigment electronic coupling. In this study, we explore the impact of the fluctuations on electronic-vibrational quantum mixtures in a strongly coupled dimer with an off-resonant vibrational mode. Toward this end, we calculate energy transfer dynamics and 2D electronic spectra of a model dimer that corresponds to the most strongly coupled bacteriochlorophyll molecules in the Fenna-Matthews-Olson complex in a numerically accurate manner. The quantum mixtures are found to be robust under the exposure of protein-induced fluctuations at cryogenic temperatures, irrespective of the resonance. At 300K, however, the quantum mixing is disturbed more strongly by the fluctuations, and therefore, the beats in the 2D spectra become obscure even in a strongly coupled dimer with a resonant vibrational mode. Further, the overall behaviors of the energy transfer dynamics are demonstrated to be dominated by the environment and coupling between the 0 0 vibronic transitions as long as the Huang-Rhys factor of the vibrational mode is small. The electronic-vibrational quantum mixtures do not necessarily play a significant role in electronic energy transfer dynamics despite contributing to the enhancement of long-lived quantum beating in the 2D spectra.
C1 [Fujihashi, Yuta; Ishizaki, Akihito] Natl Inst Nat Sci, Inst Mol Sci, 38 Nishigonaka, Okazaki, Aichi 4448585, Japan.
[Fleming, Graham R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley & Phys Biosci Div, Dept Chem, Berkeley, CA 94720 USA.
RP Ishizaki, A (reprint author), Natl Inst Nat Sci, Inst Mol Sci, 38 Nishigonaka, Okazaki, Aichi 4448585, Japan.
EM ishizaki@ims.ac.jp
FU Japan Society for the Promotion of Science [25708003]; U.S. Department
of Energy, Office of Science, Office of Basic Energy Sciences, Chemical
Sciences, Geosciences, and Biosciences Division
FX This study was supported by a Grant-in-Aid for Scientific Research (No.
25708003) from the Japan Society for the Promotion of Science and the
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Chemical Sciences, Geosciences, and Biosciences Division.
NR 51
TC 1
Z9 1
U1 3
U2 17
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 0009-4536
EI 2192-6549
J9 J CHIN CHEM SOC-TAIP
JI J. Chin. Chem. Soc.
PD JAN
PY 2016
VL 63
IS 1
BP 49
EP 56
DI 10.1002/jccs.201500100
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA DC1YQ
UT WOS:000369014800004
ER
PT J
AU Dunn, A
Dingreville, R
Capolungo, L
AF Dunn, Aaron
Dingreville, Remi
Capolungo, Laurent
TI Multi-scale simulation of radiation damage accumulation and subsequent
hardening in neutron-irradiated alpha-Fe
SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
LA English
DT Article
DE radiation defects; cascade damage; radiation hardening; crystal
plasticity; cluster dynamics
ID STOCHASTIC CLUSTER DYNAMICS; SELF-INTERSTITIAL ATOM; CR MODEL ALLOYS;
DISLOCATION DYNAMICS; CRYSTAL PLASTICITY; MICROSTRUCTURAL EVOLUTION;
MECHANICAL-BEHAVIOR; SINGLE CRYSTALS; DOSE DEPENDENCE; STAINLESS-STEEL
AB A hierarchical methodology is introduced to predict the effects of radiation damage and irradiation conditions on the yield stress and internal stress heterogeneity developments in polycrystalline alpha-Fe. Simulations of defect accumulation under displacement cascade damage conditions are performed using spatially resolved stochastic cluster dynamics. The resulting void and dislocation loop concentrations and average sizes are then input into a crystal plasticity formulation that accounts for the change in critical resolved shear stress due to the presence of radiation induced defects. The simulated polycrystalline tensile tests show a good match to experimental hardening data over a wide range of irradiation doses. With this capability, stress heterogeneity development and the effect of dose rate on hardening is investigated. The model predicts increased hardening at higher dose rates for low total doses. By contrast, at doses above 10(-2) dpa when cascade overlap becomes significant, the model does not predict significantly different hardening for different dose rates. The development of such a model enables simulation of radiation damage accumulation and associated hardening without relying on experimental data as an input under a wide range of irradiation conditions such as dose, dose rate, and temperature.
C1 [Dunn, Aaron] CNRS, George W Woodruff Sch Mech Engn, Georgia Inst Technol, UMI Georgia Tech 2958, F-57070 Metz, France.
[Dunn, Aaron; Dingreville, Remi] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Dunn, A (reprint author), CNRS, George W Woodruff Sch Mech Engn, Georgia Inst Technol, UMI Georgia Tech 2958, F-57070 Metz, France.
EM adunn32@gatech.edu
FU Laboratory Directed Research and Development program at Sandia National
Laboratories [DE-AC04-94AL85000]; US Department of Energy's Nuclear
Energy University Program [DE-NE0000678]; Sandia National
Laboratories/Georgia Tech Excellence in Engineering Research Program
FX Supported by the Laboratory Directed Research and Development program at
Sandia National Laboratories, 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.; This work is
also supported by the US Department of Energy's Nuclear Energy
University Program (DE-NE0000678).; This work is also supported by the
Sandia National Laboratories/Georgia Tech Excellence in Engineering
Research Program.
NR 67
TC 1
Z9 1
U1 13
U2 26
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 2016
VL 24
IS 1
AR 015005
DI 10.1088/0965-0393/24/1/015005
PG 19
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA DB9TS
UT WOS:000368860400005
ER
PT J
AU Ozturk, T
Stein, C
Pokharel, R
Hefferan, C
Tucker, H
Jha, S
John, R
Lebensohn, RA
Kenesei, P
Suter, RM
Rollett, AD
AF Ozturk, Tugce
Stein, Clayton
Pokharel, Reeju
Hefferan, Christopher
Tucker, Harris
Jha, Sushant
John, Reji
Lebensohn, Ricardo A.
Kenesei, Peter
Suter, Robert M.
Rollett, Anthony D.
TI Simulation domain size requirements for elastic response of 3D
polycrystalline materials
SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
LA English
DT Article
DE spectral full-field modeling; fast Fourier transform algorithm;
anisotropic elastic response; microstructures; high-energy x-ray
diffraction microscopy; representative volume element
ID REPRESENTATIVE VOLUME ELEMENT; SHORT FATIGUE-CRACK; COMPOSITES;
BOUNDARIES
AB A fast Fourier transform (FFT) based spectral algorithm is used to compute the full field mechanical response of polycrystalline microstructures. The field distributions in a specific region are used to determine the sensitivity of the method to the number of surrounding grains through quantification of the divergence of the field values from the largest simulation domain, as successively smaller surrounding volumes are included in the simulation. The analysis considers a mapped 3D structure where the location of interest is taken to be a particular pair of surface grains that enclose a small fatigue crack, and synthetically created statistically representative microstructures to further investigate the effect of anisotropy, loading condition, loading direction, and texture. The synthetic structures are generated via DREAM3D and the measured material is a cyclically loaded, Ni-based, low solvus high refractory (LSHR) superalloy that was characterized via 3D high energy x-ray diffraction microscopy (HEDM). Point-wise comparison of distributions in the grain pairs shows that, in order to obtain a Pearson correlation coefficient larger than 99%, the domain must extend to at least the third nearest neighbor. For an elastic FFT calculation, the stress-strain distributions are not sensitive to the shape of the domain. The main result is that convergence can be specified in terms of the number of grains surrounding a region of interest.
C1 [Ozturk, Tugce; Stein, Clayton; Pokharel, Reeju; Tucker, Harris; Rollett, Anthony D.] Carnegie Mellon Univ, Dept Mat Sci & Engn, 5000 Forbes Ave, Pittsburgh, PA 15213 USA.
[Pokharel, Reeju; Lebensohn, Ricardo A.] Los Alamos Natl Lab, Div Mat Sci & Technol, POB 1663, Los Alamos, NM 87544 USA.
[Hefferan, Christopher; Suter, Robert M.] Carnegie Mellon Univ, Dept Phys, 5000 Forbes Ave, Pittsburgh, PA 15213 USA.
[Hefferan, Christopher] RJ Lee Grp, 350 Hochberg Rd, Monroeville, PA 15146 USA.
[Jha, Sushant] Universal Technol Corp, Dayton, OH 45432 USA.
[John, Reji] Mat & Mfg Directorate, Air Force Res Lab, Wright Patterson AFB, OH 45433 USA.
[Kenesei, Peter] Argonne Natl Lab, Adv Photon Source, 9700 South Cass Ave, Lemont, IL 60439 USA.
RP Ozturk, T (reprint author), Carnegie Mellon Univ, Dept Mat Sci & Engn, 5000 Forbes Ave, Pittsburgh, PA 15213 USA.
EM tozturk@andrew.cmu.edu
RI Lebensohn, Ricardo/A-2494-2008; Ozturk, Tugce/E-9317-2016; Rollett,
Anthony/A-4096-2012; Suter, Robert/P-2541-2014
OI Lebensohn, Ricardo/0000-0002-3152-9105; Ozturk,
Tugce/0000-0001-5040-5821; Rollett, Anthony/0000-0003-4445-2191; Suter,
Robert/0000-0002-0651-0437
FU AFOSR Discovery Challenge Thrust grant [FA9550-10-1-0213]; National
Science Foundation through TeraGrid [DMR080072]; US Department of
Energy, Office of Science, Office of Basic Energy Sciences
[DE-AC02-06CH11357]
FX Partial support by AFOSR Discovery Challenge Thrust grant
#FA9550-10-1-0213 is acknowledged. The research was also supported in
part by the National Science Foundation through TeraGrid resources
provided by Texas Advanced Computing Center under grant number
DMR080072. 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. The authors are grateful
to Dr Jonathan Lind for his contribution in collecting and analyzing the
HEDM data, and also his algorithms for segmentation of diffractograms,
which greatly facilitated the reconstruction. The authors are grateful
to Dr S L Semiatin for heat treating the LSHR specimens to produce the
coarse microstructure and Mr W John Porter (University of Dayton
Research Institute) for microstructural characterization.
NR 26
TC 1
Z9 1
U1 4
U2 12
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 2016
VL 24
IS 1
AR 015006
DI 10.1088/0965-0393/24/1/015006
PG 13
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA DB9TS
UT WOS:000368860400006
ER
PT J
AU Jeong, S
Lee, J
Kim, HC
Hwang, JY
Ku, BC
Zakharov, DN
Maruyama, B
Stach, EA
Kim, SM
AF Jeong, Seojeong
Lee, Jaegeun
Kim, Hwan-Chul
Hwang, Jun Yeon
Ku, Bon-Cheol
Zakharov, Dmitri N.
Maruyama, Benji
Stach, Eric A.
Kim, Seung Min
TI Direct observation of morphological evolution of a catalyst during
carbon nanotube forest growth: new insights into growth and growth
termination
SO NANOSCALE
LA English
DT Article
ID IN-SITU OBSERVATIONS; WATER; CONDUCTIVITY; MECHANISM; ARRAYS; SCALE;
STRENGTH; KINETICS
AB In this study, we develop a new methodology for transmission electron microscopy (TEM) analysis that enables us to directly investigate the interface between carbon nanotube (CNT) arrays and the catalyst and support layers for CNT forest growth without any damage induced by a post-growth TEM sample preparation. Using this methodology, we perform in situ and ex situ TEM investigations on the evolution of the morphology of the catalyst particles and observe the catalyst particles to climb up through CNT arrays during CNT forest growth. We speculate that the lifted catalysts significantly affect the growth and growth termination of CNT forests along with Ostwald ripening and sub-surface diffusion. Thus, we propose a modified growth termination model which better explains various phenomena related to the growth and growth termination of CNT forests.
C1 [Jeong, Seojeong; Lee, Jaegeun; Hwang, Jun Yeon; Ku, Bon-Cheol; Kim, Seung Min] Korea Inst Sci & Technol, Inst Adv Composite Mat, Jeonbuk 565905, South Korea.
[Jeong, Seojeong; Kim, Hwan-Chul] Chonbuk Natl Univ, Dept Organ Mat & Fiber Engn, Jeonju 561756, South Korea.
[Zakharov, Dmitri N.; Stach, Eric A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11733 USA.
[Maruyama, Benji] US Air Force, Res Lab, Mat & Mfg Directorate, Wright Patterson AFB, OH 45433 USA.
RP Kim, SM (reprint author), Korea Inst Sci & Technol, Inst Adv Composite Mat, Jeonbuk 565905, South Korea.
EM seungmin.kim@kist.re.kr
RI Zakharov, Dmitri/F-4493-2014; Stach, Eric/D-8545-2011
OI Stach, Eric/0000-0002-3366-2153
FU Korea Institute of Science and Technology (KIST); Asian Office of
Aerospace Research and Development (AOARD) [FA2386-14-1-4047];
Industrial Fundamental Technology Development Program - Ministry of
Trade, Industry & Energy (MOTIE) of Korea [10052838]; U.S. Department of
Energy, Office of Basic Energy Sciences [DE-SC0012704]
FX This work is financially supported by the grants from the Korea
Institute of Science and Technology (KIST) institutional program and the
Asian Office of Aerospace Research and Development (AOARD) project
(Project No. FA2386-14-1-4047). This work is also supported by the
Industrial Fundamental Technology Development Program (10052838,
Development of the direct spinning process for continuous carbon
nanotube fiber) funded by the Ministry of Trade, Industry & Energy
(MOTIE) of Korea. Environmental TEM studies were carried out in part at
the Center for Functional Nanomaterials, Brookhaven National Laboratory,
which is supported by the U.S. Department of Energy, Office of Basic
Energy Sciences, under Contract No. DE-SC0012704. We also thank Eomji
Lee for graphical assistance.
NR 42
TC 2
Z9 2
U1 5
U2 28
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 2016
VL 8
IS 4
BP 2055
EP 2062
DI 10.1039/c5nr05547d
PG 8
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DB9TX
UT WOS:000368860900035
PM 26700058
ER
PT J
AU Lewis, CS
Liu, HQ
Han, JY
Wang, L
Yue, SY
Brennan, NA
Wong, SS
AF Lewis, Crystal S.
Liu, Haiqing
Han, Jinkyu
Wang, Lei
Yue, Shiyu
Brennan, Nicholas A.
Wong, Stanislaus S.
TI Probing charge transfer in a novel class of luminescent perovskite-based
heterostructures composed of quantum dots bound to RE-activated CaTiO3
phosphors
SO NANOSCALE
LA English
DT Article
ID LOW-TEMPERATURE SYNTHESIS; PHOTOLUMINESCENCE PROPERTIES;
OPTICAL-PROPERTIES; CDSE NANOCRYSTALS; EU; NANOPARTICLES; NANOWIRES;
SRTIO3; PR; PERFORMANCE
AB We report on the synthesis and structural characterization of novel semiconducting heterostructures composed of cadmium selenide (CdSe) quantum dots (QDs) attached onto the surfaces of novel high-surface area, porous rare-earth-ion doped alkaline earth titanate micron-scale spherical motifs, i.e. both Eu-doped and Pr-doped CaTiO3, composed of constituent, component nanoparticles. These unique metal oxide perovskite building blocks were created by a multi-pronged synthetic strategy involving molten salt and hydrothermal protocols. Subsequently, optical characterization of these heterostructures indicated a clear behavioral dependence of charge transfer in these systems upon a number of parameters such as the nature of the dopant, the reaction temperature, and particle size. Specifically, 2.7 nm diameter ligand-functionalized CdSe QDs were anchored onto sub-micron sized CaTiO3-based spherical assemblies, prepared by molten salt protocols. We found that both the Pr -and Eu-doped CaTiO3 displayed pronounced PL emissions, with maximum intensities observed using optimized lanthanide concentrations of 0.2 mol% and 6 mol%, respectively. Analogous experiments were performed on Eu-doped BaTiO3 and SrTiO3 motifs, but CaTiO3 still performed as the most effective host material amongst the three perovskite systems tested. Moreover, the ligand-capped CdSe QD-doped CaTiO3 heterostructures exhibited effective charge transfer between the two individual constituent nanoscale components, an assertion corroborated by the corresponding quenching of their measured PL signals.
C1 [Lewis, Crystal S.; Liu, Haiqing; Wang, Lei; Yue, Shiyu; Brennan, Nicholas A.; Wong, Stanislaus S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
[Han, Jinkyu; Wong, Stanislaus S.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Bldg 480, Upton, NY 11973 USA.
RP Wong, SS (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
EM Stanislaus.wong@stonybrook.edu
FU U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and
Engineering Division; U.S. Department of Energy [DE-AC02-98CH10886,
DE-SC-00112704]
FX Research for all authors was supported by the U.S. Department of Energy,
Basic Energy Sciences, Materials Sciences and Engineering Division.
Experiments for this manuscript were performed in part at the Center for
Functional Nanomaterials located at Brookhaven National Laboratory,
which is supported by the U.S. Department of Energy under Contract no.
DE-AC02-98CH10886 and DE-SC-00112704. Additionally, NAB was a U.S.
National Science Foundation REU summer student, working in the
Department of Chemistry at SUNY Stony Brook.
NR 51
TC 3
Z9 3
U1 33
U2 84
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 2016
VL 8
IS 4
BP 2129
EP 2142
DI 10.1039/c5nr06697b
PG 14
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DB9TX
UT WOS:000368860900044
PM 26725486
ER
PT J
AU Gobeljic, D
Shvartsman, VV
Belianinov, A
Okatan, B
Jesse, S
Kalinin, SV
Groh, C
Rodel, J
Lupascu, DC
AF Gobeljic, D.
Shvartsman, V. V.
Belianinov, A.
Okatan, B.
Jesse, S.
Kalinin, S. V.
Groh, C.
Roedel, J.
Lupascu, D. C.
TI Nanoscale mapping of heterogeneity of the polarization reversal in
lead-free relaxor-ferroelectric ceramic composites
SO NANOSCALE
LA English
DT Article
ID PIEZORESPONSE FORCE MICROSCOPY; FREE PIEZOCERAMICS; DOMAINS; STRAIN
AB Relaxor/ferroelectric ceramic/ceramic composites have shown to be promising in generating large electromechanical strain at moderate electric fields. Nonetheless, the mechanisms of polarization and strain coupling between grains of different nature in the composites remain unclear. To rationalize the coupling mechanisms we performed advanced piezoresponse force microscopy (PFM) studies of 0.92BNT-0.06BT-0.02KNN/0.93BNT-0.07BT (ergodic/non-ergodic relaxor) composites. PFM is able to distinguish grains of different phases by characteristic domain patterns. Polarization switching has been probed locally, on a sub-grain scale. k-Means clustering analysis applied to arrays of local hysteresis loops reveals variations of polarization switching characteristics between the ergodic and non-ergodic relaxor grains. We report a different set of switching parameters for grains in the composites as opposed to the pure phase samples. Our results confirm ceramic/ceramic composites to be a viable approach to tailor the piezoelectric properties and optimize the macroscopic electromechanical characteristics.
C1 [Gobeljic, D.; Shvartsman, V. V.; Lupascu, D. C.] Univ Duisburg Essen, Inst Mat Sci, D-45141 Essen, Germany.
[Gobeljic, D.; Shvartsman, V. V.; Lupascu, D. C.] Univ Duisburg Essen, Ctr Nanointegrat Duisburg Essen CENIDE, D-45141 Essen, Germany.
[Belianinov, A.; Okatan, B.; Jesse, S.; Kalinin, S. V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37830 USA.
[Groh, C.; Roedel, J.] Tech Univ Darmstadt, Inst Mat Sci, Petersenstr 30, D-64287 Darmstadt, Germany.
RP Shvartsman, VV (reprint author), Univ Duisburg Essen, Inst Mat Sci, D-45141 Essen, Germany.
EM vladimir.shvartsman@uni-due.de
RI Jesse, Stephen/D-3975-2016; Okatan, M. Baris/E-1913-2016; Shvartsman,
Vladimir/J-4210-2014;
OI Jesse, Stephen/0000-0002-1168-8483; Okatan, M.
Baris/0000-0002-9421-7846; Shvartsman, Vladimir/0000-0002-7155-2473;
Lupascu, Doru C/0000-0002-6895-1334
FU European Commission within FP7 Marie Curie Initial Training Network
"Nanomotion" [290158]; Scientific User Facilities Division
[CNMS2013-250]; Leibniz program of the Deutsche Forschungsgemeinschaft
[Ro 954/22]
FX This work has been supported by the European Commission within FP7 Marie
Curie Initial Training Network "Nanomotion" (grant agreement no.
290158). The research was conducted at the Center for Nanophase
Materials Sciences, which is sponsored at Oak Ridge National Laboratory
by the Scientific User Facilities Division, Proposal Number:
CNMS2013-250. DG acknowledges the experimental support of Dr Evgeni
Strelcov. CG was supported by the Leibniz program of the Deutsche
Forschungsgemeinschaft under Ro 954/22.
NR 36
TC 5
Z9 5
U1 21
U2 61
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 2016
VL 8
IS 4
BP 2168
EP 2176
DI 10.1039/c5nr05032d
PG 9
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DB9TX
UT WOS:000368860900048
PM 26731664
ER
PT J
AU Ardiccioni, C
Clarke, OB
Tomasek, D
Issa, HA
von Alpen, DC
Pond, HL
Banerjee, S
Rajashankar, KR
Liu, Q
Guan, ZQ
Li, CJ
Kloss, B
Bruni, R
Kloppmann, E
Rost, B
Manzini, MC
Shapiro, L
Mancia, F
AF Ardiccioni, Chiara
Clarke, Oliver B.
Tomasek, David
Issa, Habon A.
von Alpen, Desiree C.
Pond, Heather L.
Banerjee, Surajit
Rajashankar, Kanagalaghatta R.
Liu, Qun
Guan, Ziqiang
Li, Chijun
Kloss, Brian
Bruni, Renato
Kloppmann, Edda
Rost, Burkhard
Manzini, M. Chiara
Shapiro, Lawrence
Mancia, Filippo
TI Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB and
insights into the mechanism of catalysis
SO NATURE COMMUNICATIONS
LA English
DT Article
ID CONGENITAL DISORDER; SHIGELLA-FLEXNERI; MANNOSE SYNTHASE;
MEMBRANE-PROTEINS; GLYCOSYLATION; DOLICHOL; PURIFICATION; STATE; IE;
SEQUENCE
AB The attachment of a sugar to a hydrophobic polyisoprenyl carrier is the first step for all extracellular glycosylation processes. The enzymes that perform these reactions, polyisoprenyl-glycosyltransferases (PI-GTs) include dolichol phosphate mannose synthase (DPMS), which generates the mannose donor for glycosylation in the endoplasmic reticulum. Here we report the 3.0 angstrom resolution crystal structure of GtrB, a glucose-specific PI-GT from Synechocystis, showing a tetramer in which each protomer contributes two helices to a membrane-spanning bundle. The active site is 15 angstrom from the membrane, raising the question of how water-soluble and membrane-embedded substrates are brought into apposition for catalysis. A conserved juxtamembrane domain harbours disease mutations, which compromised activity in GtrB in vitro and in human DPM1 tested in zebrafish. We hypothesize a role of this domain in shielding the polyisoprenyl-phosphate for transport to the active site. Our results reveal the basis of PI-GT function, and provide a potential molecular explanation for DPM1-related disease.
C1 [Ardiccioni, Chiara; Tomasek, David; Mancia, Filippo] Columbia Univ, Dept Physiol & Cellular Biophys, New York, NY 10032 USA.
[Clarke, Oliver B.; Shapiro, Lawrence] Columbia Univ, Dept Biochem & Mol Biophys, 630 W 168th St, New York, NY 10032 USA.
[Issa, Habon A.; von Alpen, Desiree C.; Pond, Heather L.; Manzini, M. Chiara] George Washington Univ, Dept Physiol & Pharmacol, Washington, DC 20037 USA.
[Issa, Habon A.; von Alpen, Desiree C.; Pond, Heather L.; Manzini, M. Chiara] George Washington Univ, Dept Integrat Syst Biol, Washington, DC 20037 USA.
[Banerjee, Surajit; Rajashankar, Kanagalaghatta R.] Cornell Univ, Argonne Natl Lab, NE CAT, Argonne, IL 60439 USA.
[Banerjee, Surajit; Rajashankar, Kanagalaghatta R.] Cornell Univ, Argonne Natl Lab, Dept Chem & Chem Biol, Argonne, IL 60439 USA.
[Liu, Qun] Brookhaven Natl Lab, New York Struct Biol Ctr, Beamlines X4, Upton, NY 11973 USA.
[Guan, Ziqiang; Li, Chijun] Duke Univ, Med Ctr, Dept Biochem, Durham, NC 27710 USA.
[Kloss, Brian; Bruni, Renato] New York Struct Biol Ctr, New York Consortium Membrane Prot Struct, New York, NY 10027 USA.
[Kloppmann, Edda; Rost, Burkhard] Dept Informat Bioinformat & Computat Biol, D-85748 Garching, Germany.
[Kloppmann, Edda; Rost, Burkhard] TUM, Inst Adv Study TUM IAS, D-85748 Garching, Germany.
RP Mancia, F (reprint author), Columbia Univ, Dept Physiol & Cellular Biophys, New York, NY 10032 USA.
EM fm123@cumc.columbia.edu
OI Banerjee, Surajit/0000-0002-9414-7163; Manzini, M.
Chiara/0000-0001-7175-1096
FU NIH-NIGMS [P41 GM103403, R01 GM111980]; NIH-NIGMS initiative [U54
GM095315]; Muscular Dystrophy Association; March of Dimes; Fondazione
Marche/ISSNAF Post-Doctoral Fellowship; Charles H. Revson Senior
fellowship
FX Crystallographic data for this study were measured at beamlines X4A and
X4C, of the National Synchrotron Light Source and the NE-CAT beamlines
24ID-C and E (supported by NIH-NIGMS grant P41 GM103403) at the Advanced
Photon Source. This work was supported by an NIH-NIGMS initiative to the
New York Consortium on Membrane Protein Structure (NYCOMPS; U54
GM095315) and by NIH-NIGMS grant R01 GM111980 to F.M., and Research
Grants from the Muscular Dystrophy Association and the March of Dimes to
M.C.M., C.A. was supported by a Fondazione Marche/ISSNAF Post-Doctoral
Fellowship. O.B.C. was supported by a Charles H. Revson Senior
fellowship. We thank Wayne A. Hendrickson for his leadership of NYCOMPS
and both he and Alexander Sobolevsky for useful comments and
suggestions, Naresh Verma for helpful advice, Leora Hamberger for her
assistance running the Mancia Lab, and Adriana Nemes, Richard Axel and
the Axel laboratory for generously providing help with functional
experiments.
NR 48
TC 3
Z9 3
U1 4
U2 16
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10175
DI 10.1038/ncomms10175
PG 9
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2AM
UT WOS:000369019600002
PM 26729507
ER
PT J
AU Ben-Shahar, Y
Scotognella, F
Kriegel, I
Moretti, L
Cerullo, G
Rabani, E
Banin, U
AF Ben-Shahar, Yuval
Scotognella, Francesco
Kriegel, Ilka
Moretti, Luca
Cerullo, Giulio
Rabani, Eran
Banin, Uri
TI Optimal metal domain size for photocatalysis with hybrid
semiconductor-metal nanorods
SO NATURE COMMUNICATIONS
LA English
DT Article
ID HYDROGEN EVOLUTION REACTION; FERMI-LEVEL EQUILIBRATION; GOLD
NANOPARTICLES; CATALYTIC-ACTIVITY; ELECTRON-TRANSFER; RECENT PROGRESS;
PARTICLE-SIZE; QUANTUM RODS; CDS-PT; NANOCRYSTALS
AB Semiconductor-metal hybrid nanostructures offer a highly controllable platform for light-induced charge separation, with direct relevance for their implementation in photocatalysis. Advances in the synthesis allow for control over the size, shape and morphology, providing tunability of the optical and electronic properties. A critical determining factor of the photocatalytic cycle is the metal domain characteristics and in particular its size, a subject that lacks deep understanding. Here, using a well-defined model system of cadmium sulfide-gold nanorods, we address the effect of the gold tip size on the photocatalytic function, including the charge transfer dynamics and hydrogen production efficiency. A combination of transient absorption, hydrogen evolution kinetics and theoretical modelling reveal a non-monotonic behaviour with size of the gold tip, leading to an optimal metal domain size for the most efficient photocatalysis. We show that this results from the size-dependent interplay of the metal domain charging, the relative band-alignments, and the resulting kinetics.
C1 [Ben-Shahar, Yuval; Banin, Uri] Hebrew Univ Jerusalem, Inst Chem, Edmond Safra Campus Givat Ram, IL-91904 Jerusalem, Israel.
[Ben-Shahar, Yuval; Banin, Uri] Hebrew Univ Jerusalem, Ctr Nanosci & Nanotechnol, Edmond Safra Campus Givat Ram, IL-91904 Jerusalem, Israel.
[Scotognella, Francesco; Kriegel, Ilka; Moretti, Luca; Cerullo, Giulio] Politecn Milan, CNR, IFN, Dipartimento Fis, I-20133 Milan, Italy.
[Rabani, Eran] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Rabani, Eran] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Rabani, Eran] Tel Aviv Univ, Sackler Inst Computat Mol & Mat Sci, IL-69978 Tel Aviv, Israel.
RP Banin, U (reprint author), Hebrew Univ Jerusalem, Inst Chem, Edmond Safra Campus Givat Ram, IL-91904 Jerusalem, Israel.; Banin, U (reprint author), Hebrew Univ Jerusalem, Ctr Nanosci & Nanotechnol, Edmond Safra Campus Givat Ram, IL-91904 Jerusalem, Israel.; Cerullo, G (reprint author), Politecn Milan, CNR, IFN, Dipartimento Fis, I-20133 Milan, Italy.; Rabani, E (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Rabani, E (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.; Rabani, E (reprint author), Tel Aviv Univ, Sackler Inst Computat Mol & Mat Sci, IL-69978 Tel Aviv, Israel.
EM Giulio.Cerullo@polimi.it; Eran.Rabani@Berkeley.edu;
Uri.Banin@mail.huji.ac.il
OI Banin, Uri/0000-0003-1698-2128
FU Israel Science Foundation [1560/13]; Ministry of Science, Technology and
Space, Israel; Directorate General for Political and Security Affairs of
the Ministry of Foreign Affairs, Italy; EC under Graphene Flagship
[CNECT-ICT-604391]; Camber Scholarship
FX We thank Dr Vitaly Gutkin from the Unit for Nanocharacterization at the
Hebrew University for assistance in the X-ray photoelectron spectroscopy
measurements. The research leading to these results has received funding
from The Israel Science Foundation (grant no. 1560/13) and the Ministry
of Science, Technology and Space, Israel & the Directorate General for
Political and Security Affairs of the Ministry of Foreign Affairs,
Italy. U.B. thanks the Alfred & Erica Larisch memorial chair. G.C.
acknowledges support by the EC under Graphene Flagship (contract no.
CNECT-ICT-604391). Y.B.S. acknowledges support by the Ministry of
Science, Technology and Space, Israel & the Camber Scholarship.
NR 40
TC 21
Z9 21
U1 52
U2 139
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10413
DI 10.1038/ncomms10413
PG 7
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2BP
UT WOS:000369022500004
PM 26783194
ER
PT J
AU Cao, YW
Liu, XR
Kareev, M
Choudhury, D
Middey, S
Meyers, D
Kim, JW
Ryan, PJ
Freeland, JW
Chakhalian, J
AF Cao, Yanwei
Liu, Xiaoran
Kareev, M.
Choudhury, D.
Middey, S.
Meyers, D.
Kim, J. -W.
Ryan, P. J.
Freeland, J. W.
Chakhalian, J.
TI Engineered Mott ground state in a LaTiO3+delta/LaNiO3 heterostructure
SO NATURE COMMUNICATIONS
LA English
DT Article
ID TRANSITION-METAL OXIDES; ORBITAL PHYSICS; INTERFACES; SPECTRA;
ELECTRONICS; EDGES; FILMS; TI
AB In pursuit of creating cuprate-like electronic and orbital structures, artificial heterostructures based on LaNiO3 have inspired a wealth of exciting experimental and theoretical results. However, to date there is a very limited experimental understanding of the electronic and orbital states emerging from interfacial charge transfer and their connections to the modified band structure at the interface. Towards this goal, we have synthesized a prototypical superlattice composed of a correlated metal LaNiO3 and a doped Mott insulator LaTiO3+delta, and investigated its electronic structure by resonant X-ray absorption spectroscopy combined with X-ray photoemission spectroscopy, electrical transport and theory calculations. The heterostructure exhibits interfacial charge transfer from Ti to Ni sites, giving rise to an insulating ground state with orbital polarization and e(g) orbital band splitting. Our findings demonstrate how the control over charge at the interface can be effectively used to create exotic electronic, orbital and spin states.
C1 [Cao, Yanwei; Liu, Xiaoran; Kareev, M.; Choudhury, D.; Middey, S.; Meyers, D.; Chakhalian, J.] Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA.
[Choudhury, D.] Indian Inst Technol, Dept Phys, Kharagpur 721302, W Bengal, India.
[Kim, J. -W.; Ryan, P. J.; Freeland, J. W.] Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Cao, YW (reprint author), Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA.
EM yc003@uark.edu
RI Chakhalian, Jak/F-2274-2015; Middey, Srimanta/D-9580-2013; Choudhury,
Debraj/B-3615-2013
OI Middey, Srimanta/0000-0001-5893-0946;
FU Department of Energy [DE-SC0012375]; Gordon and Betty Moore Foundation
EPiQS Initiative [GBMF4534]; DOD-ARO [0402-17291]; DOE Office of Science
by Argonne National Laboratory [DE-AC02-06CH11357]
FX We acknowledge numerous fruitful discussions with Andrew Millis and
Hanghui Chen. J.C. and X.L. were supported by the Department of Energy
grant DE-SC0012375 for synchrotron work at the Advanced Photon Source
and material synthesis. D.M. was primarily supported by the Gordon and
Betty Moore Foundation EPiQS Initiative through grant number GBMF4534.
Y.C. and S.M. were supported by the DOD-ARO under grant number
0402-17291. 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 number DE-AC02-06CH11357.
NR 61
TC 10
Z9 10
U1 18
U2 43
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10418
DI 10.1038/ncomms10418
PG 7
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2BQ
UT WOS:000369022600001
PM 26791402
ER
PT J
AU Chen, K
Kapadia, R
Harker, A
Desai, S
Kang, JS
Chuang, S
Tosun, M
Sutter-Fella, CM
Tsang, M
Zeng, YP
Kiriya, D
Hazra, J
Madhvapathy, SR
Hettick, M
Chen, YZ
Mastandrea, J
Amani, M
Cabrini, S
Chueh, YL
Ager, JW
Chrzan, DC
Javey, A
AF Chen, Kevin
Kapadia, Rehan
Harker, Audrey
Desai, Sujay
Kang, Jeong Seuk
Chuang, Steven
Tosun, Mahmut
Sutter-Fella, Carolin M.
Tsang, Michael
Zeng, Yuping
Kiriya, Daisuke
Hazra, Jubin
Madhvapathy, Surabhi Rao
Hettick, Mark
Chen, Yu-Ze
Mastandrea, James
Amani, Matin
Cabrini, Stefano
Chueh, Yu-Lun
Ager, Joel W., III
Chrzan, Daryl C.
Javey, Ali
TI Direct growth of single-crystalline III-V semiconductors on amorphous
substrates
SO NATURE COMMUNICATIONS
LA English
DT Article
ID LIGHT-EMITTING-DIODES; BAND-TAIL PARAMETER; INTEGRATED-CIRCUITS;
INDIUM-PHOSPHIDE; INP; NANOWIRES; GAAS; PHOTOVOLTAICS; TRANSISTORS;
DEVICES
AB The III-V compound semiconductors exhibit superb electronic and optoelectronic properties. Traditionally, closely lattice-matched epitaxial substrates have been required for the growth of high-quality single-crystal III-V thin films and patterned microstructures. To remove this materials constraint, here we introduce a growth mode that enables direct writing of single-crystalline III-V's on amorphous substrates, thus further expanding their utility for various applications. The process utilizes templated liquid-phase crystal growth that results in user-tunable, patterned micro and nanostructures of single-crystalline III-V's of up to tens of micrometres in lateral dimensions. InP is chosen as a model material system owing to its technological importance. The patterned InP single crystals are configured as high-performance transistors and photodetectors directly on amorphous SiO2 growth substrates, with performance matching state-of-the-art epitaxially grown devices. The work presents an important advance towards universal integration of III-V's on application-specific substrates by direct growth.
C1 [Chen, Kevin; Kapadia, Rehan; Desai, Sujay; Kang, Jeong Seuk; Chuang, Steven; Tosun, Mahmut; Sutter-Fella, Carolin M.; Tsang, Michael; Zeng, Yuping; Kiriya, Daisuke; Madhvapathy, Surabhi Rao; Hettick, Mark; Amani, Matin; Javey, Ali] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA.
[Chen, Kevin; Kapadia, Rehan; Harker, Audrey; Desai, Sujay; Kang, Jeong Seuk; Chuang, Steven; Tosun, Mahmut; Sutter-Fella, Carolin M.; Tsang, Michael; Zeng, Yuping; Kiriya, Daisuke; Madhvapathy, Surabhi Rao; Hettick, Mark; Mastandrea, James; Amani, Matin; Ager, Joel W., III; Chrzan, Daryl C.; Javey, Ali] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Harker, Audrey] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA.
[Hazra, Jubin] Univ So Calif, Dept Elect Engn, Los Angeles, CA 90089 USA.
[Chen, Yu-Ze; Chueh, Yu-Lun] Natl Tsing Hua Univ, Dept Mat Sci & Engn, Hsinchu 30013, Taiwan.
[Mastandrea, James; Chrzan, Daryl C.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Cabrini, Stefano] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
RP Javey, A (reprint author), Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA.; Javey, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
EM ajavey@berkeley.edu
RI Chueh, Yu-Lun/E-2053-2013;
OI Chueh, Yu-Lun/0000-0002-0155-9987; Sutter-Fella,
Carolin/0000-0002-7769-0869
FU Electronic Materials Program - Office of Science, Office of Basic Energy
Sciences, Material Sciences and Engineering Division of the U.S.
Department of Energy [DE-AC02-05CH11231]; Molecular Foundry
[DE-AC02-05CH11231]
FX This work was supported by the Electronic Materials Program, funded by
the Director, Office of Science, Office of Basic Energy Sciences,
Material Sciences and Engineering Division of the U.S. Department of
Energy under Contract No. DE-AC02-05CH11231. X-ray diffraction and
cross-sectional SEM imaging were performed at The Molecular Foundry
under Contract No. DE-AC02-05CH11231. We thank J. Bullock, D.-H. Lien,
H. Ota and M. Zheng for their help.
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PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10502
DI 10.1038/ncomms10502
PG 6
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2CH
UT WOS:000369024300001
PM 26813257
ER
PT J
AU Cho, KR
Kim, YY
Yang, PC
Cai, W
Pan, HH
Kulak, AN
Lau, JL
Kulshreshtha, P
Armes, SP
Meldrum, FC
De Yoreo, JJ
AF Cho, Kang Rae
Kim, Yi-Yeoun
Yang, Pengcheng
Cai, Wei
Pan, Haihua
Kulak, Alexander N.
Lau, Jolene L.
Kulshreshtha, Prashant
Armes, Steven P.
Meldrum, Fiona C.
De Yoreo, James J.
TI Direct observation of mineral-organic composite formation reveals
occlusion mechanism
SO NATURE COMMUNICATIONS
LA English
DT Article
ID CALCITE SINGLE-CRYSTALS; GROWTH; NANOPARTICLES; HYDROGELS; PROTEINS;
KINETICS; PARTICLE; DESIGN
AB Manipulation of inorganic materials with organic macromolecules enables organisms to create biominerals such as bones and seashells, where occlusion of biomacromolecules within individual crystals generates superior mechanical properties. Current understanding of this process largely comes from studying the entrapment of micron-size particles in cooling melts. Here, by investigating micelle incorporation in calcite with atomic force microscopy and micromechanical simulations, we show that different mechanisms govern nanoscale occlusion. By simultaneously visualizing the micelles and propagating step edges, we demonstrate that the micelles experience significant compression during occlusion, which is accompanied by cavity formation. This generates local lattice strain, leading to enhanced mechanical properties. These results give new insight into the formation of occlusions in natural and synthetic crystals, and will facilitate the synthesis of multifunctional nanocomposite crystals.
C1 [Cho, Kang Rae; Pan, Haihua; Lau, Jolene L.; Kulshreshtha, Prashant; De Yoreo, James J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Cho, Kang Rae] Lawrence Livermore Natl Lab, Biosci & Biotechnol Div, Phys & Life Sci Directorate, Livermore, CA 94550 USA.
[Kim, Yi-Yeoun; Kulak, Alexander N.; Meldrum, Fiona C.] Univ Leeds, Sch Chem, Leeds LS2 9JT, W Yorkshire, England.
[Yang, Pengcheng; Armes, Steven P.] Univ Sheffield, Dept Chem, Brook Hill, Sheffield S3 7HF, S Yorkshire, England.
[Cai, Wei] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA.
[Pan, Haihua] Zhejiang Univ, Dept Chem, Hangzhou 310027, Zhejiang, Peoples R China.
[De Yoreo, James J.] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
RP Cho, KR; De Yoreo, JJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.; Cho, KR (reprint author), Lawrence Livermore Natl Lab, Biosci & Biotechnol Div, Phys & Life Sci Directorate, Livermore, CA 94550 USA.; Meldrum, FC (reprint author), Univ Leeds, Sch Chem, Leeds LS2 9JT, W Yorkshire, England.; De Yoreo, JJ (reprint author), Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
EM kangraecho@lbl.gov; F.Meldrum@leeds.ac.uk; james.deyoreo@pnnl.gov
FU US Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences and Biosciences at Lawrence Berkeley
National Laboratory (LBNL) [DE-AC02-05CH11231]; Pacific Northwest
National Laboratory (PNNL) [DE-AC05-76RL01830]; National Institutes of
Health [DC011614]; Postdoctoral Program at Lawrence Livermore National
Laboratory - US Department of Energy [DE-AC52-07NA27344]; Engineering
and Physical Sciences Research Council (EPSRC) [EP/G00868X/1,
EP/K006304/1, EP/J018589/1]; EPSRC Leadership Fellowship [EP/H005374/1];
EPSRC [EP/J018589/1, EP/K006290/1]; ERC Advanced Investigator grant
[PISA 320372]
FX We thank Drs Qiaona Hu and Raymond Friddle for help with the AFM
experimental setup, Dr Debin Wang for help with the AFM analysis
software, Drs Dominik Ziegler and Paul Ashby for discussion about AFM
and Matthew Rames for help with editing the manuscript. Research on
micelle incorporation and deformation was performed under the auspices
of the US Department of Energy, Office of Basic Energy Sciences,
Division of Chemical Sciences, Geosciences and Biosciences at Lawrence
Berkeley National Laboratory (LBNL) under contract DE-AC02-05CH11231 and
the Pacific Northwest National Laboratory (PNNL), which is operated by
Battelle under Contract DE-AC05-76RL01830. Analysis of solution micelle
formation was supported by grant DC011614 from the National Institutes
of Health. AFM and DLS measurements were performed at the Molecular
Foundry, a National User Facility operated by LBNL on behalf of the US
Department of Energy, Office of Basic Energy Sciences. K.R.C.
acknowledges support from the Postdoctoral Program at Lawrence Livermore
National Laboratory, which is operated for the US Department of Energy
under Contract DE-AC52-07NA27344. We thank the Engineering and Physical
Sciences Research Council (EPSRC) for financial support via grants
EP/G00868X/1 and EP/K006304/1 (A.K. and F.C.M.) and EP/J018589/1 (Y-Y.K.
and F.C.M.). This work was also supported by an EPSRC Leadership
Fellowship (EP/H005374/1; F.C.M. and Y.Y.K.). S.P.A. acknowledges
support from EPSRC (EP/K006290/1 and EP/J018589/1) and also a 5-year ERC
Advanced Investigator grant (PISA 320372).
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PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10187
DI 10.1038/ncomms10187
PG 7
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2ES
UT WOS:000369030600001
ER
PT J
AU Couradeau, E
Karaoz, U
Lim, HC
da Rocha, UN
Northen, T
Brodie, E
Garcia-Pichel, F
AF Couradeau, Estelle
Karaoz, Ulas
Lim, Hsiao Chien
da Rocha, Ulisses Nunes
Northen, Trent
Brodie, Eoin
Garcia-Pichel, Ferran
TI Bacteria increase arid-land soil surface temperature through the
production of sunscreens
SO NATURE COMMUNICATIONS
LA English
DT Article
ID COLORADO PLATEAU; CLIMATE-CHANGE; DESERT CRUSTS; ALBEDO; CYANOBACTERIA;
COMMUNITIES; EXOPOLYSACCHARIDES; DESERTIFICATION; SCYTONEMIN; FEEDBACKS
AB Soil surface temperature, an important driver of terrestrial biogeochemical processes, depends strongly on soil albedo, which can be significantly modified by factors such as plant cover. In sparsely vegetated lands, the soil surface can be colonized by photosynthetic microbes that build biocrust communities. Here we use concurrent physical, biochemical and microbiological analyses to show that mature biocrusts can increase surface soil temperature by as much as 10 degrees C through the accumulation of large quantities of a secondary metabolite, the microbial sunscreen scytonemin, produced by a group of late-successional cyanobacteria. Scytonemin accumulation decreases soil albedo significantly. Such localized warming has apparent and immediate consequences for the soil microbiome, inducing the replacement of thermosensitive bacterial species with more thermotolerant forms. These results reveal that not only vegetation but also microorganisms are a factor in modifying terrestrial albedo, potentially impacting biosphere feedbacks on past and future climate, and call for a direct assessment of such effects at larger scales.
C1 [Couradeau, Estelle; Garcia-Pichel, Ferran] Arizona State Univ, Sch Life Sci, Tempe, AZ 85287 USA.
[Karaoz, Ulas; Lim, Hsiao Chien; da Rocha, Ulisses Nunes; Brodie, Eoin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth & Environm Sci, Berkeley, CA 94720 USA.
[Northen, Trent; Garcia-Pichel, Ferran] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Genom & Syst Biol, Berkeley, CA 94720 USA.
[Brodie, Eoin] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA.
[da Rocha, Ulisses Nunes] Vrij Univ, Dept Mol Cell Physiol, NL-1081 HV Amsterdam, Netherlands.
RP Couradeau, E; Garcia-Pichel, F (reprint author), Arizona State Univ, Sch Life Sci, Tempe, AZ 85287 USA.; Garcia-Pichel, F (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Genom & Syst Biol, Berkeley, CA 94720 USA.
EM ecourade@asu.edu; Ferran@asu.edu
RI Brodie, Eoin/A-7853-2008; Karaoz, Ulas/J-7093-2014;
OI Brodie, Eoin/0000-0002-8453-8435; Northen, Trent/0000-0001-8404-3259
FU Department of Energy, Office of Science; National Science Foundation
(NSF-Biodiversity Surveys and Inventories); Laboratory Directed Research
and Development Program; DOE Early Career Research Program - US
Department of Energy, Office of Science, Office of Biological and
Environmental Research [DE-AC02-05CH11231]; ASU/LBNL Co-laboratory
funds; Marie-Curie postdoctoral stipend from the European Commission
FX This work was supported by the Department of Energy, Office of Science
and by the National Science Foundation (NSF-Biodiversity Surveys and
Inventories) to F.G.-P. Work at Lawrence Berkeley National Laboratory
was supported by the Laboratory Directed Research and Development
Program, and the DOE Early Career Research Program (to T.R.N.) supported
by the US Department of Energy, Office of Science, Office of Biological
and Environmental Research, under contract number DE-AC02-05CH11231.
E.C. was supported by ASU/LBNL Co-laboratory funds, and by a Marie-Curie
postdoctoral stipend from the European Commission (to E.C.).
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PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10373
DI 10.1038/ncomms10373
PG 7
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2BL
UT WOS:000369022100010
PM 26785770
ER
PT J
AU Eloe-Fadrosh, EA
Paez-Espino, D
Jarett, J
Dunfield, PF
Hedlund, BP
Dekas, AE
Grasby, SE
Brady, AL
Dong, HL
Briggs, BR
Li, WJ
Goudeau, D
Malmstrom, R
Pati, A
Pett-Ridge, J
Rubin, EM
Woyke, T
Kyrpides, NC
Ivanova, NN
AF Eloe-Fadrosh, Emiley A.
Paez-Espino, David
Jarett, Jessica
Dunfield, Peter F.
Hedlund, Brian P.
Dekas, Anne E.
Grasby, Stephen E.
Brady, Allyson L.
Dong, Hailiang
Briggs, Brandon R.
Li, Wen-Jun
Goudeau, Danielle
Malmstrom, Rex
Pati, Amrita
Pett-Ridge, Jennifer
Rubin, Edward M.
Woyke, Tanja
Kyrpides, Nikos C.
Ivanova, Natalia N.
TI Global metagenomic survey reveals a new bacterial candidate phylum in
geothermal springs
SO NATURE COMMUNICATIONS
LA English
DT Article
ID CRISPR-CAS SYSTEMS; MULTIPLE SEQUENCE ALIGNMENT; MIXED MODELS;
GREAT-BASIN; HOT-SPRINGS; GENOME; DIVERSITY; EVOLUTION; ARCHAEA; DOMAIN
AB Analysis of the increasing wealth of metagenomic data collected from diverse environments can lead to the discovery of novel branches on the tree of life. Here we analyse 5.2 Tb of metagenomic data collected globally to discover a novel bacterial phylum ('Candidatus Kryptonia') found exclusively in high-temperature pH-neutral geothermal springs. This lineage had remained hidden as a taxonomic 'blind spot' because of mismatches in the primers commonly used for ribosomal gene surveys. Genome reconstruction from metagenomic data combined with single-cell genomics results in several high-quality genomes representing four genera from the new phylum. Metabolic reconstruction indicates a heterotrophic lifestyle with conspicuous nutritional deficiencies, suggesting the need for metabolic complementarity with other microbes. Co-occurrence patterns identifies a number of putative partners, including an uncultured Armatimonadetes lineage. The discovery of Kryptonia within previously studied geothermal springs underscores the importance of globally sampled metagenomic data in detection of microbial novelty, and highlights the extraordinary diversity of microbial life still awaiting discovery.
C1 [Eloe-Fadrosh, Emiley A.; Paez-Espino, David; Jarett, Jessica; Goudeau, Danielle; Malmstrom, Rex; Pati, Amrita; Rubin, Edward M.; Woyke, Tanja; Kyrpides, Nikos C.; Ivanova, Natalia N.] Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA.
[Dunfield, Peter F.] Univ Calgary, Dept Biol Sci, Calgary, AB T2N 1N4, Canada.
[Hedlund, Brian P.] Univ Nevada, Sch Life Sci, Las Vegas, NV 89154 USA.
[Dekas, Anne E.; Pett-Ridge, Jennifer] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Grasby, Stephen E.] Geol Survey Canada, Calgary, AB T2L 2A7, Canada.
[Brady, Allyson L.] McMaster Univ, Sch Geog & Earth Sci, Hamilton, ON L8S 4L8, Canada.
[Dong, Hailiang] Miami Univ, Dept Geol & Environm Earth Sci, Oxford, OH 45056 USA.
[Briggs, Brandon R.] Univ Alaska Anchorage, Dept Biol Sci, Anchorage, AK 99508 USA.
[Li, Wen-Jun] Sun Yat Sen Univ, Sch Life Sci, Guangzhou 510275, Guangdong, Peoples R China.
[Rubin, Edward M.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Ivanova, NN (reprint author), Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA.
EM nnivanova@lbl.gov
RI Kyrpides, Nikos/A-6305-2014;
OI Kyrpides, Nikos/0000-0002-6131-0462; Grasby,
Stephen/0000-0002-3910-4443; Ivanova, Natalia/0000-0002-5802-9485
FU DOE Office of Science User Facility [DE-AC02-05CH11231]; Office of
Science of the US Department of Energy [DE-AC02-05CH11231]; US
Department of Energy (DOE) [DE-EE-0000716]; US Department of Energy
Joint Genome Institute [CSP-182]; NASA Exobiology grant
[EXO-NNX11AR78G]; US National Science Foundation [OISE 0968421]; Key
Project of International Cooperation by the Chinese Ministry of Science
and Technology (MOST) [2013DFA31980]; Genome Canada; Genome Alberta;
Genome BC; Government of Alberta (GC) [1203]; DOE [DE-AC52-07NA27344];
Lawrence Fellowship
FX We thank the DOE JGI production sequencing, IMG and Genomes OnLine
Database teams for their support, along with Steven Quake for
metagenomic sequencing and assembly of the Jinze and Gongxiaoshe
samples. We thank BC Parks and the Ktunaxa Nation for their cooperation
on the Dewar Creek spring. This work was conducted by the US Department
of Energy Joint Genome Institute, a DOE Office of Science User Facility,
under Contract No. DE-AC02-05CH11231 and used resources of the National
Energy Research Scientific Computing Center, which is supported by the
Office of Science of the US Department of Energy under Contract No.
DE-AC02-05CH11231. This work was also supported by the US Department of
Energy (DOE) grant DE-EE-0000716; the US Department of Energy Joint
Genome Institute (CSP-182); NASA Exobiology grant EXO-NNX11AR78G; the US
National Science Foundation grant OISE 0968421; Key Project of
International Cooperation by the Chinese Ministry of Science and
Technology (MOST, 2013DFA31980); B.P.H. acknowledges generous support
from Greg Fullmer through the UNLV Foundation. Metagenome analysis of
Dewar Creek was supported in part by funding from Genome Canada, Genome
Alberta, Genome BC and the Government of Alberta (GC Grant 1203). Work
at LLNL was conducted under the auspices of DOE Contract
DE-AC52-07NA27344 and supported by a Lawrence Fellowship to A.E.D.
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PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10476
DI 10.1038/ncomms10476
PG 10
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2AJ
UT WOS:000369019300004
PM 26814032
ER
PT J
AU Liu, YH
Konik, RM
Rice, TM
Zhang, FC
AF Liu, Ye-Hua
Konik, Robert M.
Rice, T. M.
Zhang, Fu-Chun
TI Giant phonon anomaly associated with superconducting fluctuations in the
pseudogap phase of cuprates
SO NATURE COMMUNICATIONS
LA English
DT Article
ID HUBBARD-MODEL; YBA2CU4O8; ORDER; ONSET; STATE
AB The pseudogap in underdoped cuprates leads to significant changes in the electronic structure, and was later found to be accompanied by anomalous fluctuations of superconductivity and certain lattice phonons. Here we propose that the Fermi surface breakup due to the pseudogap, leads to a breakup of the pairing order into two weakly coupled sub-band amplitudes, and a concomitant low energy Leggett mode due to phase fluctuations between them. This increases the temperature range of superconducting fluctuations containing an overdamped Leggett mode. In this range inter-sub-band phonons show strong damping due to resonant scattering into an intermediate state with a pair of overdamped Leggett modes. In the ordered state, the Leggett mode develops a finite energy, changing the anomalous phonon damping into an anomaly in the dispersion. This proposal explains the intrinsic connection between the anomalous pseudogap phase, enhanced superconducting fluctuations and giant anomalies in the phonon spectra.
C1 [Liu, Ye-Hua; Rice, T. M.] Swiss Fed Inst Technol, Theoret Phys, CH-8093 Zurich, Switzerland.
[Konik, Robert M.; Rice, T. M.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
[Zhang, Fu-Chun] Zhejiang Univ, Dept Phys, Hangzhou 310027, Zhejiang, Peoples R China.
[Zhang, Fu-Chun] Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Jiangsu, Peoples R China.
RP Rice, TM (reprint author), Swiss Fed Inst Technol, Theoret Phys, CH-8093 Zurich, Switzerland.; Rice, TM (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.; Zhang, FC (reprint author), Zhejiang Univ, Dept Phys, Hangzhou 310027, Zhejiang, Peoples R China.; Zhang, FC (reprint author), Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Jiangsu, Peoples R China.
EM rice@phys.ethz.ch; fuchun@hku.hk
RI Konik, Robert/L-8076-2016
OI Konik, Robert/0000-0003-1209-6890
FU ERC Advanced Grant SIMCOFE; US DOE [DE-AC02-98 CH 10886]; NSFC
[11274269]; National Basic Research Program of China [2014CB921203]
FX We would like to acknowledge Manfred Sigrist, Alexei Tsvelik, Johan
Chang, Wei-Qiang Chen, Jan Gukelberger, Dirk Manske, Mathieu Le Tacon,
Matthias Troyer, Lei Wang, Shizhong Zhang and Yi Zhou for helpful
discussions. Y.-H.L. is supported by ERC Advanced Grant SIMCOFE. R.M.K.
and visits to Brookhaven Natl. Lab. by Y.-H.L. and T.M.R. are supported
by the US DOE under contract number DE-AC02-98 CH 10886. F.-C.Z. is
partly supported by NSFC grant 11274269 and National Basic Research
Program of China (No. 2014CB921203).
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PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10378
DI 10.1038/ncomms10378
PG 6
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2BL
UT WOS:000369022100015
PM 26785835
ER
PT J
AU Shekhawat, A
Ritchie, RO
AF Shekhawat, Ashivni
Ritchie, Robert O.
TI Toughness and strength of nanocrystalline graphene
SO NATURE COMMUNICATIONS
LA English
DT Article
ID POLYCRYSTALLINE GRAPHENE; STATISTICAL-MODEL; GRAIN-BOUNDARIES; FRACTURE;
SIZE; FAILURE; NANOINDENTATION; HYDROCARBONS; MEMBRANES; CLEAVAGE
AB Pristine monocrystalline graphene is claimed to be the strongest material known with remarkable mechanical and electrical properties. However, graphene made with scalable fabrication techniques is polycrystalline and contains inherent nanoscale line and point defects-grain boundaries and grain-boundary triple junctions-that lead to significant statistical fluctuations in toughness and strength. These fluctuations become particularly pronounced for nanocrystalline graphene where the density of defects is high. Here we use large-scale simulation and continuum modelling to show that the statistical variation in toughness and strength can be understood with 'weakest-link' statistics. We develop the first statistical theory of toughness in polycrystalline graphene, and elucidate the nanoscale origins of the grain-size dependence of its strength and toughness. Our results should lead to more reliable graphene device design, and provide a framework to interpret experimental results in a broad class of two-dimensional materials.
C1 [Shekhawat, Ashivni; Ritchie, Robert O.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Shekhawat, Ashivni; Ritchie, Robert O.] Univ Calif Berkeley, Dept Mat Sci & Engn, 324 Hearst Mem Min Bldg,MC 1760, Berkeley, CA 94720 USA.
[Shekhawat, Ashivni] Miller Inst Basic Res Sci, Berkeley, CA 94720 USA.
RP Shekhawat, A; Ritchie, RO (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.; Shekhawat, A; Ritchie, RO (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, 324 Hearst Mem Min Bldg,MC 1760, Berkeley, CA 94720 USA.; Shekhawat, A (reprint author), Miller Inst Basic Res Sci, Berkeley, CA 94720 USA.
EM shekhawat.ashivni@gmail.com; roritchie@lbl.gov
RI Ritchie, Robert/A-8066-2008
OI Ritchie, Robert/0000-0002-0501-6998
FU Mechanical Behaviour of Materials Program at the Lawrence Berkeley
National Laboratory - U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences, Materials Sciences and Engineering
Division [KC13, DE-AC02-05CH11231]; Miller Institute for Basic Research
in Science, at the University of California, Berkeley
FX This work was supported by the Mechanical Behaviour of Materials Program
(KC13) at the Lawrence Berkeley National Laboratory, funded by the U.S.
Department of Energy, Office of Science, Office of Basic Energy
Sciences, Materials Sciences and Engineering Division, under Contract
No. DE-AC02-05CH11231. A.S. acknowledges financial support from the
Miller Institute for Basic Research in Science, at the University of
California, Berkeley, in the form of a Miller Research Fellowship.
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PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10546
DI 10.1038/ncomms10546
PG 8
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2CR
UT WOS:000369025300002
PM 26817712
ER
PT J
AU Shih, PM
Occhialini, A
Cameron, JC
Andralojc, PJ
Parry, MAJ
Kerfeld, CA
AF Shih, Patrick M.
Occhialini, Alessandro
Cameron, Jeffrey C.
Andralojc, P. John
Parry, Martin A. J.
Kerfeld, Cheryl A.
TI Biochemical characterization of predicted Precambrian RuBisCO
SO NATURE COMMUNICATIONS
LA English
DT Article
ID CO2 CONCENTRATING MECHANISMS; BISPHOSPHATE CARBOXYLASE OXYGENASE;
SUBSTRATE-SPECIFICITY FACTOR; RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE;
MAXIMUM-LIKELIHOOD; ATMOSPHERIC CO2; CARBON-DIOXIDE; EVOLUTION;
PROTEINS; PLANTS
AB The antiquity and global abundance of the enzyme, RuBisCO, attests to the crucial and longstanding role it has played in the biogeochemical cycles of Earth over billions of years. The counterproductive oxygenase activity of RuBisCO has persisted over billions of years of evolution, despite its competition with the carboxylase activity necessary for carbon fixation, yet hypotheses regarding the selective pressures governing RuBisCO evolution have been limited to speculation. Here we report the resurrection and biochemical characterization of ancestral RuBisCOs, dating back to over one billion years ago (Gyr ago). Our findings provide an ancient point of reference revealing divergent evolutionary paths taken by eukaryotic homologues towards improved specificity for CO2, versus the evolutionary emphasis on increased rates of carboxylation observed in bacterial homologues. Consistent with these distinctions, in vivo analysis reveals the propensity of ancestral RuBisCO to be encapsulated into modern-day carboxysomes, bacterial organelles central to the cyanobacterial CO2 concentrating mechanism.
C1 [Shih, Patrick M.; Cameron, Jeffrey C.; Kerfeld, Cheryl A.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA.
[Occhialini, Alessandro; Andralojc, P. John; Parry, Martin A. J.] Rothamsted Res, Dept Plant Biol & Crop Sci, Harpenden AL5 2JQ, Herts, England.
[Parry, Martin A. J.] Univ Lancaster, Lancaster Environm Ctr, Lancaster, England.
[Kerfeld, Cheryl A.] Michigan State Univ, DOE Plant Res Labs, Dept Biochem & Mol Biol, E Lansing, MI USA.
[Kerfeld, Cheryl A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Shih, Patrick M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94720 USA.
RP Shih, PM; Kerfeld, CA (reprint author), Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA.; Kerfeld, CA (reprint author), Michigan State Univ, DOE Plant Res Labs, Dept Biochem & Mol Biol, E Lansing, MI USA.; Kerfeld, CA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.; Shih, PM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94720 USA.
EM pmshih@gmail.com; ckerfeld@lbl.gov
OI Parry, Martin/0000-0002-4477-672X
FU NSF [MCB0851054, EF 1105897]; ARPA-E [DE-0000200]; BBSRC 20:20 Wheat
Institute Strategic Program (BBSRC) [BB/J/00426X/1 20:20 Wheat]; BBSRC
[BB/I002545/1, BB/I017372/1, BB/1024488/1]
FX We thank the Hayer-Hartl Lab for providing the pBAD33ES/EL vector. We
thank Dr Kathleen Scott for providing the pET101/D-TOPO MIT9313 cbbL/S
vector for expressing the Prochlorococcus RuBisCO in E. coli. P.M.S.,
J.C.C. and C.A.K. were supported by the NSF (MCB0851054, C.A.K. and
P.M.S.; EF 1105897, C.A.K. and J.C.C.) and ARPA-E DE-0000200. A.O.,
P.J.A. and M.A.J.P. are supported by the BBSRC 20:20 Wheat Institute
Strategic Program (BBSRC BB/J/00426X/1 20:20 Wheat) and BBSRC
BB/I002545/1, BB/I017372/1. P.J.A., M.A.J.P. and A.O. acknowledge
support through BBSRC BB/1024488/1.
NR 63
TC 5
Z9 5
U1 4
U2 24
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10382
DI 10.1038/ncomms10382
PG 11
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2AI
UT WOS:000369019200001
PM 26790750
ER
PT J
AU Shuai, M
Klittnick, A
Shen, Y
Smith, GP
Tuchband, MR
Zhu, C
Petschek, RG
Mertelj, A
Lisjak, D
Copic, M
Maclennan, JE
Glaser, MA
Clark, NA
AF Shuai, M.
Klittnick, A.
Shen, Y.
Smith, G. P.
Tuchband, M. R.
Zhu, C.
Petschek, R. G.
Mertelj, A.
Lisjak, D.
Copic, M.
Maclennan, J. E.
Glaser, M. A.
Clark, N. A.
TI Spontaneous liquid crystal and ferromagnetic ordering of colloidal
magnetic nanoplates
SO NATURE COMMUNICATIONS
LA English
DT Article
ID NEMATIC-ISOTROPIC TRANSITION; SUSPENSIONS; PLATELETS; PARTICLES;
SYSTEMS; FLUID; PHASE; FERROFLUIDS; STABILITY; DIPOLAR
AB Ferrofluids are familiar as colloidal suspensions of ferromagnetic nanoparticles in aqueous or organic solvents. The dispersed particles are randomly oriented but their moments become aligned if a magnetic field is applied, producing a variety of exotic and useful magnetomechanical effects. A longstanding interest and challenge has been to make such suspensions macroscopically ferromagnetic, that is having uniform magnetic alignment in the absence of a field. Here we report a fluid suspension of magnetic nanoplates that spontaneously aligns into an equilibrium nematic liquid crystal phase that is also macroscopically ferromagnetic. Its zero-field magnetization produces distinctive magnetic self-interaction effects, including liquid crystal textures of fluid block domains arranged in closed flux loops, and makes this phase highly sensitive, with it dramatically changing shape even in the Earth's magnetic field.
C1 [Shuai, M.; Klittnick, A.; Shen, Y.; Smith, G. P.; Tuchband, M. R.; Maclennan, J. E.; Glaser, M. A.; Clark, N. A.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA.
[Shuai, M.; Klittnick, A.; Shen, Y.; Smith, G. P.; Tuchband, M. R.; Maclennan, J. E.; Glaser, M. A.; Clark, N. A.] Univ Colorado, Soft Mat Res Ctr, Boulder, CO 80309 USA.
[Zhu, C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Petschek, R. G.] Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA.
[Mertelj, A.; Lisjak, D.; Copic, M.] Jozef Stefan Inst, SI-1000 Ljubljana, Slovenia.
[Copic, M.] Univ Ljubljana, Fac Math & Phys, SI-1000 Ljubljana, Slovenia.
RP Clark, NA (reprint author), Univ Colorado, Dept Phys, Boulder, CO 80309 USA.; Clark, NA (reprint author), Univ Colorado, Soft Mat Res Ctr, Boulder, CO 80309 USA.
EM Noel.Clark@colorado.edu
RI Glaser, Matthew/H-2345-2016; Clark, Noel/E-9011-2010; Mertelj,
Alenka/C-6209-2011; Lisjak, Darja/Q-7474-2016;
OI Glaser, Matthew/0000-0002-8366-5598; Mertelj,
Alenka/0000-0002-2766-9121; Lisjak, Darja/0000-0003-4154-4592; Tuchband,
Michael/0000-0001-6560-1913
FU Soft Materials Research Center under NSF MRSEC [DMR-0820579,
DMR-1420736]; Institute for Complex Adaptive Matter Postdoctoral
Fellowship Award [OCG5711B]; Slovenian Research Agency [P1-0192,
P2-0089-4]; Office of Science and Office of Basic Energy Sciences of the
US Department of Energy [DE-AC02-05CH11231]
FX This work was supported by the Soft Materials Research Center under NSF
MRSEC Grants DMR-0820579 and DMR-1420736, by the Institute for Complex
Adaptive Matter Postdoctoral Fellowship Award OCG5711B and by Slovenian
Research Agency Grants P1-0192 and P2-0089-4. The synchrotron X-ray
experiments were supported by the Director of the Office of Science and
Office of Basic Energy Sciences of the US Department of Energy under
Contract No. DE-AC02-05CH11231.
NR 37
TC 3
Z9 3
U1 15
U2 47
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10394
DI 10.1038/ncomms10394
PG 8
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2BM
UT WOS:000369022200003
PM 26817823
ER
PT J
AU Vasseur, G
Fagot-Revurat, Y
Sicot, M
Kierren, B
Moreau, L
Malterre, D
Cardenas, L
Galeotti, G
Lipton-Duffin, J
Rosei, F
Di Giovannantonio, M
Contini, G
Le Fevre, P
Bertran, F
Liang, LB
Meunier, V
Perepichka, DF
AF Vasseur, Guillaume
Fagot-Revurat, Yannick
Sicot, Muriel
Kierren, Bertrand
Moreau, Luc
Malterre, Daniel
Cardenas, Luis
Galeotti, Gianluca
Lipton-Duffin, Josh
Rosei, Federico
Di Giovannantonio, Marco
Contini, Giorgio
Le Fevre, Patrick
Bertran, Francois
Liang, Liangbo
Meunier, Vincent
Perepichka, Dmitrii F.
TI Quasi one-dimensional band dispersion and surface metallization in
long-range ordered polymeric wires
SO NATURE COMMUNICATIONS
LA English
DT Article
ID CONFINED ULLMANN POLYMERIZATION; BOTTOM-UP FABRICATION; GRAPHENE
NANORIBBONS; ELECTRONIC-STRUCTURE; ORGANOMETALLIC INTERMEDIATE;
CONJUGATED POLYMERS; COUPLING REACTION; MOLECULAR WIRES; COINAGE METALS;
EVOLUTION
AB On-surface covalent self-assembly of organic molecules is a very promising bottom-up approach for producing atomically controlled nanostructures. Due to their highly tuneable properties, these structures may be used as building blocks in electronic carbon-based molecular devices. Following this idea, here we report on the electronic structure of an ordered array of poly(para-phenylene) nanowires produced by surface-catalysed dehalogenative reaction. By scanning tunnelling spectroscopy we follow the quantization of unoccupied molecular states as a function of oligomer length, with Fermi level crossing observed for long chains. Angle-resolved photoelectron spectroscopy reveals a quasi-1D valence band as well as a direct gap of 1.15 eV, as the conduction band is partially filled through adsorption on the surface. Tight-binding modelling and ab initio density functional theory calculations lead to a full description of the band structure, including the gap size and charge transfer mechanisms, highlighting a strong substrate-molecule interaction that drives the system into a metallic behaviour.
C1 [Vasseur, Guillaume; Fagot-Revurat, Yannick; Sicot, Muriel; Kierren, Bertrand; Moreau, Luc; Malterre, Daniel] Univ Lorraine, CNRS, Inst Jean Lamour, UMR 7198, BP 70239, F-54506 Vandoeuvre Les Nancy, France.
[Cardenas, Luis; Galeotti, Gianluca; Lipton-Duffin, Josh; Rosei, Federico] Inst Natl Rech Sci, Ctr Energie Mat & Telecommun, 1650 Blvd Lionel Boulet, Varennes, PQ J3X 1S2, Canada.
[Cardenas, Luis] Inst Rech Catalyse & Environm Lyon, IRCELYON, F-69626 Villeurbanne, France.
[Lipton-Duffin, Josh] Queensland Univ Technol, Inst Future Environm, 2 George St, Brisbane, Qld 4001, Australia.
[Rosei, Federico] Univ Elect Sci & Technol China, Inst Fundamental & Frontier Sci, Chengdu 610054, Peoples R China.
[Di Giovannantonio, Marco; Contini, Giorgio] CNR, Inst Struttura Mat, Via Fosso del Cavaliere 100, I-00133 Rome, Italy.
[Contini, Giorgio] Univ Roma Tor Vergata, Dept Phys, Via Ric Sci 1, I-00133 Rome, Italy.
[Le Fevre, Patrick; Bertran, Francois] Synchrotron SOLEIL, LOrme Merisiers, BP 48, F-91192 Gif Sur Yvette, France.
[Liang, Liangbo; Meunier, Vincent] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA.
[Liang, Liangbo] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Perepichka, Dmitrii F.] McGill Univ, Dept Chem, 801 Sherbrooke St W, Montreal, PQ H3A 0B8, Canada.
RP Fagot-Revurat, Y (reprint author), Univ Lorraine, CNRS, Inst Jean Lamour, UMR 7198, BP 70239, F-54506 Vandoeuvre Les Nancy, France.
EM yannick.fagot@univ-lorraine.fr
RI BERTRAN, Francois/B-7515-2008; Liang, Liangbo/H-4486-2011;
Lipton-Duffin, Josh/P-1595-2016
OI BERTRAN, Francois/0000-0002-2416-0514; Liang,
Liangbo/0000-0003-1199-0049; Lipton-Duffin, Josh/0000-0002-7280-4919
FU Conseil Franco-Quebecois de Cooperation Universitaire; France-Italie
International Program of Scientific Cooperation (PICS-CNRS); NSERC
Discovery Grants; FRQNT team grant; MEIE project; NSERC; Elsevier; FRSQ;
New York State under NYSTAR program [C080117]; Office of Naval Research;
Eugene P. Wigner Fellowship at Oak Ridge National Laboratory
FX This work is supported by the Conseil Franco-Quebecois de Cooperation
Universitaire and the France-Italie International Program of Scientific
Cooperation (PICS-CNRS). D.F.P. and F.R. are supported by NSERC
Discovery Grants as well as an FRQNT team grant and an MEIE project
(collaboration with Belgium). F.R. acknowledges NSERC for an EWR Steacie
Memorial Fellowship and Elsevier for a grant from Applied Surface
Science. L.C. acknowledges partial salary support through a personal
fellowship from FRSQ. The theoretical work at Rensselaer Polytechnic
Institute (RPI) was supported by New York State under NYSTAR program
C080117 and the Office of Naval Research. L.L. was supported by Eugene
P. Wigner Fellowship at Oak Ridge National Laboratory.
NR 63
TC 11
Z9 11
U1 22
U2 76
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10235
DI 10.1038/ncomms10235
PG 9
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2AS
UT WOS:000369020200002
PM 26725974
ER
PT J
AU Xu, T
Walter, EC
Agrawal, A
Bohn, C
Velmurugan, J
Zhu, WQ
Lezec, HJ
Talin, AA
AF Xu, Ting
Walter, Erich C.
Agrawal, Amit
Bohn, Christopher
Velmurugan, Jeyavel
Zhu, Wenqi
Lezec, Henri J.
Talin, A. Alec
TI High-contrast and fast electrochromic switching enabled by plasmonics
SO NATURE COMMUNICATIONS
LA English
DT Article
ID ROLL-TO-ROLL; NANOIMPRINT LITHOGRAPHY; PHOTONIC-CRYSTAL; COLOR FILTERS;
HOLE ARRAYS; THIN-FILMS; DEVICES; DISPLAYS; POLYMERS; ELECTROLUMINESCENT
AB With vibrant colours and simple, room-temperature processing methods, electrochromic polymers have attracted attention as active materials for flexible, low-power-consuming devices. However, slow switching speeds in devices realized to date, as well as the complexity of having to combine several distinct polymers to achieve a full-colour gamut, have limited electrochromic materials to niche applications. Here we achieve fast, high-contrast electrochromic switching by significantly enhancing the interaction of light-propagating as deep-subwavelength-confined surface plasmon polaritons through arrays of metallic nanoslits, with an electrochromic polymer-present as an ultra-thin coating on the slit sidewalls. The switchable configuration retains the short temporal charge-diffusion characteristics of thin electrochromic films, while maintaining the high optical contrast associated with thicker electrochromic coatings. We further demonstrate that by controlling the pitch of the nanoslit arrays, it is possible to achieve a full-colour response with high contrast and fast switching speeds, while relying on just one electrochromic polymer.
C1 [Xu, Ting] Nanjing Univ, Coll Engn & Appl Sci, Natl Lab Solid State Microstruct, 22 Hankou Rd, Nanjing 210093, Jiangsu, Peoples R China.
[Xu, Ting] Nanjing Univ, Collaborat Innovat Ctr Adv Microstruct, 22 Hankou Rd, Nanjing 210093, Jiangsu, Peoples R China.
[Xu, Ting; Walter, Erich C.; Agrawal, Amit; Bohn, Christopher; Velmurugan, Jeyavel; Zhu, Wenqi; Lezec, Henri J.; Talin, A. Alec] NIST, Ctr Nanoscale Sci & Technol, Gaithersburg, MD 20899 USA.
[Xu, Ting; Walter, Erich C.; Agrawal, Amit; Velmurugan, Jeyavel; Zhu, Wenqi] Univ Maryland, Maryland Nanoctr, College Pk, MD 20742 USA.
[Talin, A. Alec] Sandia Natl Labs, Livermore, CA 94551 USA.
RP Xu, T (reprint author), Nanjing Univ, Coll Engn & Appl Sci, Natl Lab Solid State Microstruct, 22 Hankou Rd, Nanjing 210093, Jiangsu, Peoples R China.; Xu, T (reprint author), Nanjing Univ, Collaborat Innovat Ctr Adv Microstruct, 22 Hankou Rd, Nanjing 210093, Jiangsu, Peoples R China.; Xu, T; Lezec, HJ; Talin, AA (reprint author), NIST, Ctr Nanoscale Sci & Technol, Gaithersburg, MD 20899 USA.; Xu, T (reprint author), Univ Maryland, Maryland Nanoctr, College Pk, MD 20742 USA.; Talin, AA (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA.
EM xuting@nju.edu.cn; henri.lezec@nist.gov; aatalin@sandia.gov
FU University of Maryland [70NANB10H193]; National Institute of Standards
and Technology, Center for Nanoscale Science and Technology through the
University of Maryland [70NANB10H193]; Nanostructures for Electrical
Energy Storage (NEES), an Energy Frontier Research Center - U.S.
Department of Energy, Office of Science, Basic Energy Sciences
[DESC0001160]; U.S. DOE National Nuclear Security Administration
[DE-AC04-94AL85000]; Thousand Talents Program for Young Professionals,
Collaborative Innovations Center of Advanced Microstructures;
Fundamental Research Funds for the Central Universities
FX T.X., E.C. W., A. A., J.V. and W.Z. acknowledge support under the
Cooperative Research Agreement between the University of Maryland and
the National Institute of Standards and Technology, Center for Nanoscale
Science and Technology, Award 70NANB10H193, through the University of
Maryland. A.A.T. was supported by the Nanostructures for Electrical
Energy Storage (NEES), an Energy Frontier Research Center funded by the
U.S. Department of Energy, Office of Science, Basic Energy Sciences
under Award number DESC0001160. Sandia is a multi-programme laboratory
operated by Sandia Corporation, a Lockheed Martin Company, for the U.S.
DOE National Nuclear Security Administration under Contract
DE-AC04-94AL85000. T.X. acknowledges support from the Thousand Talents
Program for Young Professionals, Collaborative Innovations Center of
Advanced Microstructures and the Fundamental Research Funds for the
Central Universities.
NR 39
TC 7
Z9 7
U1 45
U2 135
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10479
DI 10.1038/ncomms10479
PG 6
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2AJ
UT WOS:000369019300007
PM 26814453
ER
PT J
AU Keereetaweep, J
Chapman, KD
AF Keereetaweep, Jantana
Chapman, Kent D.
TI Lipidomic Analysis of Endocannabinoid Signaling: Targeted Metabolite
Identification and Quantification
SO NEURAL PLASTICITY
LA English
DT Review
ID TANDEM MASS-SPECTROMETRY; ACID AMIDE HYDROLASE; RAT-BRAIN TISSUE; ACYL
AMINO-ACIDS; N-ACYLETHANOLAMINES; HUMAN PLASMA; CANNABINOID RECEPTOR;
ENDOGENOUS CANNABINOIDS; ELECTROSPRAY-IONIZATION; INTRAOCULAR-PRESSURE
AB The endocannabinoids N-arachidonoylethanolamide (or anandamide, AEA) and 2-arachidonoylglycerol (2-AG) belong to the larger groups of N-acylethanolamines (NAEs) and monoacylglycerol (MAG) lipid classes, respectively. They are biologically active lipid molecules that activate G-protein-coupled cannabinoid receptors found in various organisms. After AEA and 2-AG were discovered in the 1990s, they have been extensively documented to have a broad range of physiological functions. Along with AEA, several NAEs, for example, N-palmitoylethanolamine (PEA), N-stearoylethanolamine (SEA), and N-oleoylethanolamine (OEA) are also present in tissues, usually at much larger concentrations than AEA. Any perturbation that involves the endocannabinoid pathway may subsequently alter basal level or metabolism of these lipid mediators. Further, the altered levels of these molecules often reflect pathological conditions associated with tissue damage. Robust and sensitive methodologies to analyze these lipid mediators are essential to understanding how they act as endocannabinoids. The recent advances in mass spectrometry allow researchers to develop lipidomics approaches and several methodologies have been proposed to quantify endocannabinoids in various biological systems.
C1 [Keereetaweep, Jantana; Chapman, Kent D.] Univ N Texas, Dept Biol Sci, Ctr Plant Lipid Res, Denton, TX 76203 USA.
[Keereetaweep, Jantana] Brookhaven Natl Lab, 50 Bell Ave,Bldg 463,POB 5000, Upton, NY 11973 USA.
RP Chapman, KD (reprint author), Univ N Texas, Dept Biol Sci, Ctr Plant Lipid Res, Denton, TX 76203 USA.
EM chapman@unt.edu
FU U.S. Department of Energy, Office of Science, Basic Energy Sciences
program [DE-FG02-05ER15647]
FX The authors' work on N-acylethanolamine analyses has been supported by a
grant from the U.S. Department of Energy, Office of Science, Basic
Energy Sciences program (DE-FG02-05ER15647).
NR 92
TC 0
Z9 0
U1 1
U2 5
PU HINDAWI LTD
PI LONDON
PA ADAM HOUSE, 3RD FLR, 1 FITZROY SQ, LONDON, WIT 5HE, ENGLAND
SN 2090-5904
EI 1687-5443
J9 NEURAL PLAST
JI Neural. Plast.
PY 2016
AR 2426398
DI 10.1155/2016/2426398
PG 13
WC Neurosciences
SC Neurosciences & Neurology
GA DB9TI
UT WOS:000368859400001
ER
PT J
AU Capote, R
Chen, YJ
Hambsch, FJ
Kornilov, NV
Lestone, JP
Litaize, O
Morillon, B
Neudecker, D
Oberstedt, S
Ohsawa, T
Otuka, N
Pronyaev, VG
Saxena, A
Serot, O
Shcherbakov, OA
Shu, NC
Smith, DL
Talou, P
Trkov, A
Tudora, AC
Vogt, R
Vorobyev, AS
AF Capote, R.
Chen, Y. -J
Hambsch, F. -J.
Kornilov, N. V.
Lestone, J. P.
Litaize, O.
Morillon, B.
Neudecker, D.
Oberstedt, S.
Ohsawa, T.
Otuka, N.
Pronyaev, V. G.
Saxena, A.
Serot, O.
Shcherbakov, O. A.
Shu, N. -C
Smith, D. L.
Talou, P.
Trkov, A.
Tudora, A. C.
Vogt, R.
Vorobyev, A. S.
TI Prompt Fission Neutron Spectra of Actinides
SO NUCLEAR DATA SHEETS
LA English
DT Article
ID MONTE-CARLO-SIMULATION; NUCLEAR-CHARGE DISTRIBUTION; ATOMIC MASS
EVALUATION; CROSS-SECTION; UNCERTAINTY QUANTIFICATION;
ENERGY-DISTRIBUTIONS; FRAGMENT PROPERTIES; GAMMA EMISSION; POINT MODEL;
MULTIMODAL ANALYSIS
AB The energy spectrum of prompt neutrons emitted in fission (PFNS) plays a very important role in nuclear science and technology. A Coordinated Research Project (CRP) "Evaluation of Prompt Fission Neutron Spectra of Actinides" was established by the IAEA Nuclear Data Section in 2009, with the major goal to produce new PFNS evaluations with uncertainties for actinide nuclei. The following technical areas were addressed: (i) experiments and uncertainty quantification (UQ): New data for neutron-induced fission of U-233, (235)u, U-238, and Pu-239 have been measured, and older data have been compiled and reassessed. There is evidence from the experimental work of this CRP that a very small percentage of neutrons emitted in fission are actually scission neutrons; (ii) modeling: The Los Alamos model (LAM) continues to be the workhorse for PFNS evaluations. Monte Carlo models have been developed that describe the fission phenomena microscopically, but further development is needed to produce PFNS evaluations meeting the uncertainty targets; (iii) evaluation methodologies: PFNS evaluations rely on the use of the least-squares techniques for merging experimental and model data. Considerable insight was achieved on how to deal with the problem of too small uncertainties in PFNS evaluations. The importance of considering that all experimental PFNS data are "shape" data was stressed; (iv) PFNS evaluations: New evaluations, including covariance data, were generated for major actinides including 1) non-model GMA evaluations of the U-235(n(th),f), Pu-239(n(th),f), and U-233(n(th),f) PFNS based exclusively on experimental data (0.02 <= E <= 10 MeV), which resulted in PFNS average energies (E) over bar of 2.00 +/- 0.01, 2.073 +/- 0.010, and 2.030 +/- 0.013 MeV, respectively; 2) LAM evaluations of neutron-induced fission spectra on uranium and plutonium targets with improved UQ for incident energies from thermal up to 30 MeV; and 3) Point-by-Point calculations for Th-232, U-234 and Np-237 targets; and (v) data testing: Spectrum averaged cross sections (SACS) calculated for the evaluated U-233(n(th),f) PFN field agree within uncertainties with evaluated SACS experimental data. Despite the observed reduction of the PFNS (E) over bar by about 30 keV for neutron-induced fission of U-233, U-235, and Pu-239, the criticality benchmark outcomes suggested that new evaluations can achieve the same (or better) integral performance with respect to existing evaluations, but the strong compensating effects observed need to be addressed. Summarizing, this project has significantly improved PFNS evaluations and evaluation methodology, provided new PFNS data for applications, and also highlighted the areas for future research.
C1 [Capote, R.; Trkov, A.] IAEA, NAPC Nucl Data Sect, A-1400 Vienna, Austria.
[Chen, Y. -J; Shu, N. -C] China Nucl Data Ctr, China Inst Atom Energy, Beijing 102413, Peoples R China.
[Hambsch, F. -J.; Oberstedt, S.] Commiss European Communities, Joint Res Ctr IRMM, Retieseweg 111, B-2440 Geel, Belgium.
[Kornilov, N. V.] Ohio Univ, Dept Phys & Astron, Athens, OH 45701 USA.
[Lestone, J. P.; Talou, P.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA.
[Litaize, O.; Serot, O.] CEA, DEN, DER, SPRC, F-13108 St Paul Les Durance, France.
[Morillon, B.] CEA, DAM, DIF, F-91297 Arpajon, France.
[Ohsawa, T.] Kinki Univ, Sch Sci & Engn, Higashiosaka, Osaka Fu 5778502, Japan.
[Pronyaev, V. G.] Inst Phys & Power Engn, Obninsk, Russia.
[Saxena, A.] Bhabha Atom Res Ctr, Div Nucl Phys, Bombay 400085, Maharashtra, India.
[Shcherbakov, O. A.; Vorobyev, A. S.] NRC Kurchatov Inst, Petersburg Nucl Phys Inst, Neutron Res Dept, Gatchina 188300, Russia.
[Smith, D. L.] Argonne Natl Lab, 1710 Ave Mundo 1506, Coronado, CA 92118 USA.
[Tudora, A. C.] Univ Bucharest, Fac Phys, POB MG-11, RO-077125 Magurele, Romania.
[Vogt, R.] Lawrence Livermore Natl Lab, Nucl & Chem Sci Div, Livermore, CA 94551 USA.
[Vogt, R.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA.
RP Capote, R (reprint author), IAEA, NAPC Nucl Data Sect, A-1400 Vienna, Austria.
EM r.capotenoy@iaea.org
RI Capote Noy, Roberto/M-1245-2014
OI Capote Noy, Roberto/0000-0002-1799-3438
NR 358
TC 7
Z9 7
U1 9
U2 20
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 2016
VL 131
SI SI
BP 1
EP 106
DI 10.1016/j.nds.2015.12.002
PG 106
WC Physics, Nuclear
SC Physics
GA DB8GI
UT WOS:000368754800002
ER
PT J
AU Neudecker, D
Taddeucci, TN
Haight, RC
Lee, HY
White, MC
Rising, ME
AF Neudecker, D.
Taddeucci, T. N.
Haight, R. C.
Lee, H. Y.
White, M. C.
Rising, M. E.
TI The Need for Precise and Well-documented Experimental Data on Prompt
Fission Neutron Spectra from Neutron-induced Fission of Pu-239
SO NUCLEAR DATA SHEETS
LA English
DT Article
ID ENERGY-SPECTRUM; UNCERTAINTY QUANTIFICATION; NUCLEAR-DATA; CF-252;
IMPACT; U-235; COVARIANCES; SCATTERING; DETECTOR; URANIUM
AB The spectrum of neutrons emitted promptly after Pu-239(n,f)-a so-called prompt fission neutron spectrum (PFNS)-is a quantity of high interest, for instance, for reactor physics and global security. However, there are only few experimental data sets available that are suitable for evaluations. In addition, some of those data sets differ by more than their 1-sigma uncertainty boundaries. We present the results of MCNP studies indicating that these differences are partly caused by underestimated multiple scattering contributions, over-corrected background, and inconsistent deconvolution methods. A detailed uncertainty quantification for suitable experimental data was undertaken including these effects, and test-evaluations were performed with the improved uncertainty information. The test-evaluations illustrate that the inadequately estimated effects and detailed uncertainty quantification have an impact on the evaluated PFNS and associated uncertainties as well as the neutron multiplicity of selected critical assemblies. A summary of data and documentation needs to improve the quality of the experimental database is provided based on the results of simulations and test-evaluations. Given the possibly substantial distortion of the PFNS by multiple scattering and background effects, special care should be taken to reduce these effects in future measurements, e.g., by measuring the Pu-239 PFNS as a ratio to either the U-235 or Cf-252 PFNS.
C1 [Neudecker, D.; Taddeucci, T. N.; Haight, R. C.; Lee, H. Y.; White, M. C.; Rising, M. E.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
RP Neudecker, D (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM dneudecker@lanl.gov
OI White, Morgan/0000-0003-3876-421X
FU NNSA, US DoE [DE-AC52-06NA25396]
FX This study benefited from discussions and information provided by many
colleagues. We would like to specifically acknowledge the valuable input
of R. Capote, M.B. Chadwick, J.J. Egan, Th. Granier, A.G. Kahler, T.
Kawano, N. Kornilov, J.P. Lestone, W. Mannhart, J.M. O'Donnell, N.
Otsuka, V. Pronyaev, A. Sardet, P. Schillebeeckx, D.L. Smith, P.
Staples, J. Taieb and P. Talou. We also thank the unknown reviewer for
his/her detailed and very helpful feedback on the manuscript. Work at
LANL was sponsored by the NNSA, US DoE under Contract No.
DE-AC52-06NA25396.
NR 103
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Z9 2
U1 2
U2 5
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 2016
VL 131
SI SI
BP 289
EP 318
DI 10.1016/j.nds.2015.12.005
PG 30
WC Physics, Nuclear
SC Physics
GA DB8GI
UT WOS:000368754800006
ER
PT J
AU Gooden, ME
Arnold, CW
Becker, JA
Bhatia, C
Bhike, M
Bond, EM
Bredeweg, TA
Fallin, B
Fowler, MM
Howell, CR
Kelley, JH
Krishichayan
Macri, R
Rusev, G
Ryan, C
Sheets, SA
Stoyer, MA
Tonchev, AP
Tornow, W
Vieira, DJ
Wilhelmy, JB
AF Gooden, M. E.
Arnold, C. W.
Becker, J. A.
Bhatia, C.
Bhike, M.
Bond, E. M.
Bredeweg, T. A.
Fallin, B.
Fowler, M. M.
Howell, C. R.
Kelley, J. H.
Krishichayan
Macri, R.
Rusev, G.
Ryan, C.
Sheets, S. A.
Stoyer, M. A.
Tonchev, A. P.
Tornow, W.
Vieira, D. J.
Wilhelmy, J. B.
TI Energy Dependence of Fission Product Yields from U-235, U-238 and Pu-239
for Incident Neutron Energies Between 0.5 and 14.8 MeV
SO NUCLEAR DATA SHEETS
LA English
DT Article
ID MASS DISTRIBUTIONS; SPECTRUM
AB Fission Product Yields (FPY) have historically been one of the most observable features of the fission process. They are known to have strong variations that are dependent on the fissioning species, the excitation energy, and the angular momentum of the compound system. However, consistent and systematic studies of the variation of these FPY with energy have proved challenging. This is caused primarily by the nature of the experiments that have traditionally relied on radiochemical procedures to isolate specific fission products. Although radiochemical procedures exist that can isolate all products, each element presents specific challenges and introduces varying degrees of systematic errors that can make inter-comparison of FPY uncertain. Although of high importance in fields such as nuclear forensics and Stockpile Stewardship, accurate information about the energy dependence of neutron induced FPY are sparse, due primarily to the lack of suitable monoenergetic neutron sources. There is a clear need for improved data, and to address this issue, a collaboration was formed between Los Alamos National Laboratory (LANL), Lawrence Livermore National Laboratory (LLNL) and the Triangle Universities Nuclear Laboratory (TUNL) to measure the energy dependence of FPY for U-235, U-238 and Pu-239. The measurements have been performed at TUNL, using a 10 MV Tandem Van de Graaff accelerator to produce monoenergetic neutrons at energies between 0.6 MeV to 14.8 MeV through a variety of reactions. The measurements have utilized a dual-fission chamber, with thin (10-100 mu g/cm(2)) reference foils of similar material to a thick (100-400 mg) activation target held in the center between the chambers. This method allows for the accurate determination of the number of fissions that occurred in the thick target without requiring knowledge of the fission cross section or neutron fluence on target. Following activation, the thick target was removed from the dual-fission chamber and gamma-ray counted using shielded HPGe detectors for a period of 1-2 months to determine the yield of various fission products. To the extent possible all irradiation and counting procedures were kept the same to minimize sources of systematic errors. FPY have been determined at incident neutron energies of 0.6, 1.4, 2.4, 3.5, 4.6, 5.5, 8.9 and 14.8 MeV.
C1 [Gooden, M. E.; Arnold, C. W.; Bond, E. M.; Bredeweg, T. A.; Fowler, M. M.; Rusev, G.; Vieira, D. J.; Wilhelmy, J. B.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
[Becker, J. A.; Macri, R.; Ryan, C.; Sheets, S. A.; Stoyer, M. A.; Tonchev, A. P.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Bhatia, C.] McMaster Univ, Hamilton, ON L8S 4L8, Canada.
[Bhike, M.; Fallin, B.; Howell, C. R.; Krishichayan; Tornow, W.] Duke Univ, Dept Phys, Durham, NC 27708 USA.
[Bhike, M.; Fallin, B.; Howell, C. R.; Kelley, J. H.; Krishichayan; Tornow, W.] Triangle Univ Nucl Lab, Durham, NC 27708 USA.
[Kelley, J. H.] N Carolina State Univ, Dept Phys, Raleigh, NC 27605 USA.
RP Gooden, ME (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM m_gooden@lanl.gov
OI Rusev, Gencho/0000-0001-7563-1518
FU U.S. Department of Energy at Duke University; Triangle Universities
Nuclear Laboratory through NNSA, Stewardship Science Academic Alliances
Program [DE-FG52-09NA29465, DE-FG52-09NA29448]; Office of Nuclear
Physics [DE-FG02-97ER41033]; Los Alamos National Security, LLC [DE-AC52
06NA25396]; Lawrence Livermore National Security, LLC
[DE-AC52-07NA27344]
FX We wish to thank M.B. Chadwick (LANL) for his insight and support for
the present measurements. Also, thanks to the TUNL Tandem support staff
for the assistance in operating and maintaining the accelerator. This
work was performed under the auspices of U.S. Department of Energy at
Duke University and Triangle Universities Nuclear Laboratory through
NNSA, Stewardship Science Academic Alliances Program Grant No.
DE-FG52-09NA29465, DE-FG52-09NA29448 and Office of Nuclear Physics Grant
No. DE-FG02-97ER41033. At Los Alamos National Laboratory operated by the
Los Alamos National Security, LLC under Contract No. DE-AC52 06NA25396
and at Lawrence Livermore National Laboratory operated by the Lawrence
Livermore National Security, LLC under Contract No. DE-AC52-07NA27344.
NR 32
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U2 10
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 2016
VL 131
SI SI
BP 319
EP 356
DI 10.1016/j.nds.2015.12.006
PG 38
WC Physics, Nuclear
SC Physics
GA DB8GI
UT WOS:000368754800007
ER
PT J
AU Lestone, JP
AF Lestone, J. P.
TI Neutron-fragment and Neutron-neutron Correlations in Low-energy Fission
SO NUCLEAR DATA SHEETS
LA English
DT Article
ID PROMPT NEUTRONS; ANGULAR DISTRIBUTIONS; CF-252; EMISSION; MULTIPLICITY;
SPECTRA; PU-239; CF252; MODEL; U-235
AB A computational method has been developed to simulate neutron emission from thermal-neutron induced fission of U-235 and from spontaneous fission of Cf-252. Measured pre-emission mass-yield curves, average total kinetic energies and their variances, both as functions of mass split, are used to obtain a representation of the distribution of fragment velocities. Measured average neutron multiplicities as a function of mass split and their dependence on total kinetic energy are used. Simulations can be made to reproduce measured factorial moments of neutron-multiplicity distributions with only minor empirical adjustments to some experimental inputs. The neutron-emission spectra in the rest-frame of the fragments are highly constrained by ENDF/B-VII.1 prompt-fission neutron-spectra evaluations. The n-f correlation measurements of Vorobyev et al. (2010) are consistent with predictions where all neutrons are assumed to be evaporated isotropically from the rest frame of fully accelerated fragments. Measured n-f and n-n correlations of others are a little weaker than the predictions presented here. These weaker correlations could be used to infer a weak scission-neutron source. However, the effect of neutron scattering on the experimental results must be studied in detail before moving away from a null hypothesis that all neutrons are evaporated from the fragments.
C1 [Lestone, J. P.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA.
RP Lestone, JP (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA.
EM lestone@lanl.gov
FU National Nuclear Security Agency of the U.S. Department of Energy
[DE-AC52-06NA25396]; Los Alamos National Security, LLC
FX We are grateful to A. J. Sierk and M. B. Chadwick for discussions
related to the physics of fission. Work at Los Alamos National
Laboratory was carried out under the auspices of the National Nuclear
Security Agency of the U.S. Department of Energy under Contract No.
DE-AC52-06NA25396 with Los Alamos National Security, LLC.
NR 42
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U1 5
U2 9
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 2016
VL 131
SI SI
BP 357
EP 376
DI 10.1016/j.nds.2015.12.007
PG 20
WC Physics, Nuclear
SC Physics
GA DB8GI
UT WOS:000368754800008
ER
PT J
AU Hirdt, JA
Brown, DA
AF Hirdt, J. A.
Brown, D. A.
TI Identifying Understudied Nuclear Reactions by Text-mining the EXFOR
Experimental Nuclear Reaction Library
SO NUCLEAR DATA SHEETS
LA English
DT Article
ID PROTON-INDUCED REACTIONS; TOTAL CROSS-SECTIONS; EXCITATION;
COLLABORATION; SCIENCE; COPPER; NA-22
AB The EXFOR library contains the largest collection of experimental nuclear reaction data available as well as the data's bibliographic information and experimental details. We text-mined the REACTION and MONITOR fields of the ENTRYs in the EXFOR library in order to identify understudied reactions and quantities. Using the results of the text-mining, we created an undirected graph from the EXFOR datasets with each graph node representing a single reaction and quantity and graph links representing the various types of connections between these reactions and quantities. This graph is an abstract representation of the connections in EXFOR, similar to graphs of social networks, authorship networks, etc. We use various graph theoretical tools to identify important yet understudied reactions and quantities in EXFOR. Although we identified a few cross sections relevant for shielding applications and isotope production, mostly we identified charged particle fluence monitor cross sections. As a side effect of this work, we learn that our abstract graph is typical of other real-world graphs.
C1 [Hirdt, J. A.] St Josephs Coll, Dept Math & Comp Sci, Patchogue, NY 11772 USA.
[Brown, D. A.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
RP Brown, DA (reprint author), Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
EM dbrown@bnl.gov
RI kiaie, robabeh/I-2157-2016; kiaie, fatemeh/I-6083-2016
OI kiaie, robabeh/0000-0001-5251-3201;
FU Office of Nuclear Physics, Office of Science of the U.S. Department of
Energy [DE-AC02-98CH10886]; Brookhaven Science Associates, LLC; U.S.
Department of Energy, Office of Science, Office of Workforce Development
for Teachers and Scientists under the Science Undergraduate Laboratory
Internships Program
FX We want to thank M. Herman, E. McCutchan (BNL) and J. Fritz (St.
Joseph's College) for their support of this project and acknowledge the
useful discussions with N. Otsuka (IAEA), A. Carlson (NIST), A. Plompen
(IRMM), P. Oblozinsky (BNL, retired) and R. Capote (IAEA). The work at
BNL was sponsored by the Office of Nuclear Physics, Office of Science of
the U.S. Department of Energy under Contract No. DE-AC02-98CH10886 with
Brookhaven Science Associates, LLC. This project was supported in part
by the U.S. Department of Energy, Office of Science, Office of Workforce
Development for Teachers and Scientists under the Science Undergraduate
Laboratory Internships Program.
NR 36
TC 0
Z9 0
U1 1
U2 6
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 2016
VL 131
SI SI
BP 377
EP 399
DI 10.1016/j.nds.2015.12.008
PG 23
WC Physics, Nuclear
SC Physics
GA DB8GI
UT WOS:000368754800009
ER
PT J
AU Daniels, SL
Pressman, JG
Wahman, DG
AF Daniels, Stephanie L.
Pressman, Jonathan G.
Wahman, David G.
TI AFM structural characterization of drinking water biofilm under
physiological conditions
SO RSC ADVANCES
LA English
DT Article
ID ATOMIC-FORCE-MICROSCOPY; NANOSCALE CHARACTERIZATION;
DISTRIBUTION-SYSTEM; ESCHERICHIA-COLI; MICROBIAL CELL; SURFACES
AB Due to the complexity of mixed culture drinking water biofilm, direct visual observation under in situ conditions has been challenging. In this study, atomic force microscopy (AFM) revealed the three dimensional morphology and arrangement of drinking water relevant biofilm in air and aqueous solution. Operating parameters were optimized to improve imaging of structural details for a mature biofilm in liquid. By using a soft cantilever (0.03 N m(-1)) and slow scan rate (0.5 Hz), biofilm and the structural topography of individual bacterial cells were resolved and continuously imaged in liquid without fixation of the sample, loss of spatial resolution, or sample damage. The developed methodology will allow future in situ investigations to temporally monitor structural changes in mixed culture drinking water biofilm during disinfection treatments.
C1 [Daniels, Stephanie L.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA.
[Daniels, Stephanie L.; Pressman, Jonathan G.; Wahman, David G.] US EPA, Water Supply & Water Resource Div, Natl Risk Management Res Lab, 26 W Martin Luther King Dr, Cincinnati, OH 45268 USA.
RP Wahman, DG (reprint author), US EPA, Water Supply & Water Resource Div, Natl Risk Management Res Lab, 26 W Martin Luther King Dr, Cincinnati, OH 45268 USA.
EM wahman.david@epa.gov
NR 33
TC 0
Z9 0
U1 8
U2 20
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 2016
VL 6
IS 7
BP 5812
EP 5816
DI 10.1039/c5ra20606e
PG 5
WC Chemistry, Multidisciplinary
SC Chemistry
GA DC0XQ
UT WOS:000368941700079
ER
PT J
AU Li, S
Zhu, JL
Wang, YG
Howard, JW
Lu, XJ
Li, YT
Kumar, RS
Wang, LP
Daemen, LL
Zhao, YS
AF Li, Shuai
Zhu, Jinlong
Wang, Yonggang
Howard, John W.
Lu, Xujie
Li, Yutao
Kumar, Ravhi S.
Wang, Liping
Daemen, Luke L.
Zhao, Yusheng
TI Reaction mechanism studies towards effective fabrication of lithium-rich
anti-perovskites Li3OX (X = Cl, Br)
SO SOLID STATE IONICS
LA English
DT Article
DE Solid electrolyte; Lithium-ion battery; Lithium-rich anti-perovskite;
Solid-state reaction
ID IONIC-CONDUCTIVITY; SUPERIONIC CONDUCTORS; BATTERIES; LI; CHALLENGES;
TRANSPORT
AB Lithium-rich anti-perovskites (LiRAPs), with general formula Li3OX (X = Cl, Br), recently reported as superionic conductors with 3-dimensional Li+ migrating channels, are emerging as promising candidates for solid electrolytes in all-solid-state lithium-ion batteries (LIBs). However, great challenges remain in the fabrication of pure LiRAPs due to difficulties such as low yield, impurity phases, thermodynamic instabilities, and moisture sensitivity. In this work, we thoroughly studied the formation mechanism of Li3OCl and Li3OBr using various solid-state reaction routes. Different experimental strategies were developed to improve the syntheses, namely, for the purposes of phase stability, phase purity, and large-scale production. One feasible method is to use the strong reducing agents Li metal or LiH to eliminate the OH species. The results show that LiH is more effective than Li metal, mainly due to negatively charged H- and reaction uniformity. The other successful method employs a solid diffusion approach using Li2O and LiX as the starting reagents, thereby avoiding OH entirely; ball milling of reagents under Ar atmosphere was utilized to decrease initial grain size and increase the reaction rate. Fourier transform infrared spectroscopy (FTIR), thermal analyses, and first-principles calculations were performed to give indications on the reaction pathway. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Li, Shuai; Zhu, Jinlong; Wang, Yonggang; Howard, John W.; Kumar, Ravhi S.; Wang, Liping; Zhao, Yusheng] Univ Nevada, High Pressure Sci & Engn Ctr, Las Vegas, NV 89154 USA.
[Lu, Xujie] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
[Lu, Xujie] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA.
[Li, Yutao] Univ Texas Austin, Mat Res Program, ETC9-184, Austin, TX 78712 USA.
[Li, Yutao] Univ Texas Austin, Texas Mat Inst, ETC9-184, Austin, TX 78712 USA.
[Daemen, Luke L.] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA.
RP Zhao, YS (reprint author), Univ Nevada, High Pressure Sci & Engn Ctr, Las Vegas, NV 89154 USA.
EM yusheng.zhao@unlv.edu
RI Lu, Xujie/L-9672-2014;
OI Lu, Xujie/0000-0001-8402-7160; Wang, Yonggang/0000-0003-4816-9182
FU ARPA-E project [0670-3052]
FX The authors are grateful for the financial support by the ARPA-E project
(0670-3052). We also thank Prof. Zheshuai Lin (TIPC, CAS) for his help
in first-principle calculations.
NR 30
TC 3
Z9 3
U1 30
U2 69
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0167-2738
EI 1872-7689
J9 SOLID STATE IONICS
JI Solid State Ion.
PD JAN
PY 2016
VL 284
BP 14
EP 19
DI 10.1016/j.ssi.2015.11.027
PG 6
WC Chemistry, Physical; Physics, Condensed Matter
SC Chemistry; Physics
GA DC4QJ
UT WOS:000369205100003
ER
PT J
AU Hood, ZD
Kates, C
Kirkham, M
Adhikari, S
Liang, CD
Holzwarth, NAW
AF Hood, Zachary D.
Kates, Cameron
Kirkham, Melanie
Adhikari, Shiba
Liang, Chengdu
Holzwarth, N. A. W.
TI Structural and electrolyte properties of Li4P2S6
SO SOLID STATE IONICS
LA English
DT Article
DE Solid electrolyte; Lithium thiophosphate; Crystal structure; Li ion
conductivity; All-solid-state battery
ID PROJECTOR AUGMENTED-WAVE; SOLID-STATE BATTERIES; MINIMUM ENERGY PATHS;
ELASTIC BAND METHOD; GLASS-CERAMICS; SADDLE-POINTS; LITHIUM; LI2S-P2S5;
CRYSTAL; GAS
AB Experiment and simulations are used to investigate the structural and electrolyte properties of Li4P2S6. Compared with other thiophosphate materials, Li4P2S6 is quite stable, maintaining its crystal structure up to temperatures as high as 950 degrees C in vacuum and up to 280 degrees C in air. While its ionic conductivity is small, 2.38 x 10(-7) S/cm at 25 degrees C and 2.33 x 10(-6)S/cm at 100 degrees C, its Arrhenius activation energy of 0.29 eV is similar to technologically viable electrolytes. Computer simulations provide insight into the causes and effects of disorder in this material and also indicate that the mechanism of the ion conduction is dominated by interstitial sites. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Hood, Zachary D.; Kates, Cameron; Liang, Chengdu; Holzwarth, N. A. W.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Kirkham, Melanie] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA.
[Adhikari, Shiba] Wake Forest Univ, Dept Chem, Winston Salem, NC 27109 USA.
[Hood, Zachary D.] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA.
[Kates, Cameron] Duke Univ, Pratt Sch Engn, Durham, NC 27706 USA.
[Liang, Chengdu] Ningde Amperex Technol Ltd, Res Inst, Ningde, Peoples R China.
RP Holzwarth, NAW (reprint author), Wake Forest Univ, Dept Phys, Winston Salem, NC 27109 USA.
EM natalie@wfu.edu
OI Kirkham, Melanie/0000-0001-8411-9751
FU NSF [DMR-1105485]; Higher Education Research Experiences (HERE) at Oak
Ridge National Laboratory; Scientific User Facilities Division, Office
of Basic Energy Sciences, US Department of Energy
FX The computational portion of this work was supported by NSF grant
DMR-1105485. Computations were performed on the Wake Forest University
DEAC cluster, a centrally managed resource with support provided in part
by the University. Zachary D. Hood was supported by Higher Education
Research Experiences (HERE) at Oak Ridge National Laboratory. The
experimental portion of this work was primarily conducted at the Center
for Nanophase Materials Sciences, which is a DOE Office of Science User
Facility. Additionally, a portion of this research at ORNL's Spallation
Neutron Source was sponsored by the Scientific User Facilities Division,
Office of Basic Energy Sciences, US Department of Energy. We thank Jong
Keum and Andrew Payzant for their assistance with cryogenic XRD
measurements. Helpful discussions with Gayatri Sahu and Hui Wang from
ORNL and William C. Kerr, Michael D. Gross, Keerthi Senevirathne,
Cynthia Day, and Abdessadek Lachgar from WFU are gratefully
acknowledged.
NR 34
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Z9 5
U1 15
U2 57
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0167-2738
EI 1872-7689
J9 SOLID STATE IONICS
JI Solid State Ion.
PD JAN
PY 2016
VL 284
BP 61
EP 70
DI 10.1016/j.ssi.2015.10.015
PG 10
WC Chemistry, Physical; Physics, Condensed Matter
SC Chemistry; Physics
GA DC4QJ
UT WOS:000369205100010
ER
PT J
AU Simocko, CK
Frischknecht, AL
Huber, DL
AF Simocko, Chester K.
Frischknecht, Amalie L.
Huber, Dale L.
TI Phase Behavior of Ternary Polymer Brushes
SO ACS MACRO LETTERS
LA English
DT Article
ID BLOCK-COPOLYMER LITHOGRAPHY; MICROPHASE SEPARATION; GRAFTING DENSITY;
SOFT MATERIALS; THIN-FILMS; SURFACE; SILICA; ARRAYS; REORGANIZATION;
SIMULATIONS
AB Ternary polymer brushes consisting of polystyrene, poly (methyl methacrylate), and poly(4-vinylpyridine) have been synthesized. These brushes laterally phase separate into several distinct phases and can be tailored by altering the relative polymer composition. Self-consistent field, theory has been used to predict the phase diagram and model both the horizontal and vertical phase behavior of the polymer brushes. All phase behaviors observed experimentally correlate well with the theoretical model.
C1 [Simocko, Chester K.; Frischknecht, Amalie L.; Huber, Dale L.] Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800, Albuquerque, NM 87185 USA.
RP Huber, DL (reprint author), Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800, Albuquerque, NM 87185 USA.
EM dale.huber@sandia.gov
RI Huber, Dale/A-6006-2008; Frischknecht, Amalie/N-1020-2014
OI Huber, Dale/0000-0001-6872-8469; Frischknecht,
Amalie/0000-0003-2112-2587
FU U.S. Department of Energy, Office of Science, Basic Energy Sciences,
Materials Sciences and Engineering Division; U.S. Department of Energy's
National Nuclear Security Administration [DE-AC04- 94AL85000]
FX This work was supported by the U.S. Department of Energy, Office of
Science, Basic Energy Sciences, Materials Sciences and Engineering
Division. Ellipsometry and Atomic Force Microscopy were performed at the
Center for Integrated Nano technologies, an Office of Science User
Facility operated for the U.S. Department of Energy (DOE) Office of
Science. Sandia National Laboratories is a multiprogram 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 29
TC 1
Z9 1
U1 11
U2 34
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2161-1653
J9 ACS MACRO LETT
JI ACS Macro Lett.
PD JAN
PY 2016
VL 5
IS 1
BP 149
EP 153
DI 10.1021/acsmacrolett.5b00792
PG 5
WC Polymer Science
SC Polymer Science
GA DB5PW
UT WOS:000368567100031
ER
PT J
AU Pooser, RC
Lawrie, B
AF Pooser, Raphael C.
Lawrie, Benjamin
TI Plasmonic Trace Sensing below the Photon Shot Noise Limit
SO ACS PHOTONICS
LA English
DT Article
DE plasmonics; quantum sensors; quantum plasmonics; surface plasmon
resonance sensors; quantum optics
ID QUANTUM; DISPLACEMENT; METROLOGY; PROTEINS
AB Plasmonic sensors are important detectors of biochemical trace compounds, but those that utilize optical readout are approaching their absolute limits of detection as defined by the Heisenberg uncertainty principle in both differential intensity and phase readout. However, the use of more general minimum uncertainty states in the form of squeezed light can push the noise floor in these sensors below the shot noise limit (SNL) in one analysis variable at the expense of another. Here, we demonstrate a quantum plasmonic sensor whose noise floor is reduced below the SNL in order to perform index of refraction measurements with sensitivities unobtainable with classical plasmonic sensors. The increased signal-to-noise ratio can result in faster detection of analyte concentrations that were previously lost in the noise. These benefits are the hallmarks of a sensor exploiting quantum readout fields in order to manipulate the limits of the Heisenberg uncertainty principle.
C1 [Pooser, Raphael C.; Lawrie, Benjamin] Oak Ridge Natl Lab, Computat Sci & Engn Div, Quantum Informat Sci Grp, Oak Ridge, TN 37830 USA.
RP Pooser, RC (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn Div, Quantum Informat Sci Grp, Oak Ridge, TN 37830 USA.
EM pooserrc@ornl.gov
OI Lawrie, Ben/0000-0003-1431-066X; Pooser, Raphael/0000-0002-2922-453X
FU U.S. Department of Energy [DE-AC05-00OR22725]; ORNL Laboratory directed
research and development program (LDRD)
FX This Letter 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
nonexclusive, 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. 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
acknowledge Jason Schaake and Roderick Davidson for thin film
deposition. The metal film vapor deposition was carried out in the clean
room facility at the Center for Nanophase Material Science (CNMS), a
Department of Energy Office of Science user facility. The authors
acknowledge support from the ORNL Laboratory directed research and
development program (LDRD).
NR 32
TC 8
Z9 8
U1 6
U2 14
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 2016
VL 3
IS 1
BP 8
EP 13
DI 10.1021/acsphotonics.5b00501
PG 6
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Optics; Physics, Applied; Physics, Condensed Matter
SC Science & Technology - Other Topics; Materials Science; Optics; Physics
GA DB5QA
UT WOS:000368567500002
ER
PT J
AU Wu, YY
Li, GL
Cherqui, C
Bigelow, NW
Thakkar, N
Masiello, DJ
Camden, JP
Rack, PD
AF Wu, Yueying
Li, Guoliang
Cherqui, Charles
Bigelow, Nicholas W.
Thakkar, Niket
Masiello, David J.
Camden, Jon P.
Rack, Philip D.
TI Electron Energy Loss Spectroscopy Study of the Full Plasmonic Spectrum
of Self-Assembled Au-Ag Alloy Nanoparticles: Unraveling Size,
Composition, and Substrate Effects
SO ACS PHOTONICS
LA English
DT Article
DE plasmonics; alloy nanoparticles; electron energy loss spectroscopy;
dewetting; self-assembly
ID ENHANCED RAMAN-SCATTERING; PATTERNED METAL-FILMS; OPTICAL-PROPERTIES;
SILVER NANOPARTICLES; SOLAR-CELLS; NOBLE-METAL; GOLD; NANOSPHERES;
RESONANCE; ARRAYS
AB We report the self-assembly of ultrasmooth AuxAg1-x, nanoparticles with homogeneous composition via pulsed laser-induced dewetting (PLiD). The nanoparticles are truncated nanospheres that sustain unique plasmonic features. For the first time an electron energy loss spectroscopy (EELS) study elucidating the size and composition effects on the plasmonic modes of truncated AuxAg1-x, nanospheres is carried out. EELS characterization captures a linear red-shift in both bright and dark modes as a function of the atomic fraction of Au and a progressive red-shift of all modes as the size increases. The results are interpreted in the context of Mie theory and electron beam simulations. Armed with the full plasmonic spectrum of the AuxAg1-x, system, the truncated spheres and their ordered arrays synthesized via PLiD have promise as elements in advanced photonic devices.
C1 [Wu, Yueying; Rack, Philip D.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[Li, Guoliang; Camden, Jon P.] Univ Notre Dame, Dept Chem & Biochem, Notre Dame, IN 46556 USA.
[Cherqui, Charles; Bigelow, Nicholas W.; Masiello, David J.] Univ Washington, Dept Chem, Seattle, WA 98195 USA.
[Thakkar, Niket; Masiello, David J.] Univ Washington, Dept Appl Math, Seattle, WA 98195 USA.
[Rack, Philip D.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Rack, PD (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.; Camden, JP (reprint author), Univ Notre Dame, Dept Chem & Biochem, Notre Dame, IN 46556 USA.; Masiello, DJ (reprint author), Univ Washington, Dept Chem, Seattle, WA 98195 USA.; Masiello, DJ (reprint author), Univ Washington, Dept Appl Math, Seattle, WA 98195 USA.; Rack, PD (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
EM masiello@chem.washington.edu; jon.camden@nd.edu; prack@utk.edu
RI Li, Guoliang/M-6614-2014
OI Li, Guoliang/0000-0003-3798-8422
FU NSF [CBET-1235710]; Scientific User Facilities Division, Office of Basic
Energy Sciences, U.S. Department of Energy; U.S. Department of Energy,
Basic Energy Sciences [DE-SC0010536]; Notre Dame Energy postdoctoral
fellowship; National Science Foundation's CAREER program [CHE-1253775];
NSF XSEDE [PHY-130045]; NSF Graduate Research Fellowship Program
[DGE-1256082]
FX P.D.R. acknowledges that the PLiD self- and directed-assembly portion of
this research was funded by NSF Grant CBET-1235710. P.D.R. further
acknowledges that the nanofabrication 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. This work was supported by
the U.S. Department of Energy, Basic Energy Sciences, under award number
DE-SC0010536 G.L., Y.W.). G.L. also acknowledges support from a Notre
Dame Energy postdoctoral fellowship. This work was supported by the
National Science Foundation's CAREER program under award number
CHE-1253775 (D.J.M.), NSF XSEDE resources under award number PHY-130045
(D.J.M.), and the NSF Graduate Research Fellowship Program under award
number DGE-1256082 (N.T.).
NR 65
TC 3
Z9 3
U1 11
U2 58
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 2016
VL 3
IS 1
BP 130
EP 138
DI 10.1021/acsphotonics.5b00548
PG 9
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Optics; Physics, Applied; Physics, Condensed Matter
SC Science & Technology - Other Topics; Materials Science; Optics; Physics
GA DB5QA
UT WOS:000368567500018
ER
PT J
AU Hagen, A
Poust, S
de Rond, T
Fortman, JL
Katz, L
Petzold, CJ
Keasling, JD
AF Hagen, Andrew
Poust, Sean
de Rond, Tristan
Fortman, Jeffrey L.
Katz, Leonard
Petzold, Christopher J.
Keasling, Jay D.
TI Engineering a Polyketide Synthase for In Vitro Production of Adipic Acid
SO ACS SYNTHETIC BIOLOGY
LA English
DT Article
DE polyketide syrithase; adipic acid; tandem mass-spectrometry
ID LIMITED PROTEOLYSIS; MASS-SPECTROMETRY; ESCHERICHIA-COLI; BIOSYNTHESIS;
DOMAINS
AB PoIyketides have enormous structural diversity, yet polyketide synthases (PKSs) have thus far been engineered to produce only drug candidates or derivatives thereof. Thousands of other molecules,. including commodity and specialty chemicals, could be synthesized using;PKSs if composing hybrid PKSs from well-characterized parts derived from natural PKSs was more efficient. Here, using modern mass spectrometry techniques as an essential part of the design build test cycle, we engineered a chimeric PKS to enable production one of the most widely used commodity chemicals, adipic acid. To accomplish this, we introduced heterologous reductive domains from various PKS clusters into the borrelidin PKS' first extension module, which we previously showed produces a 3-hydroxy-adipoyl intermediate when coincubated with the loading module and a succinyl-CoA starter unit. Acyl-ACP intermediate analysis revealed an unexpected bottleneck at the dehydration step, was overcome introduction of a carboxyacyl-processing dehydratase domain. Appending a thioesterase to the hybrid PKS enabled the production of free adipic acid. Using acyl-intermediate based techniques to "debug" PKSs as described here, it should one day, be possible to engineer chimeric PKSs to produce a variety of existing commodity and specialty chemicals, as well as thousands of chemicals that are difficult to produce from petroleum feedstocks using traditional synthetic chemistry,
C1 [Hagen, Andrew] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94270 USA.
[Poust, Sean; Fortman, Jeffrey L.; Keasling, Jay D.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94270 USA.
[de Rond, Tristan] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94270 USA.
[Keasling, Jay D.] Univ Calif Berkeley, Inst QB3, Berkeley, CA 94270 USA.
[Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94270 USA.
[Fortman, Jeffrey L.; Petzold, Christopher J.; Keasling, Jay D.] US DOE, Joint BioEnergy Inst, 5885 Hollis St, Emeryville, CA 94608 USA.
[Hagen, Andrew; Katz, Leonard; Keasling, Jay D.] US DOE, Synthet Biol Engn Res Ctr, 5885 Hollis St, Emeryville, CA 94608 USA.
[Petzold, Christopher J.; Keasling, Jay D.] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94270 USA.
RP Keasling, JD (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94270 USA.; Keasling, JD (reprint author), Univ Calif Berkeley, Inst QB3, Berkeley, CA 94270 USA.; Keasling, JD (reprint author), Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94270 USA.; Keasling, JD (reprint author), US DOE, Joint BioEnergy Inst, 5885 Hollis St, Emeryville, CA 94608 USA.; Keasling, JD (reprint author), US DOE, Synthet Biol Engn Res Ctr, 5885 Hollis St, Emeryville, CA 94608 USA.; Keasling, JD (reprint author), Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94270 USA.
EM keasling@berkeley.edu
OI Hagen, Andrew/0000-0002-2691-157X
FU Joint BioEnergy Institute - US Department of Energy, Office of Science,
Office of Biological and Environmental Research [DE-AC02-05CH11231];
Synthetic Biology Engineering Research Center (SynBERC) through National
Science Foundation [NSF EEC 0540879]; NSF GRFP [DGE 1106400]; National
Science Foundation [1341894]
FX We thank Michael He for assisting in the synthesis of certain reagents
as well as Ryan Phelan and Satoshi Yuzawa for providing synthetic DNA.
This work was funded by the 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 US Department of Energy, by the Synthetic
Biology Engineering Research Center (SynBERC) through National Science
Foundation grant NSF EEC 0540879, by the NSF GRFP (Grant No. DGE 1106400
to S.P.), and by National Science Foundation Grant No. 1341894.
NR 25
TC 5
Z9 5
U1 7
U2 27
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 2016
VL 5
IS 1
BP 21
EP 27
DI 10.1021/acssynbio5b00153
PG 7
WC Biochemical Research Methods
SC Biochemistry & Molecular Biology
GA DB5PZ
UT WOS:000368567400003
PM 26501439
ER
PT S
AU Paoli, R
Shariff, K
AF Paoli, Roberto
Shariff, Karim
BE Davis, SH
Moin, P
TI Contrail Modeling and Simulation
SO ANNUAL REVIEW OF FLUID MECHANICS, VOL 48
SE Annual Review of Fluid Mechanics
LA English
DT Review; Book Chapter
DE two-phase flow; particulate flows; vortex dynamics; stratified flow;
cloud formation and dynamics; large-eddy simulation; radiative
hydrodynamics
ID LARGE-EDDY SIMULATION; TO-CIRRUS TRANSITION; IN-SITU OBSERVATIONS;
RADIATIVE PROPERTIES; VORTEX PHASE; NUMERICAL SIMULATIONS; AIRCRAFT
WAKES; CLIMATE MODELS; ICE PARTICLES; AERODYNAMIC CONTRAILS
AB There is large uncertainty in the radiative forcing induced by aircraft contrails, particularly after they transform to cirrus. It has recently become possible to simulate contrail evolution for long periods after their formation. We review the main physical processes and simulation efforts in the four phases of contrail evolution, namely the jet, vortex, vortex dissipation, and diffusion phases. Recommendations for further work are given.
C1 [Paoli, Roberto] CERFACS, F-31057 Toulouse 01, France.
[Shariff, Karim] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA.
[Paoli, Roberto] Univ Illinois, Dept Mech & Ind Engn, Chicago, IL 60607 USA.
[Paoli, Roberto] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Paoli, R (reprint author), CERFACS, F-31057 Toulouse 01, France.; Shariff, K (reprint author), NASA, Ames Res Ctr, Moffett Field, CA 94035 USA.; Paoli, R (reprint author), Univ Illinois, Dept Mech & Ind Engn, Chicago, IL 60607 USA.; Paoli, R (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM paoli@cerfacs.fr; karim.shariff@nasa.gov
OI Shariff, Karim/0000-0002-7256-2497
NR 163
TC 4
Z9 4
U1 2
U2 14
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 0066-4189
BN 978-0-8243-0748-6
J9 ANNU REV FLUID MECH
JI Annu. Rev. Fluid Mech.
PY 2016
VL 48
BP 393
EP 427
DI 10.1146/annurev-fluid-010814-013619
PG 35
WC Mechanics; Physics, Fluids & Plasmas
SC Mechanics; Physics
GA BE1QA
UT WOS:000368367800016
ER
PT J
AU Bandrowski, A
Brush, M
Grethe, JS
Haendel, MA
Kennedy, DN
Hill, S
Hof, PR
Martone, ME
Pols, M
Tan, SC
Washington, N
Zudilova-Seinstra, E
Vasilevsky, N
AF Bandrowski, Anita
Brush, Matthew
Grethe, Jeffery S.
Haendel, Melissa A.
Kennedy, David N.
Hill, Sean
Hof, Patrick R.
Martone, Maryann E.
Pols, Maaike
Tan, Serena C.
Washington, Nicole
Zudilova-Seinstra, Elena
Vasilevsky, Nicole
CA RINL Resource Identification Initi
TI The Resource Identification Initiative: a cultural shift in publishing
SO BRAIN AND BEHAVIOR
LA English
DT Editorial Material
ID NEUROSCIENCE; ANTIBODIES; FRAMEWORK; P65
AB A central tenet in support of research reproducibility is the ability to uniquely identify research resources, that is, reagents, tools, and materials that are used to perform experiments. However, current reporting practices for research resources are insufficient to identify the exact resources that are reported or to answer basic questions such as "How did other studies use resource X?" To address this issue, the Resource Identification Initiative was launched as a pilot project to improve the reporting standards for research resources in the methods sections of papers and thereby improve identifiability and scientific reproducibility. The pilot engaged over 25 biomedical journal editors from most major publishers, as well as scientists and funding officials. Authors were asked to include Research Resource Identifiers (RRIDs) in their manuscripts prior to publication for three resource types: antibodies, model organisms, and tools (i.e., software and databases). RRIDs are assigned by an authoritative database, for example, a model organism database for each type of resource. To make it easier for authors to obtain RRIDs, resources were aggregated from the appropriate databases and their RRIDs made available in a central web portal (http://scicrunch.org/resources). RRIDs meet three key criteria: they are machine readable, free to generate and access, and are consistent across publishers and journals. The pilot was launched in February of 2014 and over 300 papers have appeared that report RRIDs. The number of journals participating has expanded from the original 25 to more than 40 with RRIDs appearing in 62 different journals to date. Here, we present an overview of the pilot project and its outcomes to date. We show that authors are able to identify resources and are supportive of the goals of the project. Identifiability of the resources post-pilot showed a dramatic improvement for all three resource types, suggesting that the project has had a significant impact on identifiability of research resources.
C1 [Bandrowski, Anita; Grethe, Jeffery S.; Martone, Maryann E.] Univ Calif San Diego, Ctr Res Biol Syst, 9500 Gillman Dr 0446, La Jolla, CA 92093 USA.
[Brush, Matthew; Haendel, Melissa A.; Vasilevsky, Nicole] Oregon Hlth & Sci Univ, OHSU Lib, Dept Med Informat & Clin Epidemiol, 3181 SW Sam Jackson Pk Rd, Portland, OR 97239 USA.
[Kennedy, David N.] Univ Massachusetts, Sch Med, Dept Psychiat, 365 Plantat St,Biotech One, Worcester, MA 01605 USA.
[Hill, Sean] Karolinska Inst, INCF, Nobels Vag 15A, S-17177 Stockholm, Sweden.
[Hof, Patrick R.] Hess CSM, Dept Neurosci, Bldg Floor 10 Room 118,1470 Madison Ave, New York, NY 10029 USA.
[Pols, Maaike] Fac 1000 Ltd, Sci Outreach Execut, Middlesex House 34-42,Cleveland St, London W1T 4LB, England.
[Tan, Serena C.] John Wiley & Sons, 11 River St, Hoboken, NJ 07030 USA.
[Washington, Nicole] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Zudilova-Seinstra, Elena] Elsevier, Radarweg 29, NL-1043 NX Amsterdam, Netherlands.
RP Bandrowski, A (reprint author), Univ Calif San Diego, Ctr Res Biol Syst, 9500 Gillman Dr 0446, La Jolla, CA 92093 USA.
OI Grethe, Jeffrey/0000-0001-5212-7052; Pols, Maaike/0000-0001-5489-4562;
Bandrowski, Anita/0000-0002-5497-0243; Vasilevsky,
Nicole/0000-0001-5208-3432
FU NIMH NIH HHS [R01 MH083320]; NINDS NIH HHS [R44 NS074540]
NR 14
TC 0
Z9 0
U1 1
U2 4
PU JOHN WILEY & SONS INC
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN, NJ 07030 USA
SN 2162-3279
J9 BRAIN BEHAV
JI Brain Behav.
PD JAN
PY 2016
VL 6
IS 1
AR e00417
DI 10.1002/brb3.417
PG 14
WC Behavioral Sciences; Neurosciences
SC Behavioral Sciences; Neurosciences & Neurology
GA DB8OV
UT WOS:000368777200002
PM 27110440
ER
PT J
AU Dang, LX
Schenter, GK
AF Dang, Liem X.
Schenter, Gregory K.
TI Solvent exchange in liquid methanol and rate theory
SO CHEMICAL PHYSICS LETTERS
LA English
DT Article
ID ACTIVATED CHEMICAL-REACTIONS; TRANSITION-STATE THEORY;
MOLECULAR-DYNAMICS; WATER-EXCHANGE; ION-PAIR; SIMULATIONS; HYDRATION
AB To enhance our understanding of the solvent exchange mechanism in liquid methanol, we report a systematic study using molecular dynamics simulations. We use transition state theory, the Impey-Madden-McDonald method, the reactive flux method, and Grote-Hynes theory to compute the rate constants for this process. Solvent coupling was found to dominate, resulting in a significantly small transmission coefficient. We predict a positive activation volume for methanol exchange. The essential features of the dynamics as well as the pressure dependence are recovered from a Generalized Langevin Equation description of the dynamics. We find that the response to anharmonicity can be decomposed into two time regimes, one corresponding to short time response (<0.1 ps) and long time response (>5 ps). An effective characterization of the process is obtained from launching dynamics from the planar hypersurface corresponding to Grote-Hynes theory, resulting in improved numerical convergence of correlation functions. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Dang, Liem X.; Schenter, Gregory K.] Pacific NW Natl Lab, Div Phys Sci, Mol Theory Grp, Richland, WA 99352 USA.
RP Dang, LX (reprint author), Pacific NW Natl Lab, Div Phys Sci, Mol Theory Grp, Richland, WA 99352 USA.
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences
FX This work was supported by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, Division of Chemical Sciences,
Geosciences, and Biosciences. The calculations were carried out using
computer resources provided by the Office of Basic Energy Sciences.
Discussions with Chris Mundy have enhanced this work. References
NR 26
TC 0
Z9 0
U1 4
U2 9
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 2016
VL 643
BP 142
EP 148
DI 10.1016/j.cplett.2015.10.045
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA DB1JK
UT WOS:000368264300009
ER
PT J
AU Yang, WL
Qiao, RM
AF Yang, Wanli
Qiao, Ruimin
TI Soft x-ray spectroscopy for probing electronic and chemical states of
battery materials
SO CHINESE PHYSICS B
LA English
DT Review
DE soft x-ray spectroscopy; batteries; solid-electrolyte-interphase;
electronic structure
ID LITHIUM-ION BATTERIES; TRANSITION-METAL COMPOUNDS; LI-ION;
HIGH-CAPACITY; NEGATIVE ELECTRODE; SPIN STATES; IN-SITU; LITHIATION;
ANODES; ABSORPTION
AB The formidable challenge of developing high-performance battery system stems from the complication of battery operations, both mechanically and electronically. In the electrodes and at the electrode-electrolyte interfaces, chemical reactions take place with evolving electron states. In addition to the extensive studies of material synthesis, electrochemical, structural, and mechanical properties, soft x-ray spectroscopy provides unique opportunities for revealing the critical electron states in batteries. This review discusses some of the recent soft x-ray spectroscopic results on battery binder, transition-metal based positive electrodes, and the solid-electrolyte-interphase. By virtue of soft x-ray's sensitivity to electron states, the electronic property, the redox during electrochemical operations, and the chemical species of the interphases could be fingerprinted by soft x-ray spectroscopy. Understanding and innovating battery technologies need a multimodal approach, and soft x-ray spectroscopy is one of the incisive tools to probe the chemical and physical evolutions in batteries.
C1 [Yang, Wanli; Qiao, Ruimin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Yang, WL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
EM wlyang@lbl.gov
RI Qiao, Ruimin/E-9023-2013; Yang, Wanli/D-7183-2011
OI Yang, Wanli/0000-0003-0666-8063
FU Director, Office of Science, Office of Basic Energy Sciences, of the
U.S. Department of Energy [DE-AC02-05CH11231]; LDRD program at the
Lawrence Berkeley National Laboratory
FX Works reviewed here are achieved through broad international
collaborations. In particular, we would like to thank J. H. Guo, Y. D.
Chuang, G. Liu, L. W. Wang, J. Liu, T. J. Richardson, I. T. Lucas, R.
Kostecki, T. Chin, and S. J. Harris at Berkeley, Y. S. Hu and H. Li at
the Institute of Physics of Chinese Academy of Sciences. 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. Ruimin Qiao is supported by the LDRD program at
the Lawrence Berkeley National Laboratory.
NR 60
TC 2
Z9 2
U1 12
U2 40
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 1674-1056
EI 1741-4199
J9 CHINESE PHYS B
JI Chin. Phys. B
PD JAN
PY 2016
VL 25
IS 1
AR 017104
DI 10.1088/1674-1056/25/1/017104
PG 9
WC Physics, Multidisciplinary
SC Physics
GA DB4AM
UT WOS:000368455100067
ER
PT J
AU Yu, X
Hu, E
Bak, S
Zhou, YN
Yang, XQ
AF Yu, Xiqian
Hu, Enyuan
Bak, Seongmin
Zhou, Yong-Ning
Yang, Xiao-Qing
TI Strategies to curb structural changes of lithium/transition metal oxide
cathode materials & the changes' effects on thermal & cycling stability
SO CHINESE PHYSICS B
LA English
DT Review
DE thermal stability; cathode; oxide; lithium ion batteries; safety
ID LITHIUM-ION BATTERIES; X-RAY-DIFFRACTION; ACCELERATING RATE CALORIMETRY;
LI-ION; ELECTROCHEMICAL PROPERTIES; INTERCALATED GRAPHITE; ELECTRODE
MATERIALS; INSERTION MATERIAL; MASS-SPECTROSCOPY; MANGANESE-OXIDE
AB Structural transformation behaviors of several typical oxide cathode materials during a heating process are reviewed in detail to provide in-depth understanding of the key factors governing the thermal stability of these materials. We also discuss applying the information about heat induced structural evolution in the study of electrochemically induced structural changes. All these discussions are expected to provide valuable insights for designing oxide cathode materials with significantly improved structural stability for safe, long-life lithium ion batteries, as the safety of lithium-ion batteries is a critical issue; it is widely accepted that the thermal instability of the cathodes is one of the most critical factors in thermal runaway and related safety problems.
C1 [Yu, Xiqian; Hu, Enyuan; Bak, Seongmin; Zhou, Yong-Ning; Yang, Xiao-Qing] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
RP Yang, XQ (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
EM xyang@bnl.gov
RI Hu, Enyuan/D-7492-2016; Yu, Xiqian/B-5574-2014; Bak, Seong
Min/J-4597-2013;
OI Hu, Enyuan/0000-0002-1881-4534; Yu, Xiqian/0000-0001-8513-518X; Bak,
Seong-Min/0000-0002-1626-5949
FU U.S. Department of Energy, the Assistant Secretary for Energy Efficiency
and Renewable Energy, Office of Vehicle Technologies [DE-SC0012704]
FX Project supported by the U.S. Department of Energy, the Assistant
Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle
Technologies (Grant No. DE-SC0012704).
NR 70
TC 2
Z9 2
U1 18
U2 61
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 1674-1056
EI 1741-4199
J9 CHINESE PHYS B
JI Chin. Phys. B
PD JAN
PY 2016
VL 25
IS 1
AR 018205
DI 10.1088/1674-1056/25/1/018205
PG 10
WC Physics, Multidisciplinary
SC Physics
GA DB4AM
UT WOS:000368455100084
ER
PT J
AU Rubin, A
Cooper, KM
Leever, M
Wimpenny, J
Deering, C
Rooney, T
Gravley, D
Yin, QZ
AF Rubin, Allison
Cooper, Kari M.
Leever, Marissa
Wimpenny, Josh
Deering, Chad
Rooney, Tyrone
Gravley, Darren
Yin, Qing-zhu
TI Changes in magma storage conditions following caldera collapse at
Okataina Volcanic Center, New Zealand
SO CONTRIBUTIONS TO MINERALOGY AND PETROLOGY
LA English
DT Article
DE Rhyolite; Taupo Volcanic Zone; Hf isotope; Zircon; Th-230-U-238
ID MODEL-AGE SPECTRA; ROTOITI ERUPTION; SILICIC MAGMA; U-TH; YELLOWSTONE
CALDERA; LONG VALLEY; HALF-LIVES; TAUPO; ZIRCON; ZONE
AB Large silicic volcanic centers produce both small rhyolitic eruptions and catastrophic caldera-forming eruptions. Although changes in trace element and isotopic compositions within eruptions following caldera collapse have been observed at rhyolitic volcanic centers such as Yellowstone and Long Valley, much still remains unknown about the ways in which magma reservoirs are affected by caldera collapse. We present U-238-Th-230 age, trace element, and Hf isotopic data from individual zircon crystals from four eruptions from the Okataina Volcanic Center, Taupo Volcanic Zone, New Zealand, in order to assess changes in trace element and isotopic composition of the reservoir following the 45-ka caldera-forming Rotoiti eruption. Our data indicate that (1) mixing of magmas derived from crustal melts and mantle melts takes place within the shallow reservoir; (2) while the basic processes of melt generation likely did not change significantly between pre- and post-caldera rhyolites, post-caldera zircons show increased trace element and isotopic heterogeneity that suggests a decrease in the degree of interconnectedness of the liquid within the reservoir following collapse; and (3) post-caldera eruptions from different vents indicate different storage times of the amalgamated melt prior to eruption. These data further suggest that the timescales needed to generate large volumes of eruptible melt may depend on the timescales needed to increase interconnectedness and achieve widespread homogenization throughout the reservoir.
C1 [Rubin, Allison; Cooper, Kari M.; Yin, Qing-zhu] Univ Calif Davis, Dept Earth & Planetary Sci, Davis, CA 95616 USA.
[Leever, Marissa; Wimpenny, Josh] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Deering, Chad] Michigan Technol Univ, Dept Geol & Min Engn & Sci, Houghton, MI 49931 USA.
[Rooney, Tyrone] Michigan State Univ, Dept Geol Sci, E Lansing, MI 48824 USA.
[Gravley, Darren] Univ Canterbury, Dept Geol Sci, Christchurch 1, New Zealand.
RP Rubin, A (reprint author), Univ Calif Davis, Dept Earth & Planetary Sci, Davis, CA 95616 USA.
EM aerubin@ucdavis.edu
RI Rooney, Tyrone/B-4594-2010
FU National Science Foundation [EAR-0738749, EAR-1144945]; UC Davis;
Geological Society of America
FX This work was partially supported by National Science Foundation awards
EAR-0738749 and EAR-1144945 to Kari Cooper, as well as by Durrell
research grants from UC Davis and a Geological Society of America
graduate student research grant to AER. We would also like to thank
Jorge Vazquez and Matt Coble for their assistance on the SHRIMP-RG at
the USGS/Stanford University facility, as well as Justin Glessner for
his assistance with multicollector ICP-MS analyses and Mark Stelten for
his valuable insights and help with sample preparation.
NR 63
TC 0
Z9 0
U1 3
U2 6
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0010-7999
EI 1432-0967
J9 CONTRIB MINERAL PETR
JI Contrib. Mineral. Petrol.
PD JAN
PY 2016
VL 171
IS 1
AR 4
DI 10.1007/s00410-015-1216-6
PG 18
WC Geochemistry & Geophysics; Mineralogy
SC Geochemistry & Geophysics; Mineralogy
GA DB7NO
UT WOS:000368702600004
ER
PT J
AU Ono, FB
Tappero, R
Sparks, D
Guilherme, LRG
AF Ono, F. B.
Tappero, R.
Sparks, D.
Guilherme, L. R. G.
TI Investigation of arsenic species in tailings and windblown dust from a
gold mining area
SO ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
LA English
DT Article
DE Trace elements; Arsenic speciation; Bioaccessibility; Micro-XANES; Air
particulates; Environmental pollution
ID RAY-ABSORPTION SPECTROSCOPY; CHROMATE RETENTION MECHANISMS; HEALTH-RISK
ASSESSMENT; MINE TAILINGS; IRON QUADRANGLE; SOILS; SPECIATION; BRAZIL;
BIOACCESSIBILITY; BIOAVAILABILITY
AB Research has shown the presence of high levels of arsenic (up to 2666 mg As kg(-1)) in tailings from a gold mining area of Brazil. This is an important point of attention, generating concerns about impacts on human health. Yet, a recent study showed that As bioaccessibility in the same area was very low (< 4.4 %). Thus, determination of the direct solid-phase speciation of As in the mine tailings and windblown dust is needed to explain this low bioaccessibility. Mine samples were collected from four subareas and windblown dust from eight sites. Synchrotron-based bulk-X-ray absorption near-edge structure (bulk-XANES) spectroscopy, micro-X-ray absorption near-edge structure (mu-XANES), and mu-X-ray fluorescence (mu-SXRF) spectroscopy were applied to determine As speciation. Bulk-XANES spectra indicated that As occurs as the As(V) oxidation state. Micro-XANES and mu-SXRF analyses revealed that As was also present as arsenopyrite (FeAsS) and its weathering products, but mostly it was As(V) as poorly crystalline ferric arsenate. This supports the findings of low bioaccessible As and highlights the importance of Fe oxides in immobilizing As in the terrestrial environment. All air particulate samples exhibited As-rich particles (up to 313 mg As kg(-1)). The air particulates exhibited solid-phase As species very similar to those found in the mine samples, which indicates that As in the windblown dust is not easily available.
C1 [Ono, F. B.; Guilherme, L. R. G.] Univ Fed Lavras, Dept Soil Sci, BR-37200000 Lavras, MG, Brazil.
[Tappero, R.] Brookhaven Natl Lab, Natl Synchrotron Light Source, Photon Sci, Beamline X27A, Upton, NY 11973 USA.
[Sparks, D.] Univ Delaware, Delaware Environm Inst, Interdisciplinary Sci & Engn Lab, Newark, DE 19716 USA.
RP Guilherme, LRG (reprint author), Univ Fed Lavras, Dept Soil Sci, CP 3037,Campus UFLA, BR-37200000 Lavras, MG, Brazil.
EM guilherm@dcs.ufla.br
FU CNPq; CAPES; FAPEMIG, Brazil; LNLS/ABTLuS/MCT [11781]; U.S. Department
of Energy, Office of Science, Office of Basic Energy Sciences; U.S.
Department of Energy-Geosciences [DE-FG02-92ER14244]; University of
Delaware
FX We gratefully acknowledge funding received from CNPq, CAPES, and
FAPEMIG, Brazil. We acknowledge the Brazilian Synchrotron Light
Laboratory-LNLS technical, scientific, and administrative staff for
assisting with the bulk-XAS analysis (project 11781, supported by
LNLS/ABTLuS/MCT). Use of the National Synchrotron Light Source (NSLS),
Brookhaven National Laboratory, was supported by the U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences. Beamline
X27A at NSLS is supported in part by the U.S. Department of
Energy-Geosciences (DE-FG02-92ER14244 to The University of
Chicago-CARS). We would like to thank the Delaware Environmental
Institute (DENIN) and Environmental Soil Chemistry research group of the
University of Delaware, especially Cecily Moyer and Matt Siebecker for
their assistance during the experimental analyses. Fabio Ono appreciates
the Sandwich Doctorate fellowship for this work funded by Capes, and
also the support of the University of Delaware.
NR 44
TC 1
Z9 1
U1 6
U2 30
PU SPRINGER HEIDELBERG
PI HEIDELBERG
PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY
SN 0944-1344
EI 1614-7499
J9 ENVIRON SCI POLLUT R
JI Environ. Sci. Pollut. Res.
PD JAN
PY 2016
VL 23
IS 1
BP 638
EP 647
DI 10.1007/s11356-015-5304-y
PG 10
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA DB0LJ
UT WOS:000368199300061
PM 26330325
ER
PT S
AU Kramer, S
Laing, J
Bosiljevec, T
Gearhart, J
Boyce, B
AF Kramer, Sharlotte
Laing, John
Bosiljevec, Thomas
Gearhart, Jhana
Boyce, Brad
BE Beese, AM
Zehnder, AT
Xia, S
TI V-Notched Rail Test for Shear-Dominated Deformation of Ti-6Al-4V
SO FRACTURE, FATIGUE, FAILURE AND DAMAGE EVOLUTION, VOL 8
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT Annual Conference and Exposition of the
Society-for-Experimental-Mechanics on Experimental and Applied Mechanics
CY JUN 08-11, 2015
CL Costa Mesa, CA
SP Soc Expt Mech
DE Shear; Failure; Metals; Mechanical properties; Model calibration
ID DUCTILE FRACTURE; GURSON MODEL; FAILURE
AB Evermore sophisticated ductile plasticity and failure models demand experimental material characterization of shear behavior; yet, the mechanics community lacks a widely accepted, standard test method for shear-dominated deformation and failure of ductile metals. We investigated the use of the V-notched rail test, borrowed from the ASTM D7078 standard for shear testing of composites, for shear testing of Ti-6Al-4V titanium alloy sheet material, considering sheet rolling direction and quasi-static and transient load rates. In this paper, we discuss practical aspects of testing, modifications to the specimen geometry, and the experimental shear behavior of Ti-6Al-4V. Specimen installation, machine compliance, specimen-grip slip during testing, and specimen V-notched geometry all influenced the measured specimen behavior such that repeatable shear-dominated behavior was initially difficult to obtain. We will discuss the careful experimental procedure and set of measurements necessary to extract meaningful shear information for Ti-6Al-4V. We also evaluate the merits and deficiencies, including practicality of testing for engineering applications and quality of results, of the V-notched rail test for characterization of ductile shear behavior.
C1 [Kramer, Sharlotte; Laing, John; Bosiljevec, Thomas; Gearhart, Jhana; Boyce, Brad] Sandia Natl Labs, 1515 Eubank SE, Albuquerque, NM 87123 USA.
RP Kramer, S (reprint author), Sandia Natl Labs, 1515 Eubank SE, Albuquerque, NM 87123 USA.
EM slkrame@sandia.gov
NR 11
TC 0
Z9 0
U1 0
U2 4
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-21611-9; 978-3-319-21610-2
J9 C PROC SOC EXP MECH
PY 2016
VL 8
BP 51
EP 60
DI 10.1007/978-3-319-21611-9_7
PG 10
WC Mechanics
SC Mechanics
GA BE1TF
UT WOS:000368505900007
ER
PT J
AU Gazis, R
Kuo, A
Riley, R
Labutti, K
Lipzen, A
Lin, JY
Amirebrahimi, M
Hesse, CN
Spatafora, JW
Henrissat, B
Hainaut, M
Grigoriev, IV
Hibbett, DS
AF Gazis, Romina
Kuo, Alan
Riley, Robert
Labutti, Kurt
Lipzen, Anna
Lin, Junyan
Amirebrahimi, Mojgan
Hesse, Cedar N.
Spatafora, Joseph W.
Henrissat, Bernard
Hainaut, Matthieu
Grigoriev, Igor V.
Hibbett, David S.
TI The genome of Xylona heveae provides a window into fungal endophytism
SO FUNGAL BIOLOGY
LA English
DT Article
DE CAZymes; Glycoside hydrolases; Horizontally transmitted endophytes;
Sapwood endophytes; Symbiotaphrina; Trinosporium
ID PLANT-PATHOGENIC FUNGI; SECONDARY METABOLISM; FILAMENTOUS FUNGI; DECAY
MECHANISMS; NATURAL-PRODUCTS; HOST PREFERENCE; LIFE-STYLE; TRANSPORTERS;
DIVERSITY; PROTEIN
AB Xylona heveae has only been isolated as an endophyte of rubber trees. In an effort to understand the genetic basis of endophytism, we compared the genome contents of X. heveae and 36 other Ascomycota with diverse lifestyles and nutritional modes. We focused on genes that are known to be important in the host fungus interaction interface and that presumably have a role in determining the lifestyle of a fungus. We used phylogenomic data to infer the higher-level phylogenetic position of the Xylonomycetes, and mined ITS sequences to explore its taxonomic and ecological diversity. The X. heveae genome contains a low number of enzymes needed for plant cell wall degradation, suggesting that Xylona is a highly adapted specialist and likely dependent on its host for survival. The reduced repertoire of carbohydrate active enzymes could reflect an adaptation to intercellulary growth and to the avoidance of the host's immune system, suggesting that Xylona has a strictly endophytic lifestyle. Phylogenomic data resolved the position of Xylonomycetes as sister to Lecanoromycetes and Eurotiomycetes and placed the beetle-endosymbiont Symbiotaphrina as a member of this class. ITS data revealed that Trinosporium is also part of the Xylonomycetes, extending the taxonomic and ecological diversity of this group. (C) 2015 The British Mycological Society. Published by Elsevier Ltd. All rights reserved.
C1 [Gazis, Romina; Hibbett, David S.] Clark Univ, Dept Biol, 950 Main St, Worcester, MA 01610 USA.
[Kuo, Alan; Riley, Robert; Labutti, Kurt; Lipzen, Anna; Lin, Junyan; Amirebrahimi, Mojgan; Grigoriev, Igor V.] US DOE, Joint Genome Inst, 2800 Mitchell Dr, Walnut Creek, CA 94598 USA.
[Hesse, Cedar N.; Spatafora, Joseph W.] Oregon State Univ, Dept Bot & Plant Pathol, Corvallis, OR 97331 USA.
[Hesse, Cedar N.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Henrissat, Bernard; Hainaut, Matthieu] Aix Marseille Univ, CNRS, UMR 7257, Marseille, France.
[Henrissat, Bernard] Aix Marseille Univ, Architecture & Fonct Macromol Biol, F-13288 Marseille 9, France.
[Henrissat, Bernard] King Abdulaziz Univ, Dept Biol Sci, Jeddah 21589, Saudi Arabia.
RP Gazis, R (reprint author), Clark Univ, Dept Biol, 950 Main St, Worcester, MA 01610 USA.
EM rgazis@clarku.edu
RI Fac Sci, KAU, Biol Sci Dept/L-4228-2013
FU NSF [DEB-12008809]; Office of Science of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX We are grateful to Betsy Arnold and Kayla Arendt for providing a pure
culture of X. heveae. We thank Daniele Armaleo, Gohn Glanden, Paul Dyer
and Christopher Schardl for granting us permission to use genomic data
from C. grayi, xylariaceous endophytes, X. parietina and E. festucae,
respectively. We also thank Pedro Crous and Cony Decock for providing a
culture of T. guianense in addition to collection data and to Dimitrios
Floudas and Laszlo Nagy for their very helpful comments on this article.
R. Gazis worked on this article while a postdoctoral fellow in the Open
Tree of Life project, supported by the NSF (Grant # DEB-12008809). The
work conducted by the U.S. Department of Energy Joint Genome Institute
is supported by the Office of Science of the U.S. Department of Energy
under Contract No. DE-AC02-05CH11231.
NR 92
TC 2
Z9 2
U1 7
U2 22
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 1878-6146
EI 1878-6162
J9 FUNGAL BIOL-UK
JI Fungal Biol.
PD JAN
PY 2016
VL 120
IS 1
BP 26
EP 42
DI 10.1016/j.funbio.2015.10.002
PG 17
WC Mycology
SC Mycology
GA DB8GC
UT WOS:000368754200002
PM 26693682
ER
PT J
AU Maheshwari, K
Jung, ES
Meng, JY
Morozov, V
Vishwanath, V
Kettimuthu, R
AF Maheshwari, Ketan
Jung, Eun-Sung
Meng, Jiayuan
Morozov, Vitali
Vishwanath, Venkatram
Kettimuthu, Rajkumar
TI Workflow performance improvement using model-based scheduling over
multiple clusters and clouds
SO FUTURE GENERATION COMPUTER SYSTEMS-THE INTERNATIONAL JOURNAL OF ESCIENCE
LA English
DT Article
DE System modeling; Workflow; Optimization; Swift; Clouds
ID ENVIRONMENT; MANAGEMENT; SYSTEM
AB In recent years, a variety of computational sites and resources have emerged, and users often have access to multiple resources that are distributed. These sites are heterogeneous in nature and performance of different tasks in a workflow varies from one site to another. Additionally, users typically have a limited resource allocation at each site capped by administrative policies. In such cases, judicious scheduling strategy is required in order to map tasks in the workflow to resources so that the workload is balanced among sites and the overhead is minimized in data transfer. Most existing systems either run the entire workflow in a single site or use naive approaches to distribute the tasks across sites or leave it to the user to optimize the allocation of tasks to distributed resources. This results in a significant loss in productivity. We propose a multi-site workflow scheduling technique that uses performance models to predict the execution time on resources and dynamic probes to identify the achievable network throughput between sites. We evaluate our approach using real world applications using the Swift parallel and distributed execution framework. We use two distinct computational environments-geographically distributed multiple clusters and multiple clouds. We show that our approach improves the resource utilization and reduces execution time when compared to the default schedule. (c) 2015 Elsevier B.V. All rights reserved.
C1 [Maheshwari, Ketan; Jung, Eun-Sung; Kettimuthu, Rajkumar] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA.
[Meng, Jiayuan; Morozov, Vitali; Vishwanath, Venkatram] Argonne Natl Lab, Leadership Comp Facil Div, Argonne, IL 60439 USA.
RP Maheshwari, K (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM ketan@anl.gov; esjung@mcs.anl.gov; meng.jiayuan@gmail.com;
morozov@anl.gov; venkatv@mcs.anl.gov; kettimut@mcs.anl.gov
FU US Department of Energy, Office of Science, Advanced Scientific
Computing Research; RAMSES project [DE-AC02-06CH11357]
FX We thank Gail Pieper of Argonne for proofreading help. This work was
supported in part by the US Department of Energy, Office of Science,
Advanced Scientific Computing Research, and the RAMSES project under
Contract DE-AC02-06CH11357.
NR 40
TC 2
Z9 2
U1 1
U2 10
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0167-739X
EI 1872-7115
J9 FUTURE GENER COMP SY
JI Futur. Gener. Comp. Syst.
PD JAN
PY 2016
VL 54
BP 206
EP 218
DI 10.1016/j.future.2015.03.017
PG 13
WC Computer Science, Theory & Methods
SC Computer Science
GA DB3AZ
UT WOS:000368383200016
ER
PT J
AU Whitfield, RE
Goossens, DJ
Welberry, TR
AF Whitfield, Ross E.
Goossens, Darren J.
Welberry, T. Richard
TI Total scattering and pair distribution function analysis in modelling
disorder in PZN (PbZn1/3Nb2/3O3)
SO IUCRJ
LA English
DT Article
DE total scattering; pair distribution function analysis; modelling
disorder; PZN; single-crystal diffuse scattering
ID DIFFUSE-SCATTERING; RELAXOR FERROELECTRICS; POWDER DIFFRACTOMETER;
MONTE-CARLO; PROGRAM; PEROVSKITES; SIMULATION
AB The ability of the pair distribution function (PDF) analysis of total scattering (TS) from a powder to determine the local ordering in ferroelectric PZN (PbZn1/3Nb2/3O3) has been explored by comparison with a model established using single-crystal diffuse scattering (SCDS). While X-ray PDF analysis is discussed, the focus is on neutron diffraction results because of the greater extent of the data and the sensitivity of the neutron to oxygen atoms, the behaviour of which is important in PZN. The PDF was shown to be sensitive to many effects not apparent in the average crystal structure, including variations in the B-site-O separation distances and the fact that < 110 > Pb2+ displacements are most likely. A qualitative comparison between SCDS and the PDF shows that some features apparent in SCDS were not apparent in the PDF. These tended to pertain to short-range correlations in the structure, rather than to interatomic separations. For example, in SCDS the short-range alternation of the B-site cations was quite apparent in diffuse scattering at (1/2 1/ 2 1/ 2), whereas it was not apparent in the PDF.
C1 [Whitfield, Ross E.; Goossens, Darren J.; Welberry, T. Richard] Australian Natl Univ, Res Sch Chem, GPO Box 4, Canberra, ACT 0200, Australia.
[Whitfield, Ross E.] Oak Ridge Natl Lab, Neutron Data Anal & Visualizat, Oak Ridge, TN 37831 USA.
[Goossens, Darren J.] Univ New S Wales, Sch Phys Environm & Math Sci, Canberra, ACT 2600, Australia.
RP Whitfield, RE (reprint author), Australian Natl Univ, Res Sch Chem, GPO Box 4, Canberra, ACT 0200, Australia.; Whitfield, RE (reprint author), Oak Ridge Natl Lab, Neutron Data Anal & Visualizat, Oak Ridge, TN 37831 USA.
EM whitfieldre@ornl.gov
RI Welberry, Thomas/H-7847-2014;
OI Welberry, Thomas/0000-0002-6906-9191; Whitfield,
Ross/0000-0002-9852-1044
FU Australian Institute of Nuclear Science and Engineering; Australian
Research Council; NCI National Facility at the ANU; US Department of
Energy Office of Basic Energy Sciences; DOE [DE-AC52-06NA25396]; US DOE,
Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357];
Scientific User Facilities Division, Office of Basic Energy Sciences, US
DOE
FX DJG and REW gratefully acknowledge the support of the Australian
Institute of Nuclear Science and Engineering. The support of the
Australian Research Council and the NCI National Facility at the ANU is
also gratefully acknowledged. This work has benefitted from the use of
the NPDF instrument at the Lujan Center, Los Alamos Neutron Science
Center, funded by the US Department of Energy Office of Basic Energy
Sciences. Los Alamos National Laboratory is operated by Los Alamos
National Security LLC under DOE Contract No. DE-AC52-06NA25396. Use of
the Advanced Photon Source was supported by the US DOE, Office of
Science, Office of Basic Energy Sciences, under Contract No.
DE-AC02-06CH11357. Part of this research was sponsored by the Scientific
User Facilities Division, Office of Basic Energy Sciences, US DOE.
NR 37
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U1 2
U2 12
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 2052-2525
J9 IUCRJ
JI IUCrJ
PD JAN
PY 2016
VL 3
BP 20
EP 31
DI 10.1107/S2052252515018722
PN 1
PG 12
WC Chemistry, Multidisciplinary; Crystallography; Materials Science,
Multidisciplinary
SC Chemistry; Crystallography; Materials Science
GA DB5YV
UT WOS:000368590900005
PM 26870378
ER
PT J
AU Swift, TD
Nguyen, H
Erdman, Z
Kruger, JS
Nikolakis, V
Vlachos, DG
AF Swift, T. Dallas
Nguyen, Hannah
Erdman, Zachary
Kruger, Jacob S.
Nikolakis, Vladimiros
Vlachos, Dionisios G.
TI Tandem Lewis acid/Bronsted acid-catalyzed conversion of carbohydrates to
5-hydroxymethylfurfural using zeolite beta
SO JOURNAL OF CATALYSIS
LA English
DT Article
DE Tandem reactions; Biomass; Glucose; Fructose; HMF; Isomerization;
Dehydration; Reaction kinetics; Zeolites
ID PHASE FRUCTOSE DEHYDRATION; SOLID-ACID; LEVULINIC ACID; SN-BETA;
ADSORPTION; GLUCOSE; EFFICIENT; KINETICS; ISOMERIZATION; SOLVENT
AB We conduct a combined experimental and computational study to reveal the kinetics of tandem glucose isomerization and fructose dehydration to 5-hydroxymethylfurfural (HMF) over a bifunctional zeolite H-BEA-25 in water. The model accounts for multicomponent adsorption, homogeneous Bronsted acid catalyzed chemistry of fructose, intrinsic heterogeneous Lewis acid catalyzed isomerization, Bronsted acid catalyzed fructose dehydration, HMF rehydration, and humin formation chemistry. The octahedrally coordinated extra-framework Al sites catalyze glucose to fructose isomerization effectively. The activation energy for the isomerization in H-BEA-25 is between those reported for Ti-BEA and Sn-BEA. We reveal that tandem reactions exhibit multiple kinetic regimes. When a bifunctional catalyst with a fixed total number of acid sites is used (e.g., aluminosilicate zeolites), the HMF formation rate exhibits a volcano type curve vs. the Lewis to Bronsted acid site ratio. On the other hand, when the two types of sites are varied independently (e.g., in Sn-BEA and HCl), the HMF formation rate increases and then approaches a plateau with increasing Bronsted acid site density. These appear to be generic features of tandem reactions catalyzed by multiple or multifunctional catalysts. We show that materials with stronger sugar adsorption would produce HMF in significantly higher yields and higher rate than H-BEA. When HMF degradation reactions are suppressed, a ratio of Lewis to Bronsted acid sites of similar to 0.3 maximizes the HMF rate produced from glucose and the HMF yield (which is predicted to be similar to 60% at 130 degrees C). These predictions provide a framework for understanding and improving tandem reactions catalyzed by heterogeneous catalysts. (C) 2015 Elsevier Inc. All rights reserved.
C1 [Swift, T. Dallas; Nguyen, Hannah; Kruger, Jacob S.; Nikolakis, Vladimiros; Vlachos, Dionisios G.] Univ Delaware, Catalysis Ctr Energy Innovat, Dept Chem & Biomol Engn, 221 Acad St, Newark, DE 19716 USA.
[Erdman, Zachary] Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA.
[Kruger, Jacob S.] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
RP Nikolakis, V; Vlachos, DG (reprint author), Univ Delaware, Catalysis Ctr Energy Innovat, Dept Chem & Biomol Engn, 221 Acad St, Newark, DE 19716 USA.
EM vlad@udel.edu; vlachos@udel.edu
OI Vlachos, Dionisios/0000-0002-6795-8403
FU Catalysis Center for Energy Innovation, an Energy Frontier Research
Center - US Dept. of Energy, Office of Science, Office of Basic Energy
Sciences [DE-SC0001004]
FX This work was supported as part of the Catalysis Center for Energy
Innovation, an Energy Frontier Research Center funded by the US Dept. of
Energy, Office of Science, Office of Basic Energy Sciences under award
number DE-SC0001004. We would also like to acknowledge fruitful
discussions with Prof. Ray Gorte. We would also like to thank Dr.
Guangjin Hou for assistance with the 27Al NMR analysis and
Brian Murphy for his help with the in situ FTIR adsorption experiments.
NR 59
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U1 41
U2 124
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 2016
VL 333
BP 149
EP 161
DI 10.1016/j.jcat.2015.10.009
PG 13
WC Chemistry, Physical; Engineering, Chemical
SC Chemistry; Engineering
GA DB5QM
UT WOS:000368568700015
ER
PT J
AU Posselt, DJ
Fryxell, B
Molod, A
Williams, B
AF Posselt, Derek J.
Fryxell, Bruce
Molod, Andrea
Williams, Brian
TI Quantitative Sensitivity Analysis of Physical Parameterizations for
Cases of Deep Convection in the NASA GEOS-5
SO JOURNAL OF CLIMATE
LA English
DT Article
ID SOUTH CHINA SEA; ATMOSPHERE RESPONSE EXPERIMENT; SUMMER MONSOON
PRECIPITATION; GENERAL-CIRCULATION MODELS; SIMULATED RADAR DATA; ROOT
KALMAN FILTER; TOGA-COARE; MICROPHYSICAL PARAMETERS; SINGLE-COLUMN;
CLIMATE MODEL
AB Parameterization of processes that occur on length scales too small to resolve on a computational grid is a major source of uncertainty in global climate models. This study investigates the relative importance of a number of parameters used in the Goddard Earth Observing System Model, version 5 (GEOS-5), atmospheric general circulation model, focusing on cloud, convection, and boundary layer parameterizations. Latin hypercube sampling is used to generate a few hundred sets of 19 candidate physics parameters, which are subsequently used to generate ensembles of single-column model realizations of cloud content, precipitation, and radiative fluxes for four different field campaigns. A Gaussian process model is then used to create a computationally inexpensive emulator for the simulation code that can be used to determine a measure of relative parameter sensitivity by sampling the response surface for a very large number of input parameter sets. Parameter sensitivities are computed for different geographic locations and seasons to determine whether the intrinsic sensitivity of the model parameterizations changes with season and location. The results indicate the same subset of parameters collectively control the model output across all experiments, independent of changes in the environment. These are the threshold relative humidity for cloud formation, the ice fall speeds, convective and large-scale autoconversion, deep convection relaxation time scale, maximum convective updraft diameter, and minimum ice effective radius. However, there are differences in the degree of parameter sensitivity between continental and tropical convective cases, as well as systematic changes in the degree of parameter influence and parameter-parameter interaction.
C1 [Posselt, Derek J.; Fryxell, Bruce] Univ Michigan, Ann Arbor, MI 48109 USA.
[Molod, Andrea] Univ Maryland, College Pk, MD 20742 USA.
[Williams, Brian] Los Alamos Natl Lab, Los Alamos, NM USA.
RP Posselt, DJ (reprint author), Univ Michigan, Dept Atmospher Ocean & Space Sci, 2455 Hayward St, Ann Arbor, MI 48109 USA.
EM dposselt@umich.edu
OI Williams, Brian/0000-0002-3465-4972
FU NASA Modeling Analysis and Prediction Grant [NNX09AJ43G]
FX This work was supported by NASA Modeling Analysis and Prediction Grant
NNX09AJ43G. The comments of two external reviewers were instrumental in
helping us to focus the analysis and clarify the presentation.
Simulations were run on NASA's Advanced Supercomputing Pleiades machine.
NR 92
TC 0
Z9 0
U1 6
U2 17
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 2016
VL 29
IS 2
BP 455
EP 479
DI 10.1175/JCLI-D-15-0250.1
PG 25
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA DB6OC
UT WOS:000368633300002
ER
PT J
AU Caldwell, PM
Zelinka, MD
Taylor, KE
Marvel, K
AF Caldwell, Peter M.
Zelinka, Mark D.
Taylor, Karl E.
Marvel, Kate
TI Quantifying the Sources of Intermodel Spread in Equilibrium Climate
Sensitivity
SO JOURNAL OF CLIMATE
LA English
DT Article
DE Physical Meteorology and Climatology; Climate sensitivity; Feedback;
Forcing; Mathematical and statistical techniques; Statistics; Models and
modeling; Climate models
ID RADIATIVE KERNEL TECHNIQUE; OCEAN-ATMOSPHERE MODELS; FEEDBACK;
DEPENDENCE; CLOUDS; ECMWF; CO2
AB This study clarifies the causes of intermodel differences in the global-average temperature response to doubled CO2, commonly known as equilibrium climate sensitivity (ECS). The authors begin by noting several issues with the standard approach for decomposing ECS into a sum of forcing and feedback terms. This leads to a derivation of an alternative method based on linearizing the effect of the net feedback. Consistent with previous studies, the new method identifies shortwave cloud feedback as the dominant source of intermodel spread in ECS. This new approach also reveals that covariances between cloud feedback and forcing, between lapse rate and longwave cloud feedbacks, and between albedo and shortwave cloud feedbacks play an important and previously underappreciated role in determining model differences in ECS. Defining feedbacks based on fixed relative rather than specific humidity (as suggested by Held and Shell) reduces the covariances between processes and leads to more straightforward interpretations of results.
C1 [Caldwell, Peter M.; Zelinka, Mark D.; Taylor, Karl E.; Marvel, Kate] Lawrence Livermore Natl Lab, L-103,POB 808, Livermore, CA 94566 USA.
[Marvel, Kate] NASA, Goddard Inst Space Studies, New York, NY 10025 USA.
RP Caldwell, PM (reprint author), Lawrence Livermore Natl Lab, L-103,POB 808, Livermore, CA 94566 USA.
EM caldwell19@llnl.gov
RI Taylor, Karl/F-7290-2011; Zelinka, Mark/C-4627-2011
OI Taylor, Karl/0000-0002-6491-2135; Zelinka, Mark/0000-0002-6570-5445
FU Office of Science (BER) at Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; BER's Regional and Global Climate Modeling (RGCM)
Program
FX We would like to acknowledge the modeling groups [the Program for
Climate Model Diagnosis and Intercomparison (PCMDI) and the World
Climate Research Programme's Working Group on Coupled Modelling] for
their roles in making available the CMIP5 multimodel dataset. Thanks
also go to Thomas Reichler for making his WMO tropopause code publicly
available. Support for these datasets is provided by the U.S. Department
of Energy (DOE) Office of Science. This work was supported by the Office
of Science (BER) at Lawrence Livermore National Laboratory under
Contract DE-AC52-07NA27344. All authors were supported by BER's Regional
and Global Climate Modeling (RGCM) Program.
NR 38
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U1 3
U2 16
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 2016
VL 29
IS 2
BP 513
EP 524
DI 10.1175/JCLI-D-15-0352.1
PG 12
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA DB6OH
UT WOS:000368633800001
ER
PT J
AU Pedersen, RA
Cvijanovic, I
Langen, PL
Vinther, BM
AF Pedersen, Rasmus A.
Cvijanovic, Ivana
Langen, Peter L.
Vinther, Bo M.
TI The Impact of Regional Arctic Sea Ice Loss on Atmospheric Circulation
and the NAO
SO JOURNAL OF CLIMATE
LA English
DT Article
DE Geographic location; entity; Arctic; Sea ice; Circulation; Dynamics;
Atmospheric circulation; Atm; Ocean Structure; Phenomena; North Atlantic
Oscillation; Models and modeling; General circulation models
ID NORTH-ATLANTIC OSCILLATION; CLIMATE MODEL; WINTER CIRCULATION; EASTWARD
SHIFT; AMPLIFICATION; CCM3; VARIABILITY; SENSITIVITY; STORMINESS;
SIMULATION
AB Reduction of the Arctic sea ice cover can affect the atmospheric circulation and thus impact the climate beyond the Arctic. The atmospheric response may, however, vary with the geographical location of sea ice loss. The atmospheric sensitivity to the location of sea ice loss is studied using a general circulation model in a configuration that allows combination of a prescribed sea ice cover and an active mixed layer ocean. This hybrid setup makes it possible to simulate the isolated impact of sea ice loss and provides a more complete response compared to experiments with fixed sea surface temperatures. Three investigated sea ice scenarios with ice loss in different regions all exhibit substantial near-surface warming, which peaks over the area of ice loss. The maximum warming is found during winter, delayed compared to the maximum sea ice reduction. The wintertime response of the midlatitude atmospheric circulation shows a nonuniform sensitivity to the location of sea ice reduction. While all three scenarios exhibit decreased zonal winds related to high-latitude geopotential height increases, the magnitudes and locations of the anomalies vary between the simulations. Investigation of the North Atlantic Oscillation reveals a high sensitivity to the location of the ice loss. The northern center of action exhibits clear shifts in response to the different sea ice reductions. Sea ice loss in the Atlantic and Pacific sectors of the Arctic cause westward and eastward shifts, respectively.
C1 [Pedersen, Rasmus A.; Vinther, Bo M.] Univ Copenhagen, Niels Bohr Inst, Ctr Ice & Climate, Juliane Maries Vej 30, DK-2100 Copenhagen, Denmark.
[Pedersen, Rasmus A.; Langen, Peter L.] Danish Meteorol Inst, Climate & Arctic Res, Copenhagen, Denmark.
[Cvijanovic, Ivana] Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, Livermore, CA USA.
RP Pedersen, RA (reprint author), Univ Copenhagen, Niels Bohr Inst, Ctr Ice & Climate, Juliane Maries Vej 30, DK-2100 Copenhagen, Denmark.
EM anker@nbi.ku.dk
RI Pedersen, Rasmus/P-5388-2015
OI Pedersen, Rasmus/0000-0002-4659-8031
FU European Research Council under the European Union's Seventh Framework
Programme (FP7)/ERC, ice2ice project [610055]; Danish National Research
Foundation through the Centre for Ice and Climate at the Niels Bohr
Institute
FX The authors thank Ken Caldeira for invaluable suggestions for the
experiments and analysis. We are grateful to the Department of Global
Ecology at the Carnegie Institution for Science in Stanford, California,
for hosting R. Pedersen and facilitating this research, and to the
Center for Computational Earth and Environmental Science at Stanford
University for providing the computational resources required for this
project. The research leading to these results has received funding from
the European Research Council under the European Union's Seventh
Framework Programme (FP7/2007-2013)/ERC Grant Agreement 610055 as part
of the ice2ice project. The authors acknowledge the support of the
Danish National Research Foundation through the Centre for Ice and
Climate at the Niels Bohr Institute. We thank the editor and three
anonymous reviewers for insightful suggestions that helped improve the
manuscript.
NR 64
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Z9 6
U1 5
U2 16
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 2016
VL 29
IS 2
BP 889
EP 902
DI 10.1175/JCLI-D-15-0315.1
PG 14
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA DB6QO
UT WOS:000368640200003
ER
PT J
AU Berry, PC
Heintz, PH
Siergiej, D
AF Berry, P. C.
Heintz, P. H.
Siergiej, D.
TI Radiation Dose to an Internal Component
SO MATERIALS EVALUATION
LA English
DT Article
DE dosimetry; heterogeneity correction; megavolt energy; radiography
ID INTERFACES
AB The advent of digital radiography and high-speed cone beam computed tomography for routine nondestructive testing has revolutionized industrial inspection and quality assurance programs over the past decade. While exposure time for a single digital radiography image is typically much less than that required to obtain a comparable film-screen image, the large number of sequential digital radiography images generated during today's digital radiography and computed tomography inspections can result in significantly higher overall radiation dosage as compared to when film screen was the standard radiographic technique. Knowing the internal dose received by both the digital X-ray panel and the individual internal components in a part under inspection can help avoid unexpected damage and assist in performing failure analysis. This paper reviews the source-to-surface technique to manually calculate radiation dose at an internal interface for source energies in the megaelectronvolt range, typical of those encountered when testing larger industrial objects, and provides examples demonstrating the calculation of the various parameters required. A future paper will discuss required modifications for applications in the kilovolt range.
C1 [Berry, P. C.; Heintz, P. H.] Univ New Mexico, Dept Radiol, Albuquerque, NM 87131 USA.
[Berry, P. C.] Los Alamos Natl Lab, Los Alamos, NM USA.
[Siergiej, D.] Univ New Mexico, Canc Ctr, Albuquerque, NM 87131 USA.
RP Berry, PC (reprint author), Univ New Mexico, Dept Radiol, Albuquerque, NM 87131 USA.
NR 13
TC 0
Z9 0
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 2016
VL 74
IS 1
BP 90
EP 95
PG 6
WC Materials Science, Characterization & Testing
SC Materials Science
GA DB3BG
UT WOS:000368383900013
ER
PT S
AU Chambers, RS
Stavig, ME
Tandon, R
AF Chambers, Robert S.
Stavig, Mark E.
Tandon, Rajan
BE Ralph, C
Silberstein, M
Thakre, PR
Singh, R
TI Viscoelasticity of Glass-Forming Materials: What About Inorganic Sealing
Glasses?
SO MECHANICS OF COMPOSITE AND MULTIFUNCTIONAL MATERIALS, VOL 7
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT Annual Conference and Exposition of Society-for-Experimental-Mechanics
on Experimental and Applied Mechanics
CY JUN 08-11, 2015
CL Costa Mesa, CA
SP Soc Experimental Mech
DE Nonlinear; Viscoelasticity; Polymers; Modeling; Glasses
ID THERMODYNAMICALLY CONSISTENT; TEMPERATURE DEPENDENCE; POLYMERS; MODEL;
RELAXATION
AB Glass forming materials like polymers exhibit a variety of complex, nonlinear, time-dependent relaxations in volume, enthalpy and stress, all of which affect material performance and aging. Durable product designs rely on the capability to predict accurately how these materials will respond to mechanical loading and temperature regimes over prolonged exposures to operating environments. This cannot be achieved by developing a constitutive framework to fit only one or two types of experiments. Rather, it requires a constitutive formalism that is quantitatively predictive to engineering accuracy for the broad range of observed relaxation behaviors. Moreover, all engineering analyses must be performed from a single set of material model parameters. The rigorous nonlinear viscoelastic Potential Energy Clock (PEC) model and its engineering phenomenological equivalent, the Simplified Potential Energy Clock (SPEC) model, were developed to fulfill such roles and have been applied successfully to thermoplastics and filled and unfilled thermosets. Recent work has provided an opportunity to assess the performance of the SPEC model in predicting the viscoelastic behavior of an inorganic sealing glass. This presentation will overview the history of PEC and SPEC and describe the material characterization, model calibration and validation associated with the high Tg (similar to 460 degrees C) sealing glass.
C1 [Chambers, Robert S.; Stavig, Mark E.; Tandon, Rajan] Sandia Natl Labs, POB 8500, Albuquerque, NM 87185 USA.
RP Chambers, RS (reprint author), Sandia Natl Labs, POB 8500, Albuquerque, NM 87185 USA.
EM rtandon@sandia.gov
NR 7
TC 0
Z9 0
U1 0
U2 1
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-21762-8; 978-3-319-21761-1
J9 C PROC SOC EXP MECH
PY 2016
BP 81
EP 88
DI 10.1007/978-3-319-21762-8_10
PG 8
WC Engineering, Mechanical; Materials Science, Multidisciplinary
SC Engineering; Materials Science
GA BE1SW
UT WOS:000368488900010
ER
PT S
AU Neilsen, MK
Lu, WY
Scherzinger, WM
Hinnerichs, TD
Lo, CS
AF Neilsen, Michael K.
Lu, Wei-Yang
Scherzinger, William M.
Hinnerichs, Terry D.
Lo, Chi S.
BE Ralph, C
Silberstein, M
Thakre, PR
Singh, R
TI Unified Creep Plasticity Damage (UCPD) Model for Rigid Polyurethane
Foams
SO MECHANICS OF COMPOSITE AND MULTIFUNCTIONAL MATERIALS, VOL 7
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT Annual Conference and Exposition of Society-for-Experimental-Mechanics
on Experimental and Applied Mechanics
CY JUN 08-11, 2015
CL Costa Mesa, CA
SP Soc Experimental Mech
DE Polyurethane foam; Cellular solid; Constitutive model; Fracture; Unified
Creep Plasticity
AB Experiments were performed to characterize the mechanical response of several different rigid polyurethane foams to large deformation. In these experiments, the effects of load path, loading rate, and temperature were investigated. Results from these experiments indicated that rigid polyurethane foams exhibit significant damage, volumetric and deviatoric plasticity when they are compressed. Rigid polyurethane foams were also found to be extremely strain-rate and temperature dependent. These foams are also rather brittle and crack when loaded to small strains in tension or to larger strains in compression. Thus, a phenomenological Unified Creep Plasticity Damage (UCPD) model was developed to describe the mechanical response of these foams to large deformation at a variety of temperatures and strain rates. This paper includes a description of recent experiments and experimental findings. Next, development of a UCPD model for rigid, polyurethane foams is described. Finite element simulations with the new UCPD model are compared with experimental results to show behavior that can be captured with this model.
C1 [Neilsen, Michael K.; Scherzinger, William M.; Hinnerichs, Terry D.; Lo, Chi S.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
[Lu, Wei-Yang] Sandia Natl Labs, Livermore, CA 94551 USA.
RP Neilsen, MK (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM mkneils@sandia.gov
NR 9
TC 0
Z9 0
U1 1
U2 4
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-21762-8; 978-3-319-21761-1
J9 C PROC SOC EXP MECH
PY 2016
BP 89
EP 97
DI 10.1007/978-3-319-21762-8_11
PG 9
WC Engineering, Mechanical; Materials Science, Multidisciplinary
SC Engineering; Materials Science
GA BE1SW
UT WOS:000368488900011
ER
PT S
AU Li, WL
Brown, EN
Rae, PJ
Gazonas, G
Negahban, M
AF Li, Wenlong
Brown, Eric N.
Rae, Philip J.
Gazonas, George
Negahban, Mehrdad
BE Ralph, C
Silberstein, M
Thakre, PR
Singh, R
TI Mechanical Characterization and Preliminary Modeling of PEEK
SO MECHANICS OF COMPOSITE AND MULTIFUNCTIONAL MATERIALS, VOL 7
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT Annual Conference and Exposition of Society-for-Experimental-Mechanics
on Experimental and Applied Mechanics
CY JUN 08-11, 2015
CL Costa Mesa, CA
SP Soc Experimental Mech
DE Poly-ether-ether-ketone (PEEK); Equilibrium stress; Plastic flow;
Anisotropic elasticity; Mechanical modeling
ID GLASSY POLYCARBONATE; ANISOTROPIES; EVOLUTION; SHEAR
AB Poly-ether-ether-ketone (PEEK) is a high-performance semi-crystalline polymer with mechanical and thermal stability characteristics that are superior to most tough polymers. The mechanical characteristics of this polymer are modeled over a broad range of mechanical loading conditions using a thermodynamically consistent modeling process. This preliminary model, which ignores the thermal response and the possible recrystallization of this material during loading, shows an outstanding ability to capture the multidimensional nonlinear response of PEEK up to 60 % compression, with loading rates from 0.0001 to 3000 1/s at room temperature. The model includes the measured anisotropy in the wave response that develops with plastic flow, captures the evolution of the measured equilibrium stress, and correctly matches the evolution of the tangent modulus at equilibrium. This broad range of rates and experimental conditions are achieved by using a two-element nonlinear thermodynamically-consistent model.
C1 [Li, Wenlong; Negahban, Mehrdad] Univ Nebraska, Mech & Mat Engn, Lincoln, NE 68588 USA.
[Brown, Eric N.; Rae, Philip J.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
[Gazonas, George] US Army Res Lab, Aberdeen Proving Ground, MD 21005 USA.
RP Negahban, M (reprint author), Univ Nebraska, Mech & Mat Engn, Lincoln, NE 68588 USA.
EM mnegahban@unl.edu
OI Brown, Eric/0000-0002-6812-7820
NR 15
TC 0
Z9 0
U1 2
U2 8
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-21762-8; 978-3-319-21761-1
J9 C PROC SOC EXP MECH
PY 2016
BP 209
EP 218
DI 10.1007/978-3-319-21762-8_25
PG 10
WC Engineering, Mechanical; Materials Science, Multidisciplinary
SC Engineering; Materials Science
GA BE1SW
UT WOS:000368488900025
ER
PT S
AU Lu, WY
AF Lu, Wei-Yang
BE Ralph, C
Silberstein, M
Thakre, PR
Singh, R
TI Compression of Silicone Foams
SO MECHANICS OF COMPOSITE AND MULTIFUNCTIONAL MATERIALS, VOL 7
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT Annual Conference and Exposition of Society-for-Experimental-Mechanics
on Experimental and Applied Mechanics
CY JUN 08-11, 2015
CL Costa Mesa, CA
SP Soc Experimental Mech
DE Silicone foam; Compression; Friction; Stress-strain; Soft materials
AB Silicone foams are used as cushions for impact protection. They are soft and will recover from very large deformation with little damage. Understanding their compression behaviors in high performance environments and providing necessary calibration and validation data for constitutive models are highly important. Characterizing these soft materials, however, is quite challenging. In this study, the foam deformation is carefully studied. With a new compression experimental setup, the force and displacement fields at the foam-platen interface are examined in detail. These additional data will be used to compute the compressive stress-stain behavior of the soft material. The experimental method and foams compression results are presented.
C1 [Lu, Wei-Yang] Sandia Natl Labs, Livermore, CA 94551 USA.
RP Lu, WY (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA.
EM wlu@sandia.gov
NR 0
TC 0
Z9 0
U1 1
U2 6
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-21762-8; 978-3-319-21761-1
J9 C PROC SOC EXP MECH
PY 2016
BP 225
EP 230
DI 10.1007/978-3-319-21762-8_27
PG 6
WC Engineering, Mechanical; Materials Science, Multidisciplinary
SC Engineering; Materials Science
GA BE1SW
UT WOS:000368488900027
ER
PT J
AU Budworth, H
Lee, DY
McMurray, C
Ross, C
AF Budworth, H.
Lee, D. Y.
McMurray, C.
Ross, C.
TI Metabolic Biomarkers of Huntington Disease.
SO NEUROTHERAPEUTICS
LA English
DT Meeting Abstract
C1 [Budworth, H.; McMurray, C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
[Lee, D. Y.] Kookmin Univ, Dept Bio & Fermentat Convergence Technol, Seoul, South Korea.
[Ross, C.] Johns Hopkins Med, Baltimore, MD USA.
NR 0
TC 0
Z9 0
U1 1
U2 1
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1933-7213
EI 1878-7479
J9 NEUROTHERAPEUTICS
JI Neurotherapeutics
PD JAN
PY 2016
VL 13
IS 1
MA 4
BP 245
EP 245
PG 1
WC Clinical Neurology; Neurosciences; Pharmacology & Pharmacy
SC Neurosciences & Neurology; Pharmacology & Pharmacy
GA DB5SU
UT WOS:000368574700034
ER
PT J
AU Mesina, GL
Aumiller, DL
Busehman, FX
AF Mesina, G. L.
Aumiller, D. L.
Busehman, F. X.
TI Extremely Accurate Sequential Verification of RELAP5-3D
SO NUCLEAR SCIENCE AND ENGINEERING
LA English
DT Article
DE RELAP5-3D; verification; governing equations
AB Large computer programs like RELAP5-3D solve complex systems of governing, closure, and special process equations to model the underlying physics of thermal-hydraulic systems and include specialized physics for the modeling of nuclear power plants. Further, these programs incorporate other mechanisms for selecting optional code physics, input, output, data management, user interaction, and post-processing. Before being released to users, software quality assurance requires verification and validation. RELAP5-3D verification and validation are focused toward nuclear power plant applications. Verification ensures that the program is built right by checking that it meets its design specifications, comparing coding algorithms to equations, comparing calculations against analytical solutions, and the method of manufactured solutions.
Sequential verification performs these comparisons initially, but thereafter only compares code calculations between consecutive code versions to demonstrate that no unintended changes have been introduced. An automated, highly accurate sequential verification method, based on previous work by Aumiller, has been developed for RELAP5-3D. It provides the ability to test that no unintended consequences result from code development. Moreover, it provides the means to test the following code capabilities: repeated time-step advancement, runs continued from a restart file, and performance of coupled analyses using the R5EXEC executive program. Analyses of the adequacy of the checks used in these comparisons are provided.
C1 [Mesina, G. L.] Idaho Natl Lab, 2525 Fremont Ave, Idaho Falls, ID 83402 USA.
[Aumiller, D. L.; Busehman, F. X.] Bettis Atom Power Lab, 814 Pittsburgh McKeesport Blvd, West Mifflin, PA 15122 USA.
RP Mesina, GL (reprint author), Idaho Natl Lab, 2525 Fremont Ave, Idaho Falls, ID 83402 USA.
EM george.mesina@inl.gov
NR 14
TC 0
Z9 0
U1 1
U2 1
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5639
EI 1943-748X
J9 NUCL SCI ENG
JI Nucl. Sci. Eng.
PD JAN
PY 2016
VL 182
IS 1
BP 1
EP 12
PG 12
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA DB5RN
UT WOS:000368571400003
ER
PT J
AU Mesina, GL
AF Mesina, G. L.
TI A History of RELAP Computer Codes
SO NUCLEAR SCIENCE AND ENGINEERING
LA English
DT Editorial Material
C1 [Mesina, G. L.] Idaho Natl Lab, 2525 Fremont Ave, Idaho Falls, ID 83402 USA.
RP Mesina, GL (reprint author), Idaho Natl Lab, 2525 Fremont Ave, Idaho Falls, ID 83402 USA.
NR 0
TC 0
Z9 0
U1 2
U2 2
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5639
EI 1943-748X
J9 NUCL SCI ENG
JI Nucl. Sci. Eng.
PD JAN
PY 2016
VL 182
IS 1
BP V
EP IX
PG 5
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA DB5RN
UT WOS:000368571400002
ER
PT J
AU Mesina, GL
Aumiller, DL
Buschman, FX
Kyle, MR
AF Mesina, G. L.
Aumiller, D. L.
Buschman, F. X.
Kyle, M. R.
TI Modeling Moving Systems with RELAP5-3D
SO NUCLEAR SCIENCE AND ENGINEERING
LA English
DT Article
DE RELAP5-3D; noninertial frame; Euler angles
AB The RELAP5-3D code is typically used to model stationary, land-based, thermal-hydraulic systems and contains specialized physics for the modeling of nuclear power plants. It can also model thermal-hydraulic systems in other inertial and accelerating frames of reference. By changing the magnitude of the gravitational vector through user input, RELAP5-3D can model thermal-hydraulic systems on planets, moons, and space stations. Additionally, the field equations were modified to model thermal-hydraulic systems in a noninertial frame, such as occur onboard moving craft or during earthquakes for land-based systems.
Transient body forces affect fluid flow in thermal-fluid machinery aboard accelerating crafts during rotational and translational accelerations. It is useful to express the equations of fluid motion in the accelerating frame of reference attached to the moving craft. However, careful treatment of the rotational and translational kinematics is required to accurately capture the physics of fluid motion. Correlations for flow at angles between horizontal and vertical are generated via interpolation because limited experimental data exist.
Equations for three-dimensional fluid motion in a noninertial frame of reference are developed. Two different systems for describing rotational motion are presented, user input is discussed, and examples of a modeled simple thermal-hydraulic system undergoing both rotational and translational motion are provided.
C1 [Mesina, G. L.] Idaho Natl Lab, 2525 Fremont Ave, Idaho Falls, ID 83402 USA.
[Aumiller, D. L.; Buschman, F. X.; Kyle, M. R.] Bettis Atom Power Lab, 814 Pittsburgh McKeesport Blvd, West Mifflin, PA 15122 USA.
RP Mesina, GL (reprint author), Idaho Natl Lab, 2525 Fremont Ave, Idaho Falls, ID 83402 USA.
EM george.mesina@inl.gov
NR 6
TC 1
Z9 1
U1 0
U2 0
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5639
EI 1943-748X
J9 NUCL SCI ENG
JI Nucl. Sci. Eng.
PD JAN
PY 2016
VL 182
IS 1
BP 83
EP 95
PG 13
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA DB5RN
UT WOS:000368571400007
ER
PT J
AU Rabiti, C
Alfonsi, A
Epiney, A
AF Rabiti, C.
Alfonsi, A.
Epiney, A.
TI New Simulation Schemes and Capabilities for the PHISICS/RELAP5-3D
Coupled Suite
SO NUCLEAR SCIENCE AND ENGINEERING
LA English
DT Article
DE RELAP5-3D; PHISICS; depletion
AB PHISICS (Parallel and Highly Innovative Simulation for INL Code System) is a reactor physics package developed at the Idaho National Laboratory. It is composed of several modules: a nodal and semi structured transport core solver (INSTANT), a depletion module (MRTAU), a time-dependent solver (TimeIntegrator), a cross-section interpolation and manipulation framework (MIXER), a criticality search module (CRITICALITY), and a fuel management and shuffling component (SHUFFLE). The PHISICS code has been coupled to the RELAP5-3D thermal-hydraulics code. Flexibility in the coupling among the different modules and with RELAP5-3D allows for several new integrated computational schemes and improvements with respect to current available options using NESTLE/RELAP5-3D. These schemes will be described in this paper. Moreover, the whole PHISICS package is fully parallelized, using the Message Passing Interface protocol. This allows for reduced computational times, while providing the capability to solve very detailed problems.
C1 [Rabiti, C.; Alfonsi, A.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
[Epiney, A.] Paul Scherrer Inst, Villigen, Switzerland.
RP Rabiti, C (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA.
EM cristian.rabiti@inl.gov
OI Alfonsi, Andrea/0000-0003-2866-4346
NR 11
TC 1
Z9 1
U1 1
U2 1
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5639
EI 1943-748X
J9 NUCL SCI ENG
JI Nucl. Sci. Eng.
PD JAN
PY 2016
VL 182
IS 1
BP 104
EP 118
PG 15
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA DB5RN
UT WOS:000368571400009
ER
PT J
AU Garcia-Forner, N
Adams, HD
Sevanto, S
Collins, AD
Dickman, LT
Hudson, PJ
Zeppel, MJB
Jenkins, M
Powers, H
Martinez-Vilalta, J
McDowell, NG
AF Garcia-Forner, Nuria
Adams, Henry D.
Sevanto, Sanna
Collins, Adam D.
Dickman, Lee T.
Hudson, Patrick J.
Zeppel, Melanie J. B.
Jenkins, Michael W.
Powers, Heath
Martinez-Vilalta, Jordi
McDowell, Nate G.
TI Responses of two semiarid conifer tree species to reduced precipitation
and warming reveal new perspectives for stomatal regulation
SO PLANT CELL AND ENVIRONMENT
LA English
DT Article
DE carbon starvation; drought; global change; hydraulic conductivity;
hydraulic failure; increased temperature; iso- versus anisohydric
behaviour; mortality; stomatal conductance
ID PINYON-JUNIPER WOODLAND; CHANGE-TYPE DROUGHT; VAPOR-PRESSURE DEFICIT;
LEAF GAS-EXCHANGE; REGIONAL DIE-OFF; PINUS-EDULIS; ANISOHYDRIC
BEHAVIORS; VEGETATION MORTALITY; EVAPORATIVE DEMAND; CARBON METABOLISM
AB Relatively anisohydric species are predicted to be more predisposed to hydraulic failure than relatively isohydric species, as they operate with narrower hydraulic safety margins. We subjected co-occurring anisohydric Juniperus monosperma and isohydric Pinus edulis trees to warming, reduced precipitation, or both, and measured their gas exchange and hydraulic responses. We found that reductions in stomatal conductance and assimilation by heat and drought were more frequent during relatively moist periods, but these effects were not exacerbated in the combined heat and drought treatment. Counter to expectations, both species exhibited similar gs temporal dynamics in response to drought. Further, whereas P. edulis exhibited chronic embolism, J. monosperma showed very little embolism due to its conservative stomatal regulation and maintenance of xylem water potential above the embolism entry point. This tight stomatal control and low levels of embolism experienced by juniper refuted the notion that very low water potentials during drought are associated with loose stomatal control and with the hypothesis that anisohydric species are more prone to hydraulic failure than isohydric species. Because direct association of stomatal behaviour with embolism resistance can be misleading, we advocate consideration of stomatal behaviour relative to embolism resistance for classifying species drought response strategies.
C1 [Garcia-Forner, Nuria; Martinez-Vilalta, Jordi] CREAF, Cerdanyola Del Valles 08193, Spain.
[Garcia-Forner, Nuria; Martinez-Vilalta, Jordi] Univ Autonoma Barcelona, Cerdanyola Del Valles 08193, Spain.
[Adams, Henry D.; Sevanto, Sanna; Collins, Adam D.; Dickman, Lee T.; Powers, Heath; McDowell, Nate G.] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA.
[Hudson, Patrick J.] Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA.
[Zeppel, Melanie J. B.] Macquarie Univ, Dept Biol Sci, Sydney, NSW 2109, Australia.
[Jenkins, Michael W.] Univ Calif Santa Cruz, Dept Environm Studies, Santa Cruz, CA 95064 USA.
RP Garcia-Forner, N (reprint author), CREAF, Cerdanyola Del Valles 08193, Spain.
EM n.garcia@creaf.uab.es
RI Martinez-Vilalta, Jordi/D-3385-2014;
OI Martinez-Vilalta, Jordi/0000-0002-2332-7298; Zeppel,
Melanie/0000-0002-5510-0936; Garcia-Forner, Nuria/0000-0002-7788-0718
FU DOE-Office of Science, Office of Biological and Environmental Research;
Spanish Ministry of Economy and Competitiveness (MINECO)
[CGL2013-46808-R]; FPI scholarship from the MINECO [CGL2010-16373];
Australian Research Council Early Career Researcher fellowship (DECRA);
Los Alamos National Laboratory LDRD
FX We would like to thank the research assistant Jessica Wilks who was
involved in this study. This study was supported by DOE-Office of
Science, Office of Biological and Environmental Research, the Spanish
Ministry of Economy and Competitiveness (MINECO) via competitive grant
CGL2013-46808-R. N.G.F. was supported by an FPI scholarship from the
MINECO associated to grant CGL2010-16373. M.Z. was supported by an
Australian Research Council Early Career Researcher fellowship (DECRA).
H.D.A. was supported by Los Alamos National Laboratory LDRD Director's
Fellowship.
NR 54
TC 15
Z9 15
U1 17
U2 51
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0140-7791
EI 1365-3040
J9 PLANT CELL ENVIRON
JI Plant Cell Environ.
PD JAN
PY 2016
VL 39
IS 1
BP 38
EP 49
DI 10.1111/pce.12588
PG 12
WC Plant Sciences
SC Plant Sciences
GA DB4QZ
UT WOS:000368499500005
PM 26081870
ER
PT J
AU Fuerst, TF
Reese, MO
Wolden, CA
AF Fuerst, Thomas F.
Reese, Matthew O.
Wolden, Colin A.
TI PECVD Synthesis of Flexible Optical Coatings for Renewable Energy
Applications
SO PLASMA PROCESSES AND POLYMERS
LA English
DT Article
DE nanolayers; optical coatings; plasma-enhanced chemical vapor deposition
(PECVD); silicone
ID TIO2/SIO2 MULTILAYER; ANATASE TIO2; THIN-FILMS; DEPOSITION; TECHNOLOGY;
POLYMERS; MIRRORS
AB The design, fabrication, and evaluation of flexible, multilayer optical coatings deposited by plasma-enhanced chemical vapor deposition at low temperature are demonstrated using hybrid nanolaminates consisting of TiO2 and silicone (SiOxCyHz) as the high and low refractive index materials, respectively. A broadband anti-reflection coating was designed and deposited onto a variety of substrates including flexible polyethylene terephthalate (PET) and CdTe solar cells which was shown to increase absolute transmission by an average of 3% over 410-850nm wavelengths and results in a commensurate increase in short circuit current density. An infrared reflector was designed and applied to PET which was found to provide 70% reflectance in the near-IR while maintaining >80% transmittance for visible light. The optical performance of these flexible coatings on PET remained unchanged after automated bend testing, and were shown to be robust with respect to humidity and thermal shock tests.
C1 [Fuerst, Thomas F.; Wolden, Colin A.] Colorado Sch Mines, Dept Chem & Biol Engn, 1500 Illinois St, Golden, CO 80401 USA.
[Reese, Matthew O.] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
RP Wolden, CA (reprint author), Colorado Sch Mines, Dept Chem & Biol Engn, 1500 Illinois St, Golden, CO 80401 USA.
EM cwolden@mines.edu
FU Colorado Office of Economic Development and International Trade; U.S.
Department of Energy through the SunShot Foundational Program to Advance
Cell Efficiency (F-PACE) [DE-AC36-08-GO28308]
FX We would like to thank the Colorado Office of Economic Development and
International Trade for financial support of this work. We greatly
appreciate Ms. Jiaojiao Li for providing solar cells and conducting J-V
measurements through the support of the Bay Area Photovoltaic
Consortium. MR was supported by the U.S. Department of Energy through
the SunShot Foundational Program to Advance Cell Efficiency (F-PACE)
under Contract No. DE-AC36-08-GO28308.
NR 36
TC 0
Z9 0
U1 2
U2 5
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 2016
VL 13
IS 1
SI SI
BP 184
EP 190
DI 10.1002/ppap.201500114
PG 7
WC Physics, Applied; Physics, Fluids & Plasmas; Physics, Condensed Matter;
Polymer Science
SC Physics; Polymer Science
GA DB4AD
UT WOS:000368454200014
ER
PT J
AU Rycroft, CH
Bazant, MZ
AF Rycroft, Chris H.
Bazant, Martin Z.
TI Asymmetric collapse by dissolution or melting in a uniform flow
SO PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING
SCIENCES
LA English
DT Article
DE conformal mapping; interfaces; dissolution; finite-time singularity;
broken symmetry
ID DIFFUSION-LIMITED AGGREGATION; LAPLACIAN GROWTH; SURFACE-TENSION;
PATTERN-FORMATION; POTENTIAL FLOWS; CRYSTAL-GROWTH; FRACTAL GROWTH;
POROUS-MEDIA; DYNAMICS; SOLIDIFICATION
AB An advection-diffusion-limited dissolution model of an object being eroded by a two-dimensional potential flow is presented. By taking advantage of the conformal invariance of the model, a numerical method is introduced that tracks the evolution of the object boundary in terms of a time-dependent Laurent series. Simulations of a variety of dissolving objects are shown, which shrink and collapse to a single point in finite time. The simulations reveal a surprising exact relationship, whereby the collapse point is the root of a non-analytic function given in terms of the flow velocity and the Laurent series coefficients describing the initial shape. This result is subsequently derived using residue calculus. The structure of the non-analytic function is examined for three different test cases, and a practical approach to determine the collapse point using a generalized Newton-Raphson root-finding algorithm is outlined. These examples also illustrate the possibility that the model breaks down in finite time prior to complete collapse, due to a topological singularity, as the dissolving boundary overlaps itself rather than breaking up into multiple domains (analogous to droplet pinchoff in fluid mechanics). The model raises fundamental mathematical questions about broken symmetries in finite-time singularities of both continuous and stochastic dynamical systems.
C1 [Rycroft, Chris H.] Harvard Univ, Paulson Sch Engn & Appl Sci, Cambridge, MA 02138 USA.
[Rycroft, Chris H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Math, Berkeley, CA 94720 USA.
[Bazant, Martin Z.] MIT, Dept Chem Engn, Cambridge, MA 02139 USA.
[Bazant, Martin Z.] MIT, Dept Math, Cambridge, MA 02139 USA.
RP Rycroft, CH (reprint author), Harvard Univ, Paulson Sch Engn & Appl Sci, Cambridge, MA 02138 USA.; Rycroft, CH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Math, Berkeley, CA 94720 USA.
EM chr@seas.harvard.edu
OI Rycroft, Chris/0000-0003-4677-6990
FU Office of Science, Computational and Technology Research, US Department
of Energy [DE-AC02-05CH11231]
FX C.H.R. was supported by the Director, Office of Science, Computational
and Technology Research, US Department of Energy under contract no.
DE-AC02-05CH11231.
NR 73
TC 1
Z9 1
U1 3
U2 9
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 2016
VL 472
IS 2185
AR 20150531
DI 10.1098/rspa.2015.0531
PG 28
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DB4JJ
UT WOS:000368479000009
PM 26997890
ER
PT J
AU Ford, SR
Labak, P
AF Ford, Sean R.
Labak, Peter
TI An Explosion Aftershock Model with Application to On-Site Inspection
SO PURE AND APPLIED GEOPHYSICS
LA English
DT Article
DE OSI; SAMS; Passive method; Signal processing; Seismic
ID BENHAM NUCLEAR EXPLOSION; EARTHQUAKES; HAZARD
AB An estimate of aftershock activity due to a theoretical underground nuclear explosion is produced using an aftershock rate model. The model is developed with data from the Nevada National Security Site, formerly known as the Nevada Test Site, and the Semipalatinsk Test Site, which we take to represent soft-rock and hard-rock testing environments, respectively. Estimates of expected magnitude and number of aftershocks are calculated using the models for different testing and inspection scenarios. These estimates can help inform the Seismic Aftershock Monitoring System (SAMS) deployment in a potential Comprehensive Test Ban Treaty On-Site Inspection (OSI), by giving the OSI team a probabilistic assessment of potential aftershocks in the Inspection Area (IA). The aftershock assessment, combined with an estimate of the background seismicity in the IA and an empirically derived map of threshold magnitude for the SAMS network, could aid the OSI team in reporting. We apply the hard-rock model to a M5 event and combine it with the very sensitive detection threshold for OSI sensors to show that tens of events per day are expected up to a month after an explosion measured several kilometers away.
C1 [Ford, Sean R.] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Labak, Peter] Comprehens Test Ban Treaty Org Preparatory Commis, Vienna, Austria.
RP Ford, SR (reprint author), Lawrence Livermore Natl Lab, Livermore, CA USA.
EM sean@llnl.gov
RI Ford, Sean/F-9191-2011
OI Ford, Sean/0000-0002-0376-5792
FU US Department of Energy by the Lawrence Livermore National Laboratory
[DE-AC52-07NA27344, LLNL-JRNL-652465]
FX The authors are grateful for two anonymous reviews and a review by the
Associate Editor, Anton Dainty. His efforts in producing the highest
quality articles regarding explosion monitoring, and seismic analyses in
general have benefitted the entire community and will be greatly missed.
The authors are grateful for support from the US Department of Energy,
National Nuclear Security Administration, Nonproliferation and
International Security and the Comprehensive Test Ban Treaty
Organization Preparatory Commission, Conference on Science and
Technology. This research was performed in part under the auspices of
the US Department of Energy by the Lawrence Livermore National
Laboratory under contract number DE-AC52-07NA27344; Information
Management release number LLNL-JRNL-652465.
NR 19
TC 0
Z9 0
U1 1
U2 2
PU SPRINGER BASEL AG
PI BASEL
PA PICASSOPLATZ 4, BASEL, 4052, SWITZERLAND
SN 0033-4553
EI 1420-9136
J9 PURE APPL GEOPHYS
JI Pure Appl. Geophys.
PD JAN
PY 2016
VL 173
IS 1
SI SI
BP 173
EP 181
DI 10.1007/s00024-015-1041-x
PG 9
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA DB5JH
UT WOS:000368549900014
ER
PT S
AU Merson, JS
Prime, MB
Lovato, ML
Liu, C
AF Merson, Jacob S.
Prime, Michael B.
Lovato, Manuel L.
Liu, Cheng
BE Bossuyt, S
Schajer, G
Carpinteri, A
TI In-Situ DIC and Strain Gauges to Isolate the Deficiencies in a Model for
Indentation Including Anisotropic Plasticity
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 Annual Conference and Exposition of Society-for-Experimental-Mechanics
on Experimental and Applied Mechanics
CY JUN 08-11, 2015
CL Costa Mesa, CA
SP Soc Experimental Mech
DE Residual stress; Digital image correlation; Plastic anisotropy; Finite
element model; Strain gauges
ID RESIDUAL-STRESS FIELD; PREDICTION
AB A 60-mm diameter disk of 2024 aluminum was indented by opposing steel indenters over a central 10 mm region. Residual stress measurements made using neutron diffraction and the contour method matched each other, but not a finite element (FE) model with a calibrated model for plastic anisotropy of the aluminum. Since residual stresses are only the endpoint of the process, in situ data was needed to determine which portion of the load/unload process was causing model deficiencies. The indentation process was repeated on a new specimen with three-dimensional Digital Image Correlation (3D-DIC) to map full-field strain information and with resistance strain gauges to obtain high fidelity strain information at discrete locations. The DIC data was too noisy to extract strains, so displacements were analyzed after rigid body motion was removed. The deformation field revealed geometric imperfections of the indenters that were within tolerance, but had significant effect on the stress state. An updated FE model including geometric imperfections in the indenters gave better agreement with the DIC data. It did not however allow the material model to become the dominant effect and thus model calibration was unsuccessful.
C1 [Merson, Jacob S.; Prime, Michael B.; Lovato, Manuel L.; Liu, Cheng] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
RP Prime, MB (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM prime@lanl.gov
RI Merson, Jacob/A-8058-2016;
OI Merson, Jacob/0000-0002-6813-6532; Prime, Michael/0000-0002-4098-5620
NR 29
TC 0
Z9 0
U1 4
U2 9
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-21765-9; 978-3-319-21764-2
J9 C PROC SOC EXP MECH
PY 2016
BP 183
EP 197
DI 10.1007/978-3-319-21765-9_24
PG 15
WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics
SC Engineering; Materials Science; Mechanics
GA BE1SX
UT WOS:000368490000024
ER
PT S
AU Jamison, RD
Gorman, PH
Rodelas, J
MacCallum, DO
Neidigk, M
Dempsey, JF
AF Jamison, Ryan D.
Gorman, Pierrette H.
Rodelas, Jeffrey
MacCallum, Danny O.
Neidigk, Matthew
Dempsey, J. Franklin
BE Bossuyt, S
Schajer, G
Carpinteri, A
TI Analysis of Laser Weld Induced Stress in a Hermetic Seal
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 Annual Conference and Exposition of Society-for-Experimental-Mechanics
on Experimental and Applied Mechanics
CY JUN 08-11, 2015
CL Costa Mesa, CA
SP Soc Experimental Mech
DE Laser weld; Residual stress; Hermetic seal; FEA; Thermomechanical
ID FINITE-ELEMENT SIMULATION
AB Laser welding of glass-to-metal electrical connectors is a common manufacturing method for creating a hermetically sealed device. The materials in these connectors, in particular the organic glass, are sensitive to thermal induced residual stress and localized heating. An analytical laser weld model is developed that provides simulation and analysis of both thermal and mechanical effects of the welding process. Experimental studies were conducted to measure the temperature at various locations on the connector. The laser weld is modeled using both surface and volumetric heating directed along the weld path to capture the thermal and mechanical response. The weld region is modeled using an elastic-plastic weld material model, which allows for compliance before welding and stiffening after the weld cools. Results from a finite element model of the glass-to-metal seal are presented and compared with experimental results. The residual compressive stress in the glass is reduced due to the welding process but hermeticity is maintained.
C1 [Jamison, Ryan D.; Gorman, Pierrette H.; Rodelas, Jeffrey; MacCallum, Danny O.; Neidigk, Matthew; Dempsey, J. Franklin] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
RP Jamison, RD (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM rdjamis@sandia.gov
NR 12
TC 0
Z9 0
U1 3
U2 8
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-21765-9; 978-3-319-21764-2
J9 C PROC SOC EXP MECH
PY 2016
BP 199
EP 207
DI 10.1007/978-3-319-21765-9_25
PG 9
WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics
SC Engineering; Materials Science; Mechanics
GA BE1SX
UT WOS:000368490000025
ER
PT S
AU Fairfax, EJ
Steinzig, M
AF Fairfax, E. J.
Steinzig, M.
BE Bossuyt, S
Schajer, G
Carpinteri, A
TI A Summary of Failures Caused by Residual Stresses
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 Annual Conference and Exposition of the
Society-for-Experimental-Mechanics on Experimental and Applied Mechanics
CY JUN 08-11, 2015
CL Costa Mesa, CA
SP Soc Expt Mech
DE Residual stress; Failure; Statistics; Database; Industry
AB Residual stress (RS) is often implicated in the failure of parts or assemblies, but there has not been any quantification or statistics collected on RS induced failures. Using the ASM Failure Analysis Database (TM), 147 individual case histories of failure analysis involving residual stress were identified and categorized based on various criteria. Information about the type of failure, material, processing, severity, date and other pertinent facts were extracted from the failure write-ups and the statistics on date of publication, material type, and failure type are compiled here. This information is used in conjunction with other compiled information on residual stress induced failures to estimate the impact of various residual stress induced problems in manufacturing and industry.
C1 [Fairfax, E. J.; Steinzig, M.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA.
RP Fairfax, EJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA.
EM fairfaxe@lanl.gov
NR 16
TC 1
Z9 1
U1 0
U2 5
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-21765-9; 978-3-319-21764-2
J9 C PROC SOC EXP MECH
PY 2016
BP 209
EP 214
DI 10.1007/978-3-319-21765-9_26
PG 6
WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics
SC Engineering; Materials Science; Mechanics
GA BE1SX
UT WOS:000368490000026
ER
PT S
AU Olson, MD
DeWald, AT
Prime, MB
Hill, MR
AF Olson, Mitchell D.
DeWald, Adrian T.
Prime, Michael B.
Hill, Michael R.
BE Bossuyt, S
Schajer, G
Carpinteri, A
TI Contour Method Residual Stress Measurement Uncertainty in a Quenched
Aluminum Bar and a Stainless Steel Welded Plate
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 Annual Conference and Exposition of Society-for-Experimental-Mechanics
on Experimental and Applied Mechanics
CY JUN 08-11, 2015
CL Costa Mesa, CA
SP Soc Experimental Mech
DE Residual stress measurement; Contour method; Uncertainty quantification;
Repeatability; Aluminum alloy 7050-T74; Quenching
AB This paper describes a newly developed uncertainty estimate for contour method residual stress measurements and presents results from two experiments where the uncertainty estimate was applied. The uncertainty estimate includes contributions from random error sources including the error arising from noise in displacement measurements and the smoothing of the displacement surfaces. The output is a two-dimensional, spatially varying uncertainty estimate such that every point on the cross-section where residual stress is determined has a corresponding uncertainty value. The current paper describes the use of the newly developed uncertainty estimate in a quenched aluminum bar with a cross section of 51 x 76 mm and a stainless steel weld plate with a cross-section of 25.4 x 152.4 mm, with a 6.35 mm deep groove, filled with a multi-pass weld. The estimated uncertainty in the quenched aluminum bar is approximately 5 MPa over the majority of the cross-section, with localized areas of higher uncertainty, up to 10 MPa. The estimated uncertainty in the welded stainless steel plate is approximately 22 MPa over the majority of the cross-section, with localized areas of higher uncertainty, over 50 MPa.
C1 [Olson, Mitchell D.; DeWald, Adrian T.] Hill Engn LLC, 3035 Prospect Pk Dr Suite 180, Rancho Cordova, CA 95670 USA.
[Olson, Mitchell D.; Hill, Michael R.] Univ Calif Davis, Dept Mech & Aerosp Engn, One Shields Ave, Davis, CA 95616 USA.
[Prime, Michael B.] Los Alamos Natl Lab, W-13,POB 1663, Los Alamos, NM 87545 USA.
RP Olson, MD (reprint author), Hill Engn LLC, 3035 Prospect Pk Dr Suite 180, Rancho Cordova, CA 95670 USA.; Olson, MD (reprint author), Univ Calif Davis, Dept Mech & Aerosp Engn, One Shields Ave, Davis, CA 95616 USA.
EM molson@ucdavis.edu
RI Hill, Michael/A-2525-2016;
OI Hill, Michael/0000-0002-9168-211X; Prime, Michael/0000-0002-4098-5620
NR 21
TC 0
Z9 0
U1 1
U2 2
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-21765-9; 978-3-319-21764-2
J9 C PROC SOC EXP MECH
PY 2016
BP 303
EP 312
DI 10.1007/978-3-319-21765-9_37
PG 10
WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics
SC Engineering; Materials Science; Mechanics
GA BE1SX
UT WOS:000368490000037
ER
PT J
AU Tan, L
Chen, ZZ
Song, SL
AF Tan, Li
Chen, Zizhong
Song, Shuaiwen Leon
TI Scalable Energy Efficiency with Resilience for High Performance
Computing Systems: A Quantitative Methodology
SO ACM TRANSACTIONS ON ARCHITECTURE AND CODE OPTIMIZATION
LA English
DT Article
DE Energy; power; DVFS; undervolting; performance; resilience; failures;
checkpoint and restart; scalability; HPC
ID AMDAHLS LAW; PROCESSOR
AB Ever-growing performance of supercomputers nowadays brings demanding requirements of energy efficiency and resilience, due to rapidly expanding size and duration in use of the large-scale computing systems. Many application/architecture-dependent parameters that determine energy efficiency and resilience individually have causal effects with each other, which directly affect the trade-offs among performance, energy efficiency and resilience at scale. To enable high-efficiency management for large-scale High-Performance Computing (HPC) systems nowadays, quantitatively understanding the entangled effects among performance, energy efficiency, and resilience is thus required. While previous work focuses on exploring energysaving and resilience-enhancing opportunities separately, little has been done to theoretically and empirically investigate the interplay between energy efficiency and resilience at scale. In this article, by extending the Amdahl's Law and the Karp-Flatt Metric, taking resilience into consideration, we quantitatively model the integrated energy efficiency in terms of performance perWatt and showcase the trade-offs among typical HPC parameters, such as number of cores, frequency/voltage, and failure rates. Experimental results for a wide spectrum of HPC benchmarks on two HPC systems show that the proposed models are accurate in extrapolating resilience-aware performance and energy efficiency, and capable of capturing the interplay among various energy-saving and resilience factors. Moreover, the models can help find the optimal HPC configuration for the highest integrated energy efficiency, in the presence of failures and applied resilience techniques.
C1 [Tan, Li; Chen, Zizhong] Univ Calif Riverside, Dept Comp Sci & Engn, Riverside, CA 92521 USA.
[Song, Shuaiwen Leon] Pacific NW Natl Lab, High Performance Comp Grp, Richland, WA 99354 USA.
RP Tan, L (reprint author), Univ Calif Riverside, Dept Comp Sci & Engn, 900 Univ Ave, Riverside, CA 92521 USA.
FU NSF [CCF-1305622, ACI-1305624, CCF-1513201]; Pacific Northwest National
Laboratory [62855]; SZSTI basic research program [JCYJ20150630114942313]
FX This work is partially supported by the NSF grants CCF-1305622,
ACI-1305624, and CCF-1513201, by the DOE/ASCR Beyond Standard Model
Project 62855 from Pacific Northwest National Laboratory, and also by
the SZSTI basic research program JCYJ20150630114942313.
NR 52
TC 0
Z9 0
U1 0
U2 4
PU ASSOC COMPUTING MACHINERY
PI NEW YORK
PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA
SN 1544-3566
EI 1544-3973
J9 ACM T ARCHIT CODE OP
JI ACM Trans. Archit. Code Optim.
PD JAN
PY 2016
VL 12
IS 4
AR 35
DI 10.1145/2822893
PG 27
WC Computer Science, Hardware & Architecture; Computer Science, Theory &
Methods
SC Computer Science
GA DA6YA
UT WOS:000367950500003
ER
PT J
AU Yoo, SY
Jin, HE
Choi, DS
Kobayashi, M
Farouz, Y
Wang, S
Lee, SW
AF Yoo, So Young
Jin, Hyo-Eon
Choi, Dong Shin
Kobayashi, Masae
Farouz, Yohan
Wang, Sky
Lee, Seung-Wuk
TI M13 Bacteriophage and Adeno-Associated Virus Hybrid for Novel Tissue
Engineering Material with Gene Delivery Functions
SO ADVANCED HEALTHCARE MATERIALS
LA English
DT Article
ID PHAGE DISPLAY; THERAPY; VECTORS; PEPTIDE; TRAIL; DNA; EXPRESSION;
CANCER; CELLS; INFECTION
AB A novel hybrid phage carrying genes from prokaryotic M13 phage and eukaryotic adeno-associated viruses can be used as a tissue engineering material with gene delivery functions. The filamentous shape of the resulting hybrid phage easily forms nanofibrous matrices, which can support cellular growth in tissue culture conditions and deliver the target programmed gene information into the target cells.
C1 [Yoo, So Young; Jin, Hyo-Eon; Choi, Dong Shin; Kobayashi, Masae; Farouz, Yohan; Wang, Sky; Lee, Seung-Wuk] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley Nanosci & Nanoengn Inst, Dept Bioengn,Berkeley Phys Biosci Div, Berkeley, CA 94720 USA.
[Yoo, So Young] Pusan Natl Univ, BIOIT Foundry Technol Inst, Pusan 609735, South Korea.
[Yoo, So Young] Res Inst Convergence Biomed Sci & Technol, Yangsan 626770, South Korea.
[Farouz, Yohan] Ecole Polytech, Dept Biol, F-91128 Palaiseau, France.
RP Yoo, SY (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley Nanosci & Nanoengn Inst, Dept Bioengn,Berkeley Phys Biosci Div, Berkeley, CA 94720 USA.
EM yoosy@pusan.ac.kr; leesw@berkeley.edu
OI Farouz, Yohan/0000-0002-7616-7793
FU Hellman Family Faculty Fund; Berkeley Nanoscience and Nanoengineering
Institute at the University of California, Berkeley; Laboratory Directed
Research and Development fund from the Lawrence Berkeley National
Laboratory; Basic Science Research Program through the National Research
Foundation of Korea (NRF) - Ministry of Science, ICT and Future Planning
[2013R1A1A3008484]; Korean Government [NRF-2014S1A2A2027641]
FX S.Y.Y. and H.-E.J. contributed equally to this work. The authors would
like to thank Professor David Schaffer for generously gifting eGFP cDNA
for cloning. This work was supported by the Hellman Family Faculty Fund
(SWL); start-up funds from the Berkeley Nanoscience and Nanoengineering
Institute at the University of California, Berkeley (SWL); the
Laboratory Directed Research and Development fund from the Lawrence
Berkeley National Laboratory; and Basic Science Research Program through
the National Research Foundation of Korea (NRF) funded by the Ministry
of Science, ICT and Future Planning (Grant No. 2013R1A1A3008484) and the
Korean Government (Grant No. NRF-2014S1A2A2027641).
NR 51
TC 5
Z9 5
U1 6
U2 21
PU WILEY
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 2192-2640
EI 2192-2659
J9 ADV HEALTHC MATER
JI Adv. Healthc. Mater.
PD JAN
PY 2016
VL 5
IS 1
SI SI
BP 88
EP +
DI 10.1002/adhm.201500179
PG 7
WC Engineering, Biomedical; Nanoscience & Nanotechnology; Materials
Science, Biomaterials
SC Engineering; Science & Technology - Other Topics; Materials Science
GA DA9QI
UT WOS:000368144200006
PM 26010471
ER
PT J
AU Miller, DC
Litynski, JT
Brickett, LA
Morreale, BD
AF Miller, David C.
Litynski, John T.
Brickett, Lynn A.
Morreale, Bryan D.
TI Toward Transformational Carbon Capture Systems
SO AICHE JOURNAL
LA English
DT Editorial Material
DE Carbon Capture; Scale-up; Multi-scale model; Simulation
ID SEQUESTRATION-PARTNERSHIPS PROGRAM; UNCERTAINTIES; COST
C1 [Miller, David C.; Brickett, Lynn A.; Morreale, Bryan D.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
[Litynski, John T.] US DOE, Off Fossil Energy, Washington, DC 20585 USA.
RP Miller, DC (reprint author), US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
EM david.miller@netl.doe.gov
NR 32
TC 6
Z9 6
U1 2
U2 10
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 2016
VL 62
IS 1
BP 2
EP 10
DI 10.1002/aic.15066
PG 9
WC Engineering, Chemical
SC Engineering
GA DA6OM
UT WOS:000367924600001
ER
PT J
AU Brown, KE
Greenfield, MT
McGrane, SD
Moore, DS
AF Brown, Kathryn E.
Greenfield, Margo T.
McGrane, Shawn D.
Moore, David S.
TI Advances in explosives analysis-part I: animal, chemical, ion, and
mechanical methods
SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY
LA English
DT Review
DE Explosives detection; Trace analysis; Explosives; Improvised explosives;
Instrumentation; Reviews
ID SURFACE-PLASMON RESONANCE; HIGHLY SENSITIVE DETECTION; MOLECULARLY
IMPRINTED POLYMERS; IONIZATION MASS-SPECTROMETRY; TRIACETONE TRIPEROXIDE
TATP; PRESSURE LASER-DESORPTION; ETHYLENE-GLYCOL DINITRATE; COLORIMETRIC
SENSOR ARRAY; FLOW FOCUSING IONIZATION; METAL-ORGANIC FRAMEWORK
AB The number and capability of explosives detection and analysis methods have increased substantially since the publication of the Analytical and Bioanalytical Chemistry special issue devoted to Explosives Analysis (Moore and Goodpaster, Anal Bioanal Chem 395(2):245-246, 2009). Here we review and critically evaluate the latest (the past five years) important advances in explosives detection, with details of the improvements over previous methods, and suggest possible avenues towards further advances in, e.g., stand-off distance, detection limit, selectivity, and penetration through camouflage or packaging. The review consists of two parts. This part, Part I, reviews methods based on animals, chemicals (including colorimetry, molecularly imprinted polymers, electrochemistry, and immunochemistry), ions (both ion-mobility spectrometry and mass spectrometry), and mechanical devices. Part II will review methods based on photons, from very energetic photons including X-rays and gamma rays down to the terahertz range, and neutrons.
C1 [Brown, Kathryn E.; Greenfield, Margo T.; McGrane, Shawn D.; Moore, David S.] Los Alamos Natl Lab, Shock & Detonat Phys Grp, Los Alamos, NM 87545 USA.
RP Moore, DS (reprint author), Los Alamos Natl Lab, Shock & Detonat Phys Grp, POB 1663, Los Alamos, NM 87545 USA.
EM moored@lanl.gov
OI Mcgrane, Shawn/0000-0002-2978-3980
FU National Nuclear Security Administration of the U.S. Department of
Energy [DE-AC52-06NA25396]
FX 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 No. DE-AC52-06NA25396. The
authors gratefully acknowledge the support of this study by Eric
Sanders.
NR 137
TC 8
Z9 8
U1 21
U2 85
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 2016
VL 408
IS 1
BP 35
EP 47
DI 10.1007/s00216-015-9040-4
PG 13
WC Biochemical Research Methods; Chemistry, Analytical
SC Biochemistry & Molecular Biology; Chemistry
GA DA7WT
UT WOS:000368016700007
PM 26462922
ER
PT J
AU Brown, KE
Greenfield, MT
McGrane, SD
Moore, DS
AF Brown, Kathryn E.
Greenfield, Margo T.
McGrane, Shawn D.
Moore, David S.
TI Advances in explosives analysis-part II: photon and neutron methods
SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY
LA English
DT Review
DE Explosives detection; Trace analysis; Explosives; Improvised explosives;
Instrumentation; Reviews
ID INDUCED BREAKDOWN SPECTROSCOPY; X-RAY-DIFFRACTION; ENHANCED
RAMAN-SPECTROSCOPY; QUANTUM CASCADE LASER; UP-CONVERSION LUMINESCENCE;
TERAHERTZ SPECTROSCOPY; STANDOFF DETECTION; ELECTROGENERATED
CHEMILUMINESCENCE; NITROAROMATIC EXPLOSIVES; ELECTROCHEMILUMINESCENCE
DETECTION
AB The number and capability of explosives detection and analysis methods have increased dramatically since publication of the Analytical and Bioanalytical Chemistry special issue devoted to Explosives Analysis [Moore DS, Goodpaster JV, Anal Bioanal Chem 395:245-246, 2009]. Here we review and critically evaluate the latest (the past five years) important advances in explosives detection, with details of the improvements over previous methods, and suggest possible avenues towards further advances in, e.g., stand-off distance, detection limit, selectivity, and penetration through camouflage or packaging. The review consists of two parts. Part I discussed methods based on animals, chemicals (including colorimetry, molecularly imprinted polymers, electrochemistry, and immunochemistry), ions (both ion-mobility spectrometry and mass spectrometry), and mechanical devices. This part, Part II, will review methods based on photons, from very energetic photons including X-rays and gamma rays down to the terahertz range, and neutrons.
C1 [Brown, Kathryn E.; Greenfield, Margo T.; McGrane, Shawn D.; Moore, David S.] Los Alamos Natl Lab, Shock & Detonat Phys Grp, Los Alamos, NM 87545 USA.
RP Moore, DS (reprint author), Los Alamos Natl Lab, Shock & Detonat Phys Grp, POB 1663, Los Alamos, NM 87545 USA.
EM moored@lanl.gov
OI Mcgrane, Shawn/0000-0002-2978-3980
FU National Nuclear Security Administration of the U.S. Department of
Energy [DE-AC52-06NA25396]
FX 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 No. DE-AC52-06NA25396. The
authors gratefully acknowledge the support of this study by Eric
Sanders.
NR 211
TC 9
Z9 9
U1 20
U2 64
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 2016
VL 408
IS 1
BP 49
EP 65
DI 10.1007/s00216-015-9043-1
PG 17
WC Biochemical Research Methods; Chemistry, Analytical
SC Biochemistry & Molecular Biology; Chemistry
GA DA7WT
UT WOS:000368016700008
PM 26446898
ER
PT J
AU Larimer, C
Winder, E
Jeters, R
Prowant, M
Nettleship, I
Addleman, RS
Bonheyo, GT
AF Larimer, Curtis
Winder, Eric
Jeters, Robert
Prowant, Matthew
Nettleship, Ian
Addleman, Raymond Shane
Bonheyo, George T.
TI A method for rapid quantitative assessment of biofilms with biomolecular
staining and image analysis
SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY
LA English
DT Article
DE Biofilm; Biofouling; Image analysis; Biomolecular stain; Biofilmgrowth
intensity
ID THRESHOLDING METHODS; QUANTIFICATION; MICROSCOPY; ALGORITHM; BACTERIA;
CELLS
AB The accumulation of bacteria in surface-attached biofilms can be detrimental to human health, dental hygiene, and many industrial processes. Natural biofilms are soft and often transparent, and they have heterogeneous biological composition and structure over micro- and macroscales. As a result, it is challenging to quantify the spatial distribution and overall intensity of biofilms. In this work, a new method was developed to enhance the visibility and quantification of bacterial biofilms. First, broad-spectrum biomolecular staining was used to enhance the visibility of the cells, nucleic acids, and proteins that make up biofilms. Then, an image analysis algorithm was developed to objectively and quantitatively measure biofilm accumulation from digital photographs and results were compared to independent measurements of cell density. This new method was used to quantify the growth intensity of Pseudomonas putida biofilms as they grew over time. This method is simple and fast, and can quantify biofilm growth over a large area with approximately the same precision as the more laborious cell counting method. Stained and processed images facilitate assessment of spatial heterogeneity of a biofilm across a surface. This new approach to biofilm analysis could be applied in studies of natural, industrial, and environmental biofilms.
C1 [Larimer, Curtis; Prowant, Matthew; Addleman, Raymond Shane] Pacific NW Natl Lab, Battelle USDOE, Richland, WA 99352 USA.
[Winder, Eric; Jeters, Robert; Bonheyo, George T.] Pacific NW Natl Lab, Marine Sci Lab, Sequim, WA 98382 USA.
[Nettleship, Ian] Univ Pittsburgh, Swanson Sch Engn, Pittsburgh, PA 15261 USA.
RP Addleman, RS (reprint author), Pacific NW Natl Lab, Battelle USDOE, POB 999,MSIN P7-50, Richland, WA 99352 USA.
EM Raymond.Addleman@pnnl.gov; George.Bonheyo@pnnl.gov
OI Bonheyo, George/0000-0001-8853-5744; Winder, Eric/0000-0003-3707-7549;
Larimer, Curtis/0000-0001-6634-5384
FU US Department of Energy [DE AC06-76RLO 1830]; Chemical Imaging
Initiative-Laboratory Directed Research and Development (CII-LDRD)
program; Wind and Water Power Program under the Office of Energy
Efficiency and Renewable Energy, US Department of Energy; Intelligence
Community Postdoctoral Research Fellowship Program
FX This research was performed at Pacific Northwest National Laboratories
(PNNL), which is operated for the US Department of Energy by Battelle
Memorial Institute under contract DE AC06-76RLO 1830. The work was
supported by the Chemical Imaging Initiative-Laboratory Directed
Research and Development (CII-LDRD) program. A portion of the work
presented here was also supported by the Wind and Water Power Program
under the Office of Energy Efficiency and Renewable Energy, US
Department of Energy. The work was also supported by a grant from the
Intelligence Community Postdoctoral Research Fellowship Program. All
statements of fact, opinion, or analysis expressed are those of the
author and do not reflect the official positions or views of the
Intelligence Community or any other US Government agency. Nothing in the
contents should be construed as asserting or implying US Government
authentication of information or Intelligence Community endorsement of
the authors' views. The authors wish to thank Jiyeon Park and Anthony
Cinson for their contributions.
NR 48
TC 0
Z9 0
U1 3
U2 11
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 2016
VL 408
IS 3
BP 999
EP 1008
DI 10.1007/s00216-015-9195-z
PG 10
WC Biochemical Research Methods; Chemistry, Analytical
SC Biochemistry & Molecular Biology; Chemistry
GA DA7XB
UT WOS:000368017600032
PM 26643074
ER
PT J
AU Hurst, KE
Parilla, PA
O'Neill, KJ
Gennett, T
AF Hurst, Katherine E.
Parilla, Philip A.
O'Neill, Kevin J.
Gennett, Thomas
TI An international multi-laboratory investigation of carbon-based hydrogen
sorbent materials
SO APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
LA English
DT Article
ID ZEOLITE-TEMPLATED CARBON; HIGH-PRESSURE; SORPTION MEASUREMENTS; SIEVERTS
METHOD; ADSORPTION; STORAGE
AB New materials are needed to achieve the hydrogen storage targets set out by the US Department of Energy for fuel cell vehicular applications. In order to enable the pathway toward this discovery, precise and accurate characterization of the hydrogen storage performance of these materials is needed. Determining the precise and accurate hydrogen storage capacity of materials requires rigorous attention to detailed experimental parameters and methodology. Slight errors in even small experimental details can result in a large deviation in the determination of the material's true characteristics. Here, we compare measurements of the gravimetric excess hydrogen uptake capacities for two different carbon sorbent materials measured by different laboratories at ambient and liquid N-2 temperatures. The participants for this study consist of research laboratories led by experienced scientists in the hydrogen storage field. This collaborative evaluation of standard sorbents illustrated considerable reproducibility over a broad range of materials' hydrogen sorption gravimetric capacities.
C1 [Hurst, Katherine E.; Parilla, Philip A.; O'Neill, Kevin J.; Gennett, Thomas] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Hurst, KE (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM katherine.hurst@nrel.gov
FU U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy, Fuel Cell Technologies Office [DE-AC36-08-GO28308]
FX The authors would like to thank the participating laboratories for their
efforts and cooperation in this study. 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-AC36-08-GO28308.
NR 16
TC 5
Z9 5
U1 0
U2 3
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0947-8396
EI 1432-0630
J9 APPL PHYS A-MATER
JI Appl. Phys. A-Mater. Sci. Process.
PD JAN
PY 2016
VL 122
IS 1
DI 10.1007/s00339-015-9537-x
PG 9
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA DA9BG
UT WOS:000368100800021
ER
PT J
AU Fischer, CR
Ruebel, O
Bowen, BP
AF Fischer, Curt R.
Ruebel, Oliver
Bowen, Benjamin P.
TI An accessible, scalable ecosystem for enabling and sharing diverse mass
spectrometry imaging analyses
SO ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS
LA English
DT Review
DE Mass spectrometry imaging; Maldi; Ipython; Jupyter; Openmsi;
Metabolomics
ID DESORPTION ELECTROSPRAY-IONIZATION; MALDI-TOF MS; SPATIAL-RESOLUTION;
TISSUE-SECTIONS; DESI; METABOLITES; STRATEGY; PYTHON; SIZE
AB Mass spectrometry imaging (MSI) is used in an increasing number of biological applications. Typical MSI datasets contain unique, high-resolution mass spectra from tens of thousands of spatial locations, resulting in raw data sizes of tens of gigabytes per sample. In this paper, we review technical progress that is enabling new biological applications and that is driving an increase in the complexity and size of MSI data. Handling such data often requires specialized computational infrastructure, software, and expertise. OpenMSI, our recently described platform, makes it easy to explore and share MSI datasets via the web - even when larger than 50 GB. Here we describe the integration of OpenMSI with IPython notebooks for transparent, sharable, and replicable MSI research. An advantage of this approach is that users do not have to share raw data along with analyses; instead, data is retrieved via OpenMSI's web API. The IPython notebook interface provides a low-barrier entry point for data manipulation that is accessible for scientists without extensive computational training. Via these notebooks, analyses can be easily shared without requiring any data movement. We provide example notebooks for several common MSI analysis types including data normalization, plotting, clustering, and classification, and image registration. Published by Elsevier Inc.
C1 [Ruebel, Oliver] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
[Fischer, Curt R.; Bowen, Benjamin P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
RP Bowen, BP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM BPBOWEN@LBL.GOV
FU Office of Science of the U.S. Department of Energy; Low-Dose Radiation
Research of the Office of Science, Office of Biological and
Environmental Research, of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX This work was supported by and uses resources of Lawrence Berkeley
National Lab's Laboratory Directed Research and Development (LDRD)
support; the National Energy Research Scientific Computing Center
(NERSC) supported by the Office of Science of the U.S. Department of
Energy; and the Low-Dose Radiation Research of the Office of Science,
Office of Biological and Environmental Research, of the U.S. Department
of Energy under Contract No. DE-AC02-05CH11231. We thank S. Cholia and
the Outreach, Software and Programming Group at NERSC for their ongoing
efforts and support to help deliver scientific data and high-performance
computing to science communities. We are thankful to Dr. Thomas Fehniger
for his contribution of the histological image, and would like to
dedicate this manuscript to his memory in recognition of his
longstanding interest, collegiality, and support to the mass
spectrometry imaging community.
NR 44
TC 2
Z9 2
U1 6
U2 16
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 0003-9861
EI 1096-0384
J9 ARCH BIOCHEM BIOPHYS
JI Arch. Biochem. Biophys.
PD JAN 1
PY 2016
VL 589
SI SI
BP 18
EP 26
DI 10.1016/j.abb.2015.08.021
PG 9
WC Biochemistry & Molecular Biology; Biophysics
SC Biochemistry & Molecular Biology; Biophysics
GA DB2ER
UT WOS:000368321600004
PM 26365033
ER
PT J
AU Masica, K
AF Masica, Ken
TI Campus Challenge, Part 2
SO ASHRAE JOURNAL
LA English
DT Article
AB The first part of this two-part article described the benefits and the challenges of implementing BACnet in large campus environments. Adopting native BACnet as a primary design requirement can be a key strategy in achieving an interoperable and flexible multivendor building automation system (BAS) that can scale to large campus installations, integrate with modern campus networking infrastructures, and address legacy equipment issues that can occur when DDC upgrades are performed by different contractors using various equipment vendors over different time frames.
C1 [Masica, Ken] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Masica, K (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
NR 0
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 2016
VL 58
IS 1
BP 60
EP 70
PG 11
WC Thermodynamics; Construction & Building Technology; Engineering,
Mechanical
SC Thermodynamics; Construction & Building Technology; Engineering
GA DA4IS
UT WOS:000367764200017
ER
PT J
AU Morrison, HL
Ma, ZB
Clem, JL
An, D
Connor, T
Schechtman-Rook, A
Casagrande, L
Rockosi, C
Yanny, B
Harding, P
Beers, TC
Johnson, JA
Schneider, DP
AF Morrison, Heather L.
Ma, Zhibo
Clem, James L.
An, Deokkeun
Connor, Thomas
Schechtman-Rook, Andrew
Casagrande, Luca
Rockosi, Constance
Yanny, Brian
Harding, Paul
Beers, Timothy C.
Johnson, Jennifer A.
Schneider, Donald P.
TI GLOBULAR AND OPEN CLUSTERS OBSERVED BY SDSS/SEGUE: THE GIANT STARS
SO ASTRONOMICAL JOURNAL
LA English
DT Article
DE globular clusters: general; open clusters and associations: general
ID DIGITAL SKY SURVEY; OLD OPEN CLUSTER; PROPER MOTIONS; GALACTIC HALO;
SDSS-III; CHEMICAL EVOLUTION; ELEMENT ABUNDANCES; DATA RELEASE; FIELD
STARS; MILKY-WAY
AB We present griz observations for the clusters M92, M13 and NGC 6791 and gr photometry for M71, Be 29 and NGC 7789. In addition we present new membership identifications for all these clusters, which have been observed spectroscopically as calibrators for the Sloan Digital Sky Survey (SDSS)/SEGUE survey; this paper focuses in particular on the red giant branch stars in the clusters. In a number of cases, these giants were too bright to be observed in the normal SDSS survey operations, and we describe the procedure used to obtain spectra for these stars. For M71, we also present a new variable reddening map and a new fiducial for the gr giant branch. For NGC 7789, we derived a transformation from T-eff to g-r for giants of near solar abundance, using IRFM T-eff measures of stars with good ugriz. and 2MASS photometry and SEGUE spectra. The result of our analysis is a robust list of known cluster members with correctly dereddened and (if needed) transformed gr photometry for crucial calibration efforts for SDSS and SEGUE.
C1 [Morrison, Heather L.; Ma, Zhibo; Connor, Thomas; Schechtman-Rook, Andrew; Harding, Paul] Case Western Reserve Univ, Dept Astron, Cleveland, OH 44106 USA.
[Clem, James L.] Grove City Coll, Dept Phys, Grove City, PA 16127 USA.
[An, Deokkeun] Ewha Womans Univ, Dept Sci Educ, Seoul 120750, South Korea.
[Casagrande, Luca] Australian Natl Univ, Mt Stromlo Observ, Res Sch Astron & Astrophys, Weston, ACT 2611, Australia.
[Rockosi, Constance] Univ Calif Santa Cruz, UCO Lick Observ, Santa Cruz, CA 95064 USA.
[Yanny, Brian] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
[Beers, Timothy C.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46656 USA.
[Johnson, Jennifer A.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA.
[Schneider, Donald P.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA.
RP Morrison, HL (reprint author), Case Western Reserve Univ, Dept Astron, Cleveland, OH 44106 USA.
EM hlm5@case.edu
FU National Science Foundation [PHYS-1066293]; Physics Frontiers
Center/Joint Institute for Nuclear Astrophysics (JINA) - U.S. National
Science Foundation [PHY 08-22648]; Alfred P. Sloan Foundation; U.S.
Department of Energy Office of Science; [AST-1009886]; [AST-121989]
FX We thank Tad Pryor for kindly sharing his unpublished velocity data for
M71 with us, and Bruce Twarog for suggesting that we use NGC 6819 to
help transform the NGC 7789 data to gr. We also thank the anonymous
referee for a very helpful report. This research used the facilities of
the Canadian Astronomy Data Centre operated by the National Research
Council of Canada with the support of the Canadian Space Agency. This
publication also makes use of data products from the Two Micron All Sky
Survey, which is a joint project of the University of Massachusetts and
the Infrared Processing and Analysis Center/California Institute of
Technology, funded by the National Aeronautics and Space Administration
and the National Science Foundation. This work was supported in part by
the National Science Foundation under Grant No. PHYS-1066293 and the
hospitality of the Aspen Center for Physics, and by grants AST-1009886
to H. L. M. and AST-121989 to H. L. M., P. H. and C.R. T. C. B.
acknowledges partial support for this work by grant PHY 08-22648:
Physics Frontiers Center/Joint Institute for Nuclear Astrophysics
(JINA), awarded by the U.S. National Science Foundation.; 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 Office of Science. The SDSS-III web site is.
http://www.sdss3.org/. 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, 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.
NR 62
TC 1
Z9 1
U1 2
U2 6
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 2016
VL 151
IS 1
AR 7
DI 10.3847/0004-6256/151/1/7
PG 16
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA DB1EN
UT WOS:000368250900007
ER
PT J
AU Yan, RB
Tremonti, C
Bershady, MA
Law, DR
Schlegel, DJ
Bundy, K
Drory, N
MacDonald, N
Bizyaev, D
Blanc, GA
Blanton, MR
Cherinka, B
Eigenbrot, A
Gunn, JE
Harding, P
Hogg, DW
Sanchez-Gallego, JR
Sanchez, SF
Wake, DA
Weijmans, AM
Xiao, T
Zhang, K
AF Yan, Renbin
Tremonti, Christy
Bershady, Matthew A.
Law, David R.
Schlegel, David J.
Bundy, Kevin
Drory, Niv
MacDonald, Nicholas
Bizyaev, Dmitry
Blanc, Guillermo A.
Blanton, Michael R.
Cherinka, Brian
Eigenbrot, Arthur
Gunn, James E.
Harding, Paul
Hogg, David W.
Sanchez-Gallego, Jose R.
Sanchez, Sebastian F.
Wake, David A.
Weijmans, Anne-Marie
Xiao, Ting
Zhang, Kai
TI SDSS-IV/MaNGA: SPECTROPHOTOMETRIC CALIBRATION TECHNIQUE
SO ASTRONOMICAL JOURNAL
LA English
DT Article
DE atmospheric effects; methods: observational; surveys; techniques:
imaging spectroscopy
ID DIGITAL SKY SURVEY; 2.5 M TELESCOPE; GALAXY SURVEY; DATA RELEASE;
ULTRAVIOLET; ABUNDANCES; STANDARDS; CALIFA; STAR
AB Mapping Nearby Galaxies at Apache Point Observatory (MaNGA), one of three core programs in the Sloan Digital Sky Survey-IV, is an integral-field spectroscopic survey of roughly 10,000 nearby galaxies. It employs dithered observations using 17 hexagonal bundles of 2'' fibers to obtain resolved spectroscopy over a wide wavelength range of 3600-10300 angstrom. To map the internal variations within each galaxy, we need to perform accurate spectral surface photometry, which is to calibrate the specific intensity at every spatial location sampled by each individual aperture element of the integral field unit. The calibration must correct only for the flux loss due to atmospheric throughput and the instrument response, but not for losses due to the finite geometry of the fiber aperture. This requires the use of standard star measurements to strictly separate these two flux loss factors (throughput versus geometry), a difficult challenge with standard single-fiber spectroscopy techniques due to various practical limitations. Therefore, we developed a technique for spectral surface photometry using multiple small fiber-bundles targeting standard stars simultaneously with galaxy observations. We discuss the principles of our approach and how they compare to previous efforts, and we demonstrate the precision and accuracy achieved. MaNGA's relative calibration between the wavelengths of H alpha and H beta has an rms of 1.7%, while that between [N II] lambda 6583 and [O II] lambda 3727 has an rms of 4.7%. Using extinction-corrected star formation rates and gas-phase metallicities as an illustration, this level of precision guarantees that flux calibration errors will be sub-dominant when estimating these quantities. The absolute calibration is better than 5% for more than 89% of MaNGA's wavelength range.
C1 [Yan, Renbin; Sanchez-Gallego, Jose R.; Zhang, Kai] Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA.
[Tremonti, Christy; Bershady, Matthew A.; Eigenbrot, Arthur; Wake, David A.] Univ Wisconsin, Dept Astron, Madison, WI 53706 USA.
[Law, David R.] Space Telescope Sci Inst, Baltimore, MD 21218 USA.
[Schlegel, David J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94720 USA.
[Bundy, Kevin] Univ Tokyo, UTIAS, Kavli IPMU WPI, Kashiwa, Chiba 2778583, Japan.
[Drory, Niv] Univ Texas Austin, Dept Astron, McDonald Observ, Austin, TX 78712 USA.
[MacDonald, Nicholas] Univ Washington, Dept Astron, Seattle, WA 98195 USA.
[Bizyaev, Dmitry] Apache Point Observ, Sunspot, NM 88349 USA.
[Bizyaev, Dmitry] Moscow MV Lomonosov State Univ, Sternberg Astron Inst, Moscow, Russia.
[Blanc, Guillermo A.] Univ Chile, Dept Astron, Santiago, Chile.
[Blanc, Guillermo A.] CATA, Santiago, Chile.
[Blanc, Guillermo A.] Observ Carnegie Inst Sci, Pasadena, CA 91101 USA.
[Blanton, Michael R.; Hogg, David W.] New York Univ, Dept Phys, Ctr Cosmol & Particle Phys, New York, NY 10003 USA.
[Cherinka, Brian] Univ Toronto, Dunlap Inst Astron & Astrophys, Toronto, ON M55 3H4, Canada.
[Gunn, James E.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA.
[Harding, Paul] Case Western Reserve Univ, Dept Astron, Cleveland, OH 44106 USA.
[Sanchez, Sebastian F.] Univ Nacl Autonoma Mexico, Inst Astron, Mexico City 04510, DF, Mexico.
[Wake, David A.] Open Univ, Dept Phys Sci, Milton Keynes MK7 6AA, Bucks, England.
[Weijmans, Anne-Marie] Univ St Andrews, Dept Phys & Astron, St Andrews KY16 9SS, Fife, Scotland.
[Xiao, Ting] Shanghai Astron Observ, Shanghai 200030, Peoples R China.
RP Yan, RB (reprint author), Univ Kentucky, Dept Phys & Astron, 505 Rose St, Lexington, KY 40506 USA.
EM yanrenbin@uky.edu
RI Blanc, Guillermo/I-5260-2016; Xiao, Ting/Q-1022-2016
FU Leverhulme Trust Early Career Fellowship; National Science Foundation;
U.S. Department of Energy Office of Science; Alfred P. Sloan Foundation;
Center for High-Performance Computing at the University of Utah;
Brazilian Participation Group; Carnegie Institution for Science,
Carnegie Mellon University; Chilean Participation Group; French
Participation Group; Harvard-Smithsonian Center for Astrophysics,
Instituto de Astrofisica de Canarias; Johns Hopkins University, Kavli
Institute for the Physics and Mathematics of the universe
(IPMU)/University of Tokyo; Lawrence Berkeley National Laboratory;
Leibniz Institut fur Astrophysik Potsdam (AIP); Max-Planck-Institut fur
Astronomie (MPIA Heidelberg); Max-Planck-Institut fur Astrophysik (MPA
Garching); Max-Planck-Institut fur Extraterrestrische Physik (MPE);
National Astronomical Observatory of China; New Mexico State University;
New York University; University of Notre Dame; Observatrio
Nacional/MCTI; Ohio State University; Pennsylvania State University;
Shanghai Astronomical Observatory; United Kingdom Participation Group;
Universidad Nacional Autonoma de Mexico; University of Arizona;
University of Colorado Boulder; University of Oxford; University of
Portsmouth; University of Utah; University of Virginia; University of
Washington; University of Wisconsin; Vanderbilt University; Yale
University; [RSF 14-50-00043]
FX We thank the referee for the very useful comments which helped improve
the paper. A.W. acknowledges support of a Leverhulme Trust Early Career
Fellowship. D.B. acknowledges support by grant RSF 14-50-00043.; This
project made use of data taken in both SDSS-III and SDSS-IV. 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 Office of Science. Funding for the Sloan
Digital Sky Survey IV has been provided by the Alfred P. Sloan
Foundation, the U.S. Department of Energy Office of Science, and the
Participating Institutions. SDSS- IV acknowledges support and resources
from the Center for High-Performance Computing at the University of
Utah. The SDSS web site is www.sdss.org. SDSS is managed by the
Astrophysical Research Consortium for the Participating Institutions in
both collaborations. In SDSS-III these include the University of
Arizona, the Brazilian Participation Group, Brookhaven National
Laboratory, 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.; The Participating
Institutions in SDSS-IV include the Brazilian Participation Group, the
Carnegie Institution for Science, Carnegie Mellon University, the
Chilean Participation Group, the French Participation Group,
Harvard-Smithsonian Center for Astrophysics, Instituto de Astrofisica de
Canarias, The Johns Hopkins University, Kavli Institute for the Physics
and Mathematics of the universe (IPMU)/University of Tokyo, Lawrence
Berkeley National Laboratory, Leibniz Institut fur Astrophysik Potsdam
(AIP), Max-Planck-Institut fur Astronomie (MPIA Heidelberg),
Max-Planck-Institut fur Astrophysik (MPA Garching), Max-Planck-Institut
fur Extraterrestrische Physik (MPE), National Astronomical Observatory
of China, New Mexico State University, New York University, University
of Notre Dame, Observatrio Nacional/MCTI, The Ohio State University,
Pennsylvania State University, Shanghai Astronomical Observatory, United
Kingdom Participation Group, Universidad Nacional Autonoma de Mexico,
University of Arizona, University of Colorado Boulder, University of
Oxford, University of Portsmouth, University of Utah, University of
Virginia, University of Washington, University of Wisconsin, Vanderbilt
University, and Yale University.
NR 33
TC 12
Z9 12
U1 2
U2 4
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 2016
VL 151
IS 1
AR 8
DI 10.3847/0004-6256/151/1/8
PG 18
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA DB1EN
UT WOS:000368250900008
ER
PT J
AU Dawson, WA
Schneider, MD
Tyson, JA
Jee, MJ
AF Dawson, William A.
Schneider, Michael D.
Tyson, J. Anthony
Jee, M. James
TI THE ELLIPTICITY DISTRIBUTION OF AMBIGUOUSLY BLENDED OBJECTS
SO ASTROPHYSICAL JOURNAL
LA English
DT Article
DE cosmology: miscellaneous; galaxies: general; gravitational lensing: weak
ID SHAPE MEASUREMENT; SHEAR ESTIMATION; DEEP FIELD; LUMINOSITY; EVOLUTION;
CONFUSION; GALAXIES; DENSITY; PROJECT; SYSTEM
AB Using overlapping fields with space-based Hubble Space Telescope and ground-based Subaru Telescope imaging we identify a population of blended galaxies that are blended to such a large degree that they are detected as single objects in the ground-based monochromatic imaging, which we label "ambiguous blends." For deep imaging data, such as the depth targeted with the Large Synoptic Survey Telescope (LSST), the ambiguous blend population is both large (similar to 14%) and has a distribution of ellipticities that is different from that of unblended objects in a way that will likely be important for weak lensing measurements. Most notably, for a limiting magnitude of i similar to 27 we find that ambiguous blending results in a similar to 14% increase in shear noise (or an similar to 12% decrease in the effective projected number density of lensed galaxies; n(eff)) due to (1) larger intrinsic ellipticity dispersion, and (2) a scaling with the galaxy number density N-gal that is shallower than 1/root N-gal. For the LSST Gold Sample (i < 25.3) there is a similar to 7% increase in shear noise (or similar to 7% decrease in n(eff)). More importantly than these increases in the shear noise, we find that the ellipticity distribution of ambiguous blends has an rms that is 13% larger than that of non-blended galaxies. Given the need of future weak lensing surveys to constrain the ellipticity distribution of galaxies to better than a percent in order to mitigate cosmic shear multiplicative biases, if it is unaccounted for, the different ellipticity distribution of ambiguous blends could be a dominant systematic.
C1 [Dawson, William A.; Schneider, Michael D.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
[Schneider, Michael D.; Tyson, J. Anthony; Jee, M. James] Univ Calif Davis, Davis, CA 95616 USA.
RP Dawson, WA (reprint author), Lawrence Livermore Natl Lab, POB 808 L-210, Livermore, CA 94551 USA.
EM will@dawsonresearch.com
FU U.S. DOE, LLNL [DE-AC52-07NA27344]; NSF [AST-1108893]; DOE
[DE-SC0009999]; NASA through a grant from STScI [GO-12377]; NASA
[NAS5-26555]
FX We thank the LSST DESC members for many valuable conversations related
to this work, in particular David Kirkby and Andrew Bradshaw. Part of
this work was performed under the auspices of the U.S. DOE by LLNL under
contract DE-AC52-07NA27344. This material is based upon work supported
by the NSF under grant No. AST-1108893 and DOE under grant DE-SC0009999.
Support for program number GO-12377 was provided by NASA through a grant
from STScI, which is operated by AURA, under NASA contract NAS5-26555.
This work is based in part on data collected at the Subaru Telescope,
which is operated by NOAJ.
NR 30
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 2016
VL 816
IS 1
AR 11
DI 10.3847/0004-637X/816/1/11
PG 10
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA DB0VH
UT WOS:000368225100011
ER
PT J
AU Li, TL
Zhou, XB
Wang, K
Zhao, DF
Sadooghi, I
Zhang, Z
Raicu, I
AF Li, Tonglin
Zhou, Xiaobing
Wang, Ke
Zhao, Dongfang
Sadooghi, Iman
Zhang, Zhao
Raicu, Ioan
TI A convergence of key-value storage systems from clouds to supercomputers
SO CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE
LA English
DT Article
DE NoSQL database; distributed key-value store; supercomputer; cloud
computing
AB This paper presents a convergence of distributed key-value storage systems in clouds and supercomputers. It specifically presents ZHT, a zero-hop distributed key-value store system, which has been tuned for the requirements of high-end computing systems. ZHT aims to be a building block for future distributed systems, such as parallel and distributed file systems, distributed job management systems, and parallel programming systems. ZHT has some important properties, such as being lightweight, dynamically allowing nodes join and leave, fault tolerant through replication, persistent, scalable, and supporting unconventional operations such as append, compare and swap, callback in addition to the traditional insert/lookup/remove. We have evaluated ZHT's performance under a variety of systems, ranging from a Linux cluster with 64 nodes, an Amazon EC2 virtual cluster up to 96 nodes, to an IBM Blue Gene/P supercomputer with 8K nodes. We compared ZHT against other key-value stores and found it offers superior performance for the features and portability it supports. This paper also presents several real systems that have adopted ZHT, namely, FusionFS (a distributed file system), IStore (a storage system with erasure coding), MATRIX (distributed scheduling), Slurm++ (distributed HPC job launch), Fabriq (distributed message queue management); all of these real systems have been simplified because of key-value storage systems and have been shown to outperform other leading systems by orders of magnitude in some cases. It is important to highlight that some of these systems are rooted in HPC systems from supercomputers, while others are rooted in clouds and ad hoc distributed systems; through our work, we have shown how versatile key-value storage systems can be in such a variety of environments. Copyright (c) 2015 John Wiley & Sons, Ltd.
C1 [Li, Tonglin; Wang, Ke; Zhao, Dongfang; Sadooghi, Iman; Raicu, Ioan] IIT, Dept Comp Sci, Chicago, IL 60616 USA.
[Raicu, Ioan] Argonne Natl Lab, MCS Div, Lemont, IL USA.
[Zhou, Xiaobing] Hortonworks, Palo Alto, CA USA.
[Zhang, Zhao] Univ Calif Berkeley, AMP Lab, Berkeley, CA 94720 USA.
RP Li, TL (reprint author), IIT, Dept Comp Sci, Chicago, IL 60616 USA.
EM tli13@hawk.iit.edu
FU National Science Foundation [NSF-1054974]; Office of Science of the U.S.
Department of Energy [DE- AC02-06CH11357]; Amazon EC2 cloud research
grant
FX This work was supported in part by the National Science Foundation grant
NSF-1054974. This research used resources 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. This research used Amazon EC2 cloud research grant.
NR 60
TC 0
Z9 0
U1 2
U2 3
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 2016
VL 28
IS 1
BP 44
EP 69
DI 10.1002/cpe.3614
PG 26
WC Computer Science, Software Engineering; Computer Science, Theory &
Methods
SC Computer Science
GA DA8WB
UT WOS:000368086200003
ER
PT J
AU Wang, K
Qiao, K
Sadooghi, I
Zhou, XB
Li, TL
Lang, M
Raicu, I
AF Wang, Ke
Qiao, Kan
Sadooghi, Iman
Zhou, Xiaobing
Li, Tonglin
Lang, Michael
Raicu, Ioan
TI Load-balanced and locality-aware scheduling for data-intensive workloads
at extreme scales
SO CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE
LA English
DT Article
DE data-intensive computing; data-aware scheduling; work stealing;
key-value stores; many-task computing
AB Data-driven programming models such as many-task computing (MTC) have been prevalent for running data-intensive scientific applications. MTC applies over-decomposition to enable distributed scheduling. To achieve extreme scalability, MTC proposes a fully distributed task scheduling architecture that employs as many schedulers as the compute nodes to make scheduling decisions. Achieving distributed load balancing and best exploiting data locality are two important goals for the best performance of distributed scheduling of data-intensive applications. Our previous research proposed a data-aware work-stealing technique to optimize both load balancing and data locality by using both dedicated and shared task ready queues in each scheduler. Tasks were organized in queues based on the input data size and location. Distributed key-value store was applied to manage task metadata. We implemented the technique in MATRIX, a distributed MTC task execution framework. In this work, we devise an analytical suboptimal upper bound of the proposed technique, compare MATRIX with other scheduling systems, and explore the scalability of the technique at extreme scales. Results show that the technique is not only scalable but can achieve performance within 15% of the suboptimal solution. Copyright (c) 2015 John Wiley & Sons, Ltd.
C1 [Wang, Ke; Sadooghi, Iman; Li, Tonglin; Raicu, Ioan] IIT, Dept Comp Sci, Chicago, IL 60616 USA.
[Qiao, Kan] Google Inc, Seattle, WA 98103 USA.
[Zhou, Xiaobing] Hortonworks Inc, Santa Clara, CA USA.
[Lang, Michael] Los Alamos Natl Lab, Los Alamos, NM USA.
[Raicu, Ioan] Argonne Natl Lab, Lemont, IL USA.
RP Wang, K (reprint author), IIT, Dept Comp Sci, 10 W 31st St,Stuart Bldg,Room 002, Chicago, IL 60616 USA.
EM kwang22@hawk.iit.edu
FU U.S. Department of Energy [DE-FC02-06ER25750]; National Science
Foundation (NSF) [OCI-1054974, CNS-1042543]
FX This work was supported by the U.S. Department of Energy under the
contract DE-FC02-06ER25750 and by the National Science Foundation (NSF)
under grant OCI-1054974, and also in part by the National Science
Foundation (NSF) under the award CNS-1042543 (PRObE,
http://www.nmc-probe.org/).
NR 75
TC 2
Z9 2
U1 0
U2 5
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 2016
VL 28
IS 1
BP 70
EP 94
DI 10.1002/cpe.3617
PG 25
WC Computer Science, Software Engineering; Computer Science, Theory &
Methods
SC Computer Science
GA DA8WB
UT WOS:000368086200004
ER
PT J
AU Terban, MW
Cheung, EY
Krolikowski, P
Billinge, SJL
AF Terban, Maxwell W.
Cheung, Eugene Y.
Krolikowski, Paul
Billinge, Simon J. L.
TI Recrystallization, Phase Composition, and Local Structure of Amorphous
Lactose from the Total Scattering Pair Distribution Function
SO CRYSTAL GROWTH & DESIGN
LA English
DT Article
ID X-RAY-DIFFRACTION; GLASS-TRANSITION TEMPERATURE; SPRAY-DRIED LACTOSE;
SOLID-STATE NMR; ALPHA-LACTOSE; PHARMACEUTICAL SOLIDS; CRYSTALLIZATION
KINETICS; POWDER DIFFRACTION; MOISTURE SORPTION; RELATIVE-HUMIDITY
AB Total scattering pair distribution function (TSPDF) analysis of synchrotron X-ray diffraction data has been used to study the structural characteristics of amorphous lactose and its subsequent recrystallization on aging. This shows that the recrystallization kinetics vary substantially between spray dried, lyophilized, and melt quenched samples aged at 40 degrees C/75% relative humidity (RH), although all samples consistently form the stable a monohydrate when crystallization does occur. Using TSPDF it was possible to quantify the amount of amorphous and crystalline phases present, as well as to extract other structural information such as crystallite size, as a function of time during aging from the different starting materials. We also were able to determine a correlation between a higher degree of local molecular ordering in the amorphous phase with decreased stability against recrystallization. This study shows the rich information that may be obtained from a TSPDF analysis of recrystallization from the amorphous state in organic systems.
C1 [Terban, Maxwell W.; Billinge, Simon J. L.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA.
[Cheung, Eugene Y.; Krolikowski, Paul] Amgen Inc, Cambridge, MA 02142 USA.
[Billinge, Simon J. L.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
RP Billinge, SJL (reprint author), Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA.
EM sb2896@columbia.edu
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-98CH10886]; US National Science Foundation
[DMR-1216643]
FX Use of the National Synchrotron Light Source, Brookhaven National
Laboratory, was supported by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, under Contract No.
DE-AC02-98CH10886. Work at Columbia U. was supported in part by the US
National Science Foundation through award DMR-1216643.
NR 59
TC 1
Z9 1
U1 10
U2 21
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 2016
VL 16
IS 1
BP 210
EP 220
DI 10.1021/acs.cgd.5b01100
PG 11
WC Chemistry, Multidisciplinary; Crystallography; Materials Science,
Multidisciplinary
SC Chemistry; Crystallography; Materials Science
GA DA7CY
UT WOS:000367963400023
ER
PT J
AU Wang, SM
Yu, XH
Zhang, JZ
Wang, LP
Leinenweber, K
He, DW
Zhao, YS
AF Wang, Shanmin
Yu, Xiaohui
Zhang, Jianzhong
Wang, Liping
Leinenweber, Kurt
He, Duanwei
Zhao, Yusheng
TI Synthesis, Hardness, and Electronic Properties of Stoichiometric VN and
CrN
SO CRYSTAL GROWTH & DESIGN
LA English
DT Article
ID TRANSITION-METAL NITRIDES; RAY PHOTOEMISSION SPECTRA; SINGLE-CRYSTAL
GROWTH; HIGH-PRESSURE; GALLIUM NITRIDE; TIN; SEMICONDUCTOR;
SPECTROSCOPY; POLYMORPHS; DEPOSITION
AB We report synthesis of single-crystal VN and CrN through high-pressure ionexchange reaction routes. The final products are stoichiometric and have crystallite sizes in the range of 50-120 mu m. We also prepared VN and TiN crystals using high-pressure sintering of nitride powders. On the basis of single-crystal indentation testing, the determined asymptotic Vickers hardness for TiN, VN, and CrN is 18 (1), 10 (1), and 16 (1) GPa, respectively. The relatively low hardness in VN indicates that the metallic bonding prevails due to the overfilled metallic a bonds, although the cation-anion covalent hybridization in this compound is much stronger than that in TiN and CrN. All three nitrides are intrinsically excellent metals at ambient pressure. In particular, VN exhibits superconducting transition at T-c approximate to 7.8 K, which is slightly lower than the reported values for nitrogen-deficient or crystallinedisordered samples due to unsuppressed "spin fluctuation" in the well-crystallized stoichiometric VN. The magnetostructural transition in CrN correlates with a metal metal transition at T-N = 240(5) K and is accompanied by a similar to 40% drop in electrical resistivity. In addition, more detailed electronic properties are presented with new insights into these nitrides.
C1 [Wang, Shanmin; Wang, Liping; Zhao, Yusheng] Univ Nevada, HiPSEC, Las Vegas, NV 89154 USA.
[Wang, Shanmin; Wang, Liping; Zhao, Yusheng] Univ Nevada, Dept Phys, Las Vegas, NV 89154 USA.
[Wang, Shanmin; He, Duanwei] Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China.
[Yu, Xiaohui] Chinese Acad Sci, Inst Phys, Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China.
[Zhang, Jianzhong] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
[Leinenweber, Kurt] Arizona State Univ, Sch Mol Sci, Tempe, AZ 85287 USA.
RP Wang, SM (reprint author), Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA.
EM ShanminWang@gmail.com; Yusheng.Zhao@UNLV.edu
OI Zhang, Jianzhong/0000-0001-5508-1782
FU UNLV High Pressure Science and Engineering Center (HiPSEC); DOE NNSA
Center of Excellence [DE-FC52-06NA27684]; UNLV; China 973 Program; NNSF
of China [2011CB808205, 11427810, 51472171]
FX This work is supported by UNLV High Pressure Science and Engineering
Center (HiPSEC), which is a DOE NNSA Center of Excellence operated under
Cooperative Agreement DE-FC52-06NA27684, and UNLV startup funding to
Y.Z. This work was partially supported by the China 973 Program and NNSF
of China (Grant Nos. 2011CB808205, 11427810, and 51472171). We also
thank M. Chen for help on the sample synthesis and XPS measurement.
NR 68
TC 2
Z9 2
U1 12
U2 56
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 2016
VL 16
IS 1
BP 351
EP 358
DI 10.1021/acs.cgd.5b01312
PG 8
WC Chemistry, Multidisciplinary; Crystallography; Materials Science,
Multidisciplinary
SC Chemistry; Crystallography; Materials Science
GA DA7CY
UT WOS:000367963400039
ER
PT J
AU Radmilovic, VV
Kacher, J
Ivanovic, ER
Minor, AM
Radmilovic, VR
AF Radmilovic, Vuk V.
Kacher, Josh
Ivanovic, Evica R.
Minor, Andrew M.
Radmilovic, Velimir R.
TI Multiple Twinning and Stacking Faults in Silver Dendrites
SO CRYSTAL GROWTH & DESIGN
LA English
DT Article
ID ENHANCED RAMAN-SCATTERING; METAL NANOPARTICLES; OPTICAL-PROPERTIES;
FACILE SYNTHESIS; GERMANIUM DENDRITES; GROWTH-MECHANISM; BINARY ALLOY;
NANOCRYSTALS; DISPLACEMENT; NANOPRISMS
AB Detailed defect structure of dendrite formation was studied in order to connect the mesoscopic with the atomistic structure. It was demonstrated that twinning and stacking fault formation play a central role in the growth of electrodeposited Ag dendrites. The broad faces of Ag dendrites and the main trunk growth direction were found to be ((1) over bar 11) and [(1) over bar1 (2) over bar], respectively. Dendrite branches also formed and grew from the main trunk parallel to the [12 (1) over bar] and [(211) over bar] crystallographic directions. Twins and stacking faults were found to reside on the {111} crystallographic planes, as expected for a face centered cubic (FCC) Ag crystal. Using electron back scattered diffraction (EBSD) we found two variants of in-plane 60 degrees rotational twin domains in the ((1) over bar 11) broad dendrite surface plane. The intersections of twins and stacking faults with dendrite arm surfaces are perpendicular to the (112) arm growth directions. However, occasionally twins on the {111} planes parallel to the (112) arm growth directions were also observed. Although defect assisted dendrite growth is facilitated by twinning and stacking fault formation on {111} planes, the growth directions of the trunk and branches are not of the (111) type, but rather close to (112). The (112) growth directions are maintained by breaking dendrite facets into thermodynamically stable 111 and 200 steps and structural ledges of different length.
C1 [Radmilovic, Vuk V.] Univ Belgrade, Fac Technol & Met, Innovat Ctr, Belgrade 11120, Serbia.
[Kacher, Josh] Georgia Inst Technol, Dept Mat Sci & Engn, Atlanta, GA 30332 USA.
[Ivanovic, Evica R.] Univ Belgrade, Fac Agr, Belgrade 11000, Serbia.
[Minor, Andrew M.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Minor, Andrew M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Natl Ctr Elect Microscopy, Berkeley, CA 94720 USA.
[Radmilovic, Velimir R.] Univ Belgrade, Fac Technol & Met, Belgrade 11120, Serbia.
[Radmilovic, Velimir R.] Serbian Acad Arts & Sci, Belgrade 11000, Serbia.
RP Radmilovic, VV (reprint author), Univ Belgrade, Fac Technol & Met, Innovat Ctr, Karnegijeva 4, Belgrade 11120, Serbia.
EM vukradmilovic@tmf.bg.ac.rs
FU Ministry of Education, Science and Technological Development of the
Republic of Serbia [11145019, 172054]; Serbian Academy of Sciences and
Arts [F-141]; Office of Science, Office of Basic Energy Sciences, of the
U.S. Department of Energy [DE-AC02-05CH11231]
FX V.V.R. and V.R.R. acknowledge support by the Ministry of Education,
Science and Technological Development of the Republic of Serbia, under
contract Nos. 11145019 and 172054, respectively. V.R.R. acknowledges
support by Serbian Academy of Sciences and Arts under contract #F-141.
Electron microscopy was performed at the Molecular Foundry, 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.
NR 55
TC 2
Z9 2
U1 8
U2 25
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 2016
VL 16
IS 1
BP 467
EP 474
DI 10.1021/acs.cgd.5b01459
PG 8
WC Chemistry, Multidisciplinary; Crystallography; Materials Science,
Multidisciplinary
SC Chemistry; Crystallography; Materials Science
GA DA7CY
UT WOS:000367963400052
ER
PT J
AU Ternette, N
Yang, HB
Partridge, T
Llano, A
Cedeno, S
Fischer, R
Charles, PD
Dudek, NL
Mothe, B
Crespo, M
Fischer, WM
Korber, BTM
Nielsen, M
Borrow, P
Purcell, AW
Brander, C
Dorrell, L
Kessler, BM
Hanke, T
AF Ternette, Nicola
Yang, Hongbing
Partridge, Thomas
Llano, Anuska
Cedeno, Samandhy
Fischer, Roman
Charles, Philip D.
Dudek, Nadine L.
Mothe, Beatriz
Crespo, Manuel
Fischer, William M.
Korber, Bette T. M.
Nielsen, Morten
Borrow, Persephone
Purcell, Anthony W.
Brander, Christian
Dorrell, Lucy
Kessler, Benedikt M.
Hanke, Tomas
TI Defining the HLA class I-associated viral antigen repertoire from
HIV-1-infected human cells
SO EUROPEAN JOURNAL OF IMMUNOLOGY
LA English
DT Article
DE Cytotoxic T cells; Human immunodeficiency virus type I; Human leukocyte
antigen; Immunopeptidome; Mass spectrometry
ID MHC CLASS-I; HUMAN-IMMUNODEFICIENCY-VIRUS; T-CELLS; PEPTIDE EPITOPES;
RESPONSES; HIV-1; LENGTH; IMMUNODOMINANCE; QUANTITATION; LYMPHOCYTES
AB Recognition and eradication of infected cells by cytotoxic T lymphocytes is a key defense mechanism against intracellular pathogens. High-throughput definition of HLA class I-associated immunopeptidomes by mass spectrometry is an increasingly important analytical tool to advance our understanding of the induction of T-cell responses against pathogens such as HIV-1. We utilized a liquid chromatography tandem mass spectrometry workflow including de novo-assisted database searching to define the HLA class I-associated immunopeptidome of HIV-1-infected human cells. We here report for the first time the identification of 75 HIV-1-derived peptides bound to HLA class I complexes that were purified directly from HIV-1-infected human primary CD4(+) T cells and the C8166 human T-cell line. Importantly, one-third of eluted HIV-1 peptides had not been previously known to be presented by HLA class I. Over 82% of the identified sequences originated from viral protein regions for which T-cell responses have previously been reported but for which the precise HLA class I-binding sequences have not yet been defined. These results validate and expand the current knowledge of virus-specific antigenic peptide presentation during HIV-1 infection and provide novel targets for T-cell vaccine development.
C1 [Ternette, Nicola; Borrow, Persephone; Dorrell, Lucy; Hanke, Tomas] Univ Oxford, Nuffield Dept Med, Jenner Inst, Oxford OX3 7FZ, England.
[Ternette, Nicola; Partridge, Thomas; Fischer, Roman; Charles, Philip D.; Kessler, Benedikt M.] Univ Oxford, Nuffield Dept Med, Target Discovery Inst, Oxford OX3 7FZ, England.
[Yang, Hongbing; Dorrell, Lucy] NIHR Oxford Biomed Res Ctr, Oxford, England.
[Yang, Hongbing; Partridge, Thomas; Borrow, Persephone; Dorrell, Lucy] Univ Oxford, Nuffield Dept Med, Oxford OX3 7FZ, England.
[Llano, Anuska; Cedeno, Samandhy; Mothe, Beatriz; Brander, Christian] Autonomous Univ Barcelona, HIVACAT, Irsicaixa AIDS Res Inst, Badalona, Spain.
[Dudek, Nadine L.; Purcell, Anthony W.] Monash Univ, Dept Biochem & Mol Biol, Clayton, Vic, Australia.
[Mothe, Beatriz] Hosp Badalona Germans Trias & Pujol, Lluita Sida Fdn, Badalona, Spain.
[Mothe, Beatriz; Brander, Christian] Univ Vic, Univ Cent Catalunya, Vic, Spain.
[Crespo, Manuel] Hosp Valle De Hebron, HIV Unit, Barcelona, Spain.
[Fischer, William M.; Korber, Bette T. M.] Los Alamos Natl Lab, Theoret Biol, Grp T 6, Los Alamos, NM USA.
[Nielsen, Morten] Tech Univ Denmark, Dept Syst Biol, Ctr Biol Sequence Anal, DK-2800 Lyngby, Denmark.
[Brander, Christian] Inst Catalana Recerca & Estudis Avancats, Barcelona, Spain.
RP Ternette, N (reprint author), Univ Oxford, Nuffield Dept Med, Jenner Inst, Oxford OX3 7FZ, England.
EM nicola.ternette@ndm.ox.ac.uk
RI Nielsen, Morten/E-7754-2011;
OI Nielsen, Morten/0000-0001-7885-4311; Korber, Bette/0000-0002-2026-5757;
Ternette, Nicola/0000-0002-9283-0743; Purcell,
Anthony/0000-0003-0532-8331; Fischer, Roman/0000-0002-9715-5951;
Kessler, Benedikt/0000-0002-8160-2446
FU Medical Research Council (MRC) [G1001757, K012037]; UK Department for
International Development (DFID) under the MRC/DFID; HIVACAT programme;
Ministerio de Ciencia y Tecnologia, Spain [MTM2008-06747-C02-00, FIPSE
36-0737-0]; Instituto de Salud Carlos III (FIS, Rio Hortega)
[CM08/00020]; National Health and Medical Research Council of Australia
[1044215]
FX This work was jointly funded by the Medical Research Council (MRC,
project grant G1001757 to T.H. and B.M.K.) and the UK Department for
International Development (DFID) under the MRC/DFID Concordant
agreement. The project was further supported by the MRC programme grant
K012037 to P.B., and the HIVACAT programme and grant to C.B.
MTM2008-06747-C02-00 (GG) from the Ministerio de Ciencia y Tecnologia,
Spain, FIPSE 36-0737-0. N.T. is a Nuffield Department of Medicine
Leadership Fellow, B.M. is supported by a research fellowship grant from
the Instituto de Salud Carlos III (FIS, Rio Hortega, CM08/00020), and is
at present time a Joan Rodes investigator (JR13/00024), Madrid, Spain.
A.W.P. is supported by a senior research fellowship from the National
Health and Medical Research Council of Australia (1044215). T.H., L.D.,
and P.B. are Jenner Institute Investigators.
NR 38
TC 5
Z9 5
U1 3
U2 6
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0014-2980
EI 1521-4141
J9 EUR J IMMUNOL
JI Eur. J. Immunol.
PD JAN
PY 2016
VL 46
IS 1
BP 60
EP 69
DI 10.1002/eji.201545890
PG 10
WC Immunology
SC Immunology
GA DB0YO
UT WOS:000368234800009
PM 26467324
ER
PT J
AU Ponou, S
Doverbratt, I
Lidin, S
Miller, GJ
AF Ponou, Simeon
Doverbratt, Isa
Lidin, Sven
Miller, Gordon J.
TI Structure and Bonding of an Intergrowth Phase Ca7Ag2+xGe7-x (x
approximate to 2/3) Featuring a Zintl-Type Polyanionic Chain
SO EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
LA English
DT Article
DE Zintl phases; Intermetallic compounds; Germanium; Electronic structure;
Coloring problem
ID ELECTRONIC-STRUCTURE; CRYSTAL-STRUCTURE; SOLIDS; METAL; DENSITY;
CLUSTER; LITHIUM
AB Single crystals of a new ternary phase, Ca7Ag2+xGe7-x [x = 0.48(3)], were obtained from as side-product of high-temperature solid-state reactions, and its crystal structure determined by X-ray diffraction methods. Following the Zintl concept, the anionic substructure consists of a novel pentameric Zintl anion [Ge-5](12-) with C-2v local symmetry, as well as [AgxGe2-x]((6-3x)-) units accounting for [Ge-2](6-) dimers and isolated Ge4- (and Ag+) species sharing the same atomic sites. DFT-level band structure calculations were carried out on a hypothetical, fully ordered model (x = 0). We found that the electronic structure associated with the planar W-shaped [Ge-5](12-) polyanions is more suited to optimize the structure's stability than the helical configuration of the isoelectronic [Se-5](2-), in the context of incomplete charge transfer from the electropositive metal Ca. Thus, the antibonding states at the Fermi level that are centered on the two [Ge-n]((2n+2)-) oligomers can be depopulated by means of Ge-to-Ca electron back donation, strengthening at the same time the Ge-Ge bonds. These antibonding states also endow the system with substantial electronic flexibility, which may result in some phase width. Finally, plausible local ordering models of Ag/Ge mixing in [AgxGe2-x]((6-3x)-) units for x = 2/3, as expected from the Zintl concept, are briefly discussed within the coloring problem approach.
C1 [Ponou, Simeon; Doverbratt, Isa; Lidin, Sven] Lund Univ, Dept Chem, Ctr Anal & Synth, S-22100 Lund, Sweden.
[Ponou, Simeon; Miller, Gordon J.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA.
[Ponou, Simeon; Miller, Gordon J.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
RP Ponou, S (reprint author), Lund Univ, Dept Chem, Ctr Anal & Synth, Box 124, S-22100 Lund, Sweden.
EM simeon.ponou@chem.lu.se; gmiller@iastate.edu
FU Swedish National Science Council (VR); US National Science Foundation
(NSF) [NSF DMR 10-05765, 12-09135]; Axel Wenner-Gren Foundation
FX This work was financially supported by the Swedish National Science
Council (VR) and the US National Science Foundation (NSF) (grant numbers
NSF DMR 10-05765 and 12-09135). S. P. also thanks the Axel Wenner-Gren
Foundation for a fellowship.
NR 51
TC 2
Z9 2
U1 2
U2 4
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 2016
IS 1
BP 169
EP 176
DI 10.1002/ejic.201501176
PG 8
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DA3VK
UT WOS:000367727600021
ER
PT J
AU Schneebeli, K
Mathesius, U
Zwart, AB
Bragg, JN
Vogel, JP
Watt, M
AF Schneebeli, Katharina
Mathesius, Ulrike
Zwart, Alexander B.
Bragg, Jennifer N.
Vogel, John P.
Watt, Michelle
TI Brachypodium distachyon genotypes vary in resistance to Rhizoctonia
solani AG8
SO FUNCTIONAL PLANT BIOLOGY
LA English
DT Article
DE adventitious roots; crown roots; defense; growth defence trade-off;
monocot; nodal roots; plant-pathogen interaction
ID NECROTROPHIC PATHOGENS RHIZOCTONIA; ROOT-ROT; CONTROLLED ENVIRONMENT;
DISEASE RESISTANCE; TEMPERATE CEREALS; WHEAT; MODEL; ARABIDOPSIS; AG-8;
BIOSYNTHESIS
AB Brachypodium distachyon (L.) P. Beauv. (Bd) has previously been developed as a pathosystem model for the wheat root rot pathogen Rhizoctonia solani Kuhn anastomosis group 8 (AG8). Here we explore variation in resistance to R. solani AG8 in Bd, to determine whether genomic tools could be used to find Bd genes involved in the grass defence response, with the aim of using this information for the improvement of Rhizoctonia root rot resistance in wheat. We looked for variation in resistance to R. solani AG8 in a diverse Bd natural accession collection and in Bd T-DNA insertion lines selected based on putative mechanisms reported for tagged genes. All lines were susceptible to the pathogen. Repeatable and significant variation in resistance was measured in both groups, with greater variation in resistance found across the natural accessions than in the T-DNA lines. The widest and most repeatable variation in resistance was between lines Koz-3 and BdTR 13a. The ratio of R. solani AG8-inoculated to uninoculated root length for line Koz-3 was 33% greater than the same ratio for line BdTR 13a. The increased resistance of Koz-3 was associated with nodal root initiation in response to the pathogen. A negative correlation between seedling vigour and resistance was observed, but found not to be the sole source of variation in resistance to R. solani AG8. The only T-DNA line with significantly greater resistance to R. solani AG8 than the reference line had an insertion in a putative galactosyltransferase gene; however, this result needs further confirmation. Genetic resistance to Rhizoctonia root rot is not available in wheat cultivars and only a few instances of quantitative resistance to the pathogen have been described within close relatives of wheat. Brachypodium distachyon offers potential for further investigation to find genes associated with quantitative resistance and mechanisms of tolerance to R. solani AG8.
C1 [Schneebeli, Katharina; Zwart, Alexander B.; Watt, Michelle] CSIRO, Agr Flagship, Canberra, ACT 2601, Australia.
[Schneebeli, Katharina; Mathesius, Ulrike] Australian Natl Univ, Res Sch Biol, Div Plant Sci, Canberra, ACT 2601, Australia.
[Bragg, Jennifer N.] Joint BioEnergy Inst, Emeryville, CA 94608 USA.
[Vogel, John P.] DOE Joint Genome Inst, Walnut Creek, CA 94598 USA.
[Vogel, John P.] USDA, ARS, Western Reg Res Ctr, Albany, CA 94710 USA.
RP Schneebeli, K (reprint author), NSW Dept Primary Ind, 21 888 Kamilaroi Highway, Narrabri, NSW 2390, Australia.
EM kathy.schneebeli@dpi.nsw.gov.au
RI Watt, Michelle/I-6226-2016; Mathesius, Ulrike/C-9767-2009; Schneebeli,
Katharina/A-9947-2011;
OI Watt, Michelle/0000-0001-7843-0957; Schneebeli,
Katharina/0000-0002-2256-0645; Vogel, John/0000-0003-1786-2689
FU Australian Grains Research and Development Corporation (GRDC) [CSP
00129]; Office of Biological and Environmental Research, Office of
Science, US Department of Energy [DE-SC0001526, DE-AI02-07ER64452]; USA
Department of Energy Joint Genome Institute, a DOE Office of Science
User Facility [DE-AC02-05CH11231]
FX We thank Vincent Chochois for help with producing seed for these
experiments and Jonathan Anderson for providing the isolate of R. solani
AG8. This work was funded by a PhD stipend to KS from the Australian
Grains Research and Development Corporation (GRDC) through grant CSP
00129, and supported by the Office of Biological and Environmental
Research, Office of Science, US Department of Energy, interagency
agreements DE-SC0001526 and DE-AI02-07ER64452 to JPV and MW. The work
conducted by the USA Department of Energy Joint Genome Institute, a DOE
Office of Science User Facility, is supported under Contract No.
DE-AC02-05CH11231.
NR 37
TC 1
Z9 1
U1 4
U2 9
PU CSIRO PUBLISHING
PI CLAYTON
PA UNIPARK, BLDG 1, LEVEL 1, 195 WELLINGTON RD, LOCKED BAG 10, CLAYTON, VIC
3168, AUSTRALIA
SN 1445-4408
EI 1445-4416
J9 FUNCT PLANT BIOL
JI Funct. Plant Biol.
PY 2016
VL 43
IS 2
SI SI
BP 189
EP 198
DI 10.1071/FP15244
PG 10
WC Plant Sciences
SC Plant Sciences
GA DA8DX
UT WOS:000368036300009
ER
PT J
AU Hutchinson, MI
Powell, AJ
Tsang, A
O'Toole, N
Berka, RM
Barry, K
Grigoriev, IV
Natvig, DO
AF Hutchinson, Miriam I.
Powell, Amy J.
Tsang, Adrian
O'Toole, Nicholas
Berka, Randy M.
Barry, Kerrie
Grigoriev, Igor V.
Natvig, Donald O.
TI Genetics of mating in members of the Chaetomiaceae as revealed by
experimental and genomic characterization of reproduction in
Myceliophthora heterothallica
SO FUNGAL GENETICS AND BIOLOGY
LA English
DT Article
DE Myceliophthora heterothallica; Thermophile; Chaetomiaceae;
Heterothallism; Mating; Genomics
ID NEUROSPORA-CRASSA; THIELAVIA-TERRESTRIS; THERMOPHILIC FUNGI; GENES;
PHYLOGENY; EVOLUTION; EUKARYOTE; LOCI
AB Members of the Chaetomiaceae are among the most studied fungi in industry and among the most reported in investigations of biomass degradation in both natural and laboratory settings. The family is recognized for production of carbohydrate-active enzymes and antibiotics. Thermophilic species are of special interest for their abilities to produce thermally stable enzymes and to be grown under conditions that are unsuitable for potential contaminant microorganisms. Such interests led to the recent acquisition of genome sequences from several members of the family, including thermophilic species, several of which are reported here for the first time. To date, however, thermophilic fungi in industry have served primarily as parts reservoirs and there has been no good genetic model for species in the family Chaetomiaceae or for thermophiles in general. We report here on the reproductive biology of the thermophile Myceliophthora heterothallica, which is heterothallic, unlike most described species in the family. We confirmed heterothallism genetically by following the segregation of mating type idiomorphs and other markers. We have expanded the number of known sexually-compatible individuals from the original isolates from Indiana and Germany to include several isolates from New Mexico. An interesting aspect of development in M. heterothallica is that ascocarp formation is optimal at approximately 30 degrees C, whereas vegetative growth is optimal at 45 degrees C. Genome sequences obtained from several strains, including isolates of each mating type, revealed mating-type regions whose genes are organized similarly to those of other members of the Sordariales, except for the presence of a truncated version of the mat A-1 (MAT1-1-1) gene in mating-type a (MAT1-2) strains. In M. heterothallica and other Chaetomiaceae, mating-type A (MAT1-1) strains have the full-length version of mat A-1 that is typical of mating-type A strains of diverse Ascomycota, whereas a strains have only the truncated version. This truncated mat A-1 has an intact open reading frame and a derived start codon that is not present in mat A-1 from A strains. The predicted protein contains a region that is conserved across diverse mat A-1 genes, but it lacks the major alphal domain, which characterizes proteins in this family and is known to be required for fertility in A strains from other Ascomycota. Finally, we have used genes from M. heterothallica to probe for mating genes in other homothallic and heterothallic members of the Chaetomiaceae. The majority of homothallic species examined have a typical mat A-1,2,3 (MAT1-1-1,2,3) region in addition to an unlinked mat a-1 (MAT1-2-1) gene, reflecting one type of homothallism commonly observed in diverse Ascomycota. (C) 2015 Elsevier Inc. All rights reserved.
C1 [Hutchinson, Miriam I.; Natvig, Donald O.] Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA.
[Powell, Amy J.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Tsang, Adrian; O'Toole, Nicholas] Concordia Univ, Ctr Struct & Funct Genom, Montreal, PQ, Canada.
[Berka, Randy M.] Novozymes Inc, Davis, CA USA.
[Barry, Kerrie; Grigoriev, Igor V.] DOE Joint Genome Inst, Walnut Creek, CA USA.
RP Natvig, DO (reprint author), Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA.
EM dnatvig@gmail.com
OI Natvig, Donald/0000-0003-0891-6534; Hutchinson,
Miriam/0000-0003-4077-0184
FU Genome Canada; National Science Foundation award; University of New
Mexico Research Allocations Committee; Community Sequencing Program
award from the Department of Energy's Joint Genome Institute; U.S.
Department of Energy Joint Genome Institute, a DOE Office of Science
User Facility [DE-AC02-05CH11231]; National Institutes of Health
[P30GM110907]
FX This research was partially supported by Genome Canada, a National
Science Foundation award to the University of New Mexico (UNM) for the
Sevilleta Long-term Ecological Research program, a grant from the
University of New Mexico Research Allocations Committee, and a Community
Sequencing Program award from the Department of Energy's Joint Genome
Institute. The work conducted by the U.S. Department of Energy Joint
Genome Institute, a DOE Office of Science User Facility, is supported
under Contract No. DE-AC02-05CH11231.; We thank George Rosenberg of the
UNM Department of Biology's Molecular Biology Facility for help with
sequence assembly, and we acknowledge additional technical support from
this facility under National Institutes of Health grant P30GM110907.
NR 44
TC 2
Z9 2
U1 4
U2 9
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 1087-1845
EI 1096-0937
J9 FUNGAL GENET BIOL
JI Fungal Genet. Biol.
PD JAN
PY 2016
VL 86
BP 9
EP 19
DI 10.1016/j.fgb.2015.11.007
PG 11
WC Genetics & Heredity; Mycology
SC Genetics & Heredity; Mycology
GA DB2CH
UT WOS:000368315400002
PM 26608618
ER
PT J
AU Qin, ZC
Dunn, JB
Kwon, HY
Mueller, S
Wander, MM
AF Qin, Zhangcai
Dunn, Jennifer B.
Kwon, Hoyoung
Mueller, Steffen
Wander, Michelle M.
TI Soil carbon sequestration and land use change associated with biofuel
production: empirical evidence
SO GLOBAL CHANGE BIOLOGY BIOENERGY
LA English
DT Article
DE corn; cropland; emission factor; forest; grassland; life cycle analysis;
Miscanthus; poplar; switchgrass; willow
ID ORGANIC-CARBON; CROP RESIDUE; AGRICULTURAL MANAGEMENT;
VERTICAL-DISTRIBUTION; UNITED-STATES; META ANALYSIS; NO-TILL; MATTER;
MISCANTHUS; BIOENERGY
AB Soil organic carbon (SOC) change can be a major impact of land use change (LUC) associated with biofuel feedstock production. By collecting and analyzing data from worldwide field observations of major LUCs from cropland, grassland, and forest to lands producing biofuel crops (i.e. corn, switchgrass, Miscanthus, poplar, and willow), we were able to estimate SOC response ratios and sequestration rates and evaluate the effects of soil depth and time scale on SOC change. Both the amount and rate of SOC change were highly dependent on the specific land transition. Irrespective of soil depth or time horizon, cropland conversions resulted in an overall SOC gain of 6-14% relative to initial SOC level, while conversion from grassland or forest to corn (without residue removal) or poplar caused significant carbon loss (9-35%). No significant SOC changes were observed in land converted from grasslands or forests to switchgrass, Miscanthus, or willow. The SOC response ratios were similar in both 0-30 and 0-100 cm soil depths in most cases, suggesting SOC changes in deep soil and that use of top soil only for SOC accounting in biofuel life cycle analysis (LCA) might underestimate total SOC changes. Soil carbon sequestration rates varied greatly among studies and land transition types. Generally, the rates of SOC change tended to be the greatest during the 10 years following land conversion and had declined to approach 0 within about 20 years for most LUCs. Observed trends in SOC change were generally consistent with previous reports. Soil depth and duration of study significantly influence SOC change rates and so should be considered in carbon emission accounting in biofuel LCA. High uncertainty remains for many perennial systems and forest transitions, additional field trials, and modeling efforts are needed to draw conclusions about the site- and system-specific rates and direction of change.
C1 [Qin, Zhangcai; Dunn, Jennifer B.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA.
[Kwon, Hoyoung] Int Food Policy Res Inst, Environm & Prod Technol Div, Washington, DC 20006 USA.
[Mueller, Steffen] Univ Illinois, Energy Resources Ctr, Chicago, IL 60607 USA.
[Wander, Michelle M.] Univ Illinois, Dept Nat Resources & Environm Sci, Urbana, IL 61801 USA.
RP Qin, ZC (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM zqin@anl.gov; jdunn@anl.gov
OI QIN, ZHANGCAI/0000-0001-9414-4854
FU Bioenergy Technologies Office (BETO) of the Office of Energy Efficiency
and Renewable Energy of the United States Department of Energy
[DE-AC02-06CH11357]
FX We are very grateful to Christopher Clark, Axel Don, Julie Jastrow,
Umakant Mishra, Christopher Ramig, Tim Volk, Katja Walter, and Michael
Wang for helpful communication and discussions. We thank Pete Smith and
two anonymous reviews for insightful comments. This work was supported
by the Bioenergy Technologies Office (BETO) of the Office of Energy
Efficiency and Renewable Energy of the United States Department of
Energy, under contract DE-AC02-06CH11357. We thank Kristen Johnson,
Alicia Lindauer, and Zia Haq of BETO for support and guidance.
NR 62
TC 11
Z9 11
U1 6
U2 23
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1757-1693
EI 1757-1707
J9 GCB BIOENERGY
JI GCB Bioenergy
PD JAN
PY 2016
VL 8
IS 1
BP 66
EP 80
DI 10.1111/gcbb.12237
PG 15
WC Agronomy; Biotechnology & Applied Microbiology; Energy & Fuels
SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels
GA DB0BB
UT WOS:000368172500008
ER
PT J
AU Hellwinckel, C
Clark, C
Langholtz, M
Eaton, L
AF Hellwinckel, Chad
Clark, Christopher
Langholtz, Matthew
Eaton, Laurence
TI Simulated impact of the renewable fuels standard on US Conservation
Reserve Program enrollment and conversion
SO GLOBAL CHANGE BIOLOGY BIOENERGY
LA English
DT Article
DE Conservation Reserve Program; Energy Independence and Security Act;
land-use change; Renewable Fuel Standard; second-generation biofuels
ID UNITED-STATES; SWITCHGRASS; GRASSLAND; BIOFUELS; BIOMASS; ENERGY
AB A socioeconomic model is used to estimate the land-use implications on the U.S. Conservation Reserve Program from potential increases in second-generation biofuel production. A baseline scenario with no second-generation biofuel production is compared to a scenario where the Renewable Fuels Standard (RFS2) volumes are met by 2022. We allow for the possibility of converting expiring CRP lands to alternative uses such as conventional crops, dedicated second-generation biofuel crops, or harvesting existing CRP grasses for biomass. Results indicate that RFS2 volumes (RFS2-v) can be met primarily with crop residues (78% of feedstock demand) and woody residues (19% of feedstock demand) compared with dedicated biomass (3% of feedstock demand), with only minimal conversion of cropland (0.27 million hectares, <1% of total cropland), pastureland (0.28 million hectares of pastureland, <1% of total pastureland), and CRP lands (0.29 million hectares of CRP lands, 3% of existing CRP lands) to biomass production. Meeting RFS2 volumes would reduce CRP re-enrollment by 0.19 million hectares, or 4%, below the baseline scenario where RFS2 is not met. Yet under RFS2-v scenario, expiring CRP lands are more likely to be converted to or maintain perennial cover, with 1.78 million hectares of CRP lands converting to hay production, and 0.29 million hectares being harvested for existing grasses. A small amount of CRP is harvested for existing biomass, but no conversion of CRP to dedicated biomass crops, such as switchgrass, are projected to occur. Although less land is enrolled in CRP under RFS2-v scenario, total land in perennial cover increases by 0.15 million hectares, or 2%, under RFS2-v. Sensitivity to yield, payment and residue retention assumptions are evaluated.
C1 [Hellwinckel, Chad] Univ Tennessee, Agr Policy Anal Ctr, Knoxville, TN 37996 USA.
[Clark, Christopher] US EPA, Natl Ctr Environm Assessment, Washington, DC 20460 USA.
[Langholtz, Matthew; Eaton, Laurence] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.
RP Hellwinckel, C (reprint author), Univ Tennessee, Agr Policy Anal Ctr, Knoxville, TN 37996 USA.
EM chellwin@utk.edu
RI Eaton, Laurence/E-1471-2012
OI Eaton, Laurence/0000-0003-1270-9626
FU US Environmental Protection Agency [EP-13-H-000183/0001]; US Department
of Energy, Office of Science, Office of Bioenergy Technologies
FX This material is based in part upon work supported by the US
Environmental Protection Agency under Grant Number EP-13-H-000183/0001.
This material is also based also upon work supported by the US
Department of Energy, Office of Science, Office of Bioenergy
Technologies. 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 Environmental Protection Agency or
the Department of Energy. We would also like to thank USDA Farm Service
Agency for providing CRP field-level boundary information.
NR 46
TC 1
Z9 1
U1 6
U2 14
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1757-1693
EI 1757-1707
J9 GCB BIOENERGY
JI GCB Bioenergy
PD JAN
PY 2016
VL 8
IS 1
BP 245
EP 256
DI 10.1111/gcbb.12281
PG 12
WC Agronomy; Biotechnology & Applied Microbiology; Energy & Fuels
SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels
GA DB0BB
UT WOS:000368172500021
ER
PT J
AU Oleaga, A
Shvalya, V
Sefat, AS
Salazar, A
AF Oleaga, A.
Shvalya, V.
Sefat, A. S.
Salazar, A.
TI Transport Thermal Properties of LiTaO3 Pyroelectric Sensor from 15 K to
400 K and Its Application to the Study of Critical Behavior in EuCo2As2
SO INTERNATIONAL JOURNAL OF THERMOPHYSICS
LA English
DT Article
DE Critical behavior; EuFe2As2; LiTaO3; Photopyroelectric calorimeter;
Thermal effusivity
ID PHOTOPYROELECTRIC SPECTROSCOPY; TEMPERATURE-DEPENDENCE; PARAMETERS;
TRANSITION; HEAT
AB ac photopyroelectric calorimeters in the standard back configuration, where LiTaO3 is one of the most popular materials to be used as a detector, are commonly used to study phase transitions in solids and liquids. In order to extract the specific heat of a studied sample, a good knowledge of the thermal effusivity of the sensor as a function of temperature is needed. This function has been obtained for the first time in the range 15 K to 400 K by independently measuring LiTaO3 thermal diffusivity and specific heat and combining both of them to give thermal effusivity. Using this photopyroelectric setup and LiTaO3 as sensor, we have carried out the study of the critical behavior of the antiferromagnetic ordering of the Eu2+ spins in EuCo2As2 (a compound with similar structure as EuFe2As2, from which superconductors have been developed) at low temperature by measuring its specific heat. The critical parameters found for EuCo2As2 (alpha = -0.017, A(+)/A(-) = 1.06) agree with the 3D-XY universality class, indicating that the spins present an in-plane arrangement for Eu2+, in agreement with magnetic measurements in the literature.
C1 [Oleaga, A.; Shvalya, V.; Salazar, A.] Univ Pais Vasco UPV EHU, Escuela Tecn Super Ingn, Dept Fis Aplicada 1, Alameda 48013, Bilbao, Spain.
[Shvalya, V.] Uzhgorod State Univ, Inst Solid State Phys & Chem, UA-88000 Uzhgorod, Ukraine.
[Sefat, A. S.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Oleaga, A (reprint author), Univ Pais Vasco UPV EHU, Escuela Tecn Super Ingn, Dept Fis Aplicada 1, Alameda Urquijo S-N, Alameda 48013, Bilbao, Spain.
EM alberto.oleaga@ehu.es
RI Oleaga, Alberto/L-2873-2014; Salazar, Agustin/K-5814-2014; Sefat,
Athena/R-5457-2016
OI Oleaga, Alberto/0000-0002-3618-9103; Salazar,
Agustin/0000-0002-4108-332X; Sefat, Athena/0000-0002-5596-3504
FU Ministerio de Ciencia e Innovacion; FEDER [MAT2011-23811]; Gobierno
Vasco [IT619-13]; UPV/EHU [UFI 11/55]; U.S. Department of Energy (DOE),
Office of Science, Basic Energy Sciences, Materials Science and
Engineering Division
FX This work was supported by Ministerio de Ciencia e Innovacion with FEDER
support (MAT2011-23811), Gobierno Vasco (IT619-13), and UPV/EHU (UFI
11/55). The authors thank for technical and human support provided by
"Servicio General de Apoyo a la Investigacion (SAI)", Universidad de
Zaragoza. The work at ORNL was supported by the U.S. Department of
Energy (DOE), Office of Science, Basic Energy Sciences, Materials
Science and Engineering Division.
NR 27
TC 0
Z9 0
U1 5
U2 18
PU SPRINGER/PLENUM PUBLISHERS
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0195-928X
EI 1572-9567
J9 INT J THERMOPHYS
JI Int. J. Thermophys.
PD JAN
PY 2016
VL 37
IS 1
AR 4
DI 10.1007/s10765-015-2013-1
PG 8
WC Thermodynamics; Chemistry, Physical; Mechanics; Physics, Applied
SC Thermodynamics; Chemistry; Mechanics; Physics
GA DA8KJ
UT WOS:000368053200004
ER
PT J
AU Smith, SA
Hughes, E
Coats, ER
Brinkman, CK
McDonald, AG
Harper, JR
Feris, K
Newby, D
AF Smith, Simon A.
Hughes, Eric
Coats, Erik R.
Brinkman, Cynthia K.
McDonald, Armando G.
Harper, Jeric R.
Feris, Kevin
Newby, Deborah
TI Toward sustainable dairy waste utilization: enhanced VFA and biogas
synthesis via upcycling algal biomass cultured on waste effluent
SO JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY
LA English
DT Article
DE algae; anaerobic digestion; fermentation; polyhydroxyalkanoate (PHA);
volatile solids
ID MANURE NUTRIENTS; METHANE; WATER
AB BACKGROUND: In 2012, 9.3 million head of dairy cows in the USA produced an estimated 20 million metric tons of manure solids, but little value was gained from this manure. There is a pressing need to enhance manure resource recovery efforts, as dairy manure has potentially significant environmental impacts. This study evaluated components of an integrated suite of biological processes designed to maximize resource recovery from dairy manure, in which algae grown on polyhydroxyalkanoate (PHA) production effluent (PHA-algae) were fermented and anaerobically digested to determine process impacts.
RESULTS: A 10% PHA-algae supplement produced 11% more volatile fatty acids (VFA) during fermentation and 11% more methane during anaerobic digestion (AD) (vs. dairy manure); the PHA-algae biogas also contained a higher percentage (62.7 vs. 59.1%) of methane than manure biogas. Algal augmentation exhibited no negative effect on fermenter or AD operation. Quantitative polymerase chain reaction (PCR) showed that the ADs contained substantial populations of both acetoclastic and hydrogenotrophic methanogens, which, given the heterogeneous substrate, enhanced process stability. There were significant differences between PHA-algae batches, and large quantities of COD were released during algae freezing.
CONCLUSION: PHA-algae yielded more VFA during fermentation, and a more methane-rich biogas following AD than dairy manure. A 10% PHA-algae supplement caused no process disturbance in normal manure flora. (c) 2015 Society of Chemical Industry
C1 [Smith, Simon A.; Hughes, Eric; Coats, Erik R.; Brinkman, Cynthia K.] Univ Idaho, Dept Civil Engn, Moscow, ID 83844 USA.
[McDonald, Armando G.] Univ Idaho, Dept Forest Rangeland & Fire Serv, Moscow, ID 83844 USA.
[Harper, Jeric R.; Feris, Kevin] Boise State Univ, Dept Biol Sci, Boise, ID 83725 USA.
[Newby, Deborah] Idaho Natl Lab, Idaho Falls, ID USA.
RP Coats, ER (reprint author), Univ Idaho, Dept Civil Engn, Moscow, ID 83844 USA.
EM ecoats@uidaho.edu
RI Coats, Erik/C-2887-2008
OI Coats, Erik/0000-0003-2796-9949
FU Idaho National Lab (INL) Laboratory Directed Research & Development
(LDRD) Program under DOE Idaho Operations Office, as a component of the
Center for Advanced Energy Studies (CAES) research portfolio
[DE-AC07-05ID14517]
FX This work was supported through the Idaho National Lab (INL) Laboratory
Directed Research & Development (LDRD) Program under DOE Idaho
Operations Office Contract DE-AC07-05ID14517, as a component of the
Center for Advanced Energy Studies (CAES) research portfolio.
NR 38
TC 1
Z9 1
U1 8
U2 24
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0268-2575
EI 1097-4660
J9 J CHEM TECHNOL BIOT
JI J. Chem. Technol. Biotechnol.
PD JAN
PY 2016
VL 91
IS 1
BP 113
EP 121
DI 10.1002/jctb.4706
PG 9
WC Biotechnology & Applied Microbiology; Chemistry, Multidisciplinary;
Engineering, Environmental; Engineering, Chemical
SC Biotechnology & Applied Microbiology; Chemistry; Engineering
GA DA6YI
UT WOS:000367951400012
ER
PT J
AU Borreguero, JM
Lynch, VE
AF Borreguero, Jose M.
Lynch, Vickie E.
TI Molecular Dynamics Force-Field Refinement against Quasi-Elastic Neutron
Scattering Data
SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION
LA English
DT Article
ID POTENTIAL FUNCTIONS; LIQUID WATER; SIMULATIONS; OPTIMIZATION; PACKAGE;
SPECTROSCOPY; TEMPERATURE; TRANSITION; FORMALISM; HYDRATION
AB Quasi-elastic neutron scattering (QENS) is one of the experimental techniques of choice for probing the dynamics at length and time scales that are also in the realm of full-atom molecular dynamics (MD) simulations. This overlap enables extension of current fitting methods that use time-independent equilibrium measurements to new methods fitting against dynamics data. We present an algorithm that fits simulation-derived incoherent dynamical structure factors "against QENS data probing the diffusive dynamics of the system. We showcase the difficulties inherent to this type of fitting problem, namely, the disparity between simulation and experiment environment, as well as limitations in the simulation due to incomplete sampling of phase space. We discuss a methodology to overcome these difficulties and apply it to a set of full-atom MD simulations for the purpose of refining the force-field parameter governing the activation energy of methyl rotation in the octa-methyl polyhedral oligomeric silsesquioxane molecule. Our optimal simulated activation energy agrees with the experimentally derived value up to a 5% difference, well within experimental error. We believe the method will find applicability to other types of diffusive motions and other representation of the systems such as coarse-grain models where empirical fitting is essential. Also, the refinement method can be extended to the coherent dynamic structure factor with no additional effort.
C1 [Borreguero, Jose M.; Lynch, Vickie E.] Oak Ridge Natl Lab, Neutron Data Anal & Visualizat Div, Oak Ridge, TN 37831 USA.
RP Borreguero, JM (reprint author), Oak Ridge Natl Lab, Neutron Data Anal & Visualizat Div, Oak Ridge, TN 37831 USA.
EM borreguerojm@ornl.gov
RI Lynch, Vickie/J-4647-2012; Borreguero, Jose/B-2446-2009
OI Lynch, Vickie/0000-0002-5836-7636; Borreguero, Jose/0000-0002-0866-8158
FU Center for Accelerating Materials Modeling (CAMM) - U.S. Department of
Energy, Basic Energy Sciences, Materials Sciences and Engineering
Division Division [FWP-3ERKCSNL]; Division of Scientific User
Facilities, Office of Basic Energy Sciences, U.S. Department of Energy
[DE-AC05-00OR22725]; UT-Battelle, LLC
FX Authors would like to thank S. E. Anderson, for initial topology and
coordinates files; N. Jalarvo, M. K. Crawford, and E. Mamontov, for
providing the experimental structure factors and fruitful discussions;
and K. W. Herwig and T. Proffen, for careful review of the manuscript
and providing valuable comments and suggestions. J.M.B. and V.E.L. are
supported by the Center for Accelerating Materials Modeling (CAMM),
which is funded by the U.S. Department of Energy, Basic Energy Sciences,
Materials Sciences and Engineering Division Division, under
FWP-3ERKCSNL. Research at the Spoliation Neutron Source was sponsored by
the Division of Scientific User Facilities, Office of Basic Energy
Sciences, U.S. Department of Energy, under Contract No.
DE-AC05-00OR22725 with UT-Battelle, LLC.
NR 42
TC 1
Z9 1
U1 5
U2 18
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 2016
VL 12
IS 1
BP 9
EP 17
DI 10.1021/acs.jctc.5b00878
PG 9
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA DB2FA
UT WOS:000368322500002
PM 26616475
ER
PT J
AU Perez, D
Cubuk, ED
Waterland, A
Kaxiras, E
Voter, AF
AF Perez, Danny
Cubuk, Ekin D.
Waterland, Amos
Kaxiras, Efthimios
Voter, Arthur F.
TI Long-Time Dynamics through Parallel Trajectory Splicing
SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION
LA English
DT Article
ID ACCELERATED MOLECULAR-DYNAMICS; INFREQUENT EVENTS; REPLICA DYNAMICS;
SIMULATION
AB Simulating the atomistic evolution of materials over long time scales is a longstanding challenge, especially for complex systems where the distribution of barrier heights is very heterogeneous. Such systems are difficult to investigate using conventional long-time scale techniques, and the fact that they tend to remain trapped in small regions of configuration space for extended periods of time strongly limits the physical insights gained from short simulations. We introduce a novel simulation technique, Parallel Trajectory Splicing (Par Splice), that aims at addressing this problem through the timewise parallelization of long trajectories. The computational efficiency of Par Splice stems from a speculation strategy whereby predictions of the future evolution of the system are leveraged to increase the amount of work that can be concurrently performed at any one time, hence improving the scalability of the method. ParSplice is also able to accurately account for, and potentially reuse, a substantial fraction of the computational work invested in the simulation. We validate the method on a simple Ag surface system and demonstrate substantial increases in efficiency compared to previous methods. We then demonstrate the power of ParSplice through the study of topology changes in Ag42Cu13 core shell nanoparticles.
C1 [Perez, Danny; Voter, Arthur F.] Los Alamos Natl Lab, Theoret Div T 1, Los Alamos, NM 87544 USA.
[Cubuk, Ekin D.; Waterland, Amos; Kaxiras, Efthimios] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA.
[Cubuk, Ekin D.; Waterland, Amos; Kaxiras, Efthimios] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA.
RP Perez, D (reprint author), Los Alamos Natl Lab, Theoret Div T 1, POB 1663, Los Alamos, NM 87544 USA.
EM danny_perez@lanl.gov; kaxiras@physics.harvard.edu; afv@lanl.gov
FU U.S. Department of Energy through the Los Alamos National Laboratory
(LANL)/LDRD Program; United States Department of Energy (U.S. DOE),
Office of Science, Office of Basic Energy Sciences, Materials Sciences
and Engineering Division; U.S. Army Research Laboratory through
Collaborative Research Alliance (CRA) for Multiscale Multidisciplinary
Modeling of Electronic Materials (MSME); National Science Foundation
[CCF-1438983, ID 2012116808]; Google Faculty Research Award; US DOE
[DE-AC52-06NA25396]
FX Work at Los Alamos National Laboratory was supported by the U.S.
Department of Energy through the Los Alamos National Laboratory
(LANL)/LDRD Program and by the United States Department of Energy (U.S.
DOE), Office of Science, Office of Basic Energy Sciences, Materials
Sciences and Engineering Division, during initial conceptual
developments. Work at Harvard University was supported in part by a
grant from the U.S. Army Research Laboratory through the Collaborative
Research Alliance (CRA) for Multiscale Multidisciplinary Modeling of
Electronic Materials (MSME). A.W. acknowledges support by the National
Science Foundation under Grant No. CCF-1438983, a Graduate Research
Fellowship under Fellow ID 2012116808, and by a Google Faculty Research
Award. Los Alamos National Laboratory is operated by Los Alamos National
Security, LLC, for the National Nuclear Security administration of the
US DOE under contract DE-AC52-06NA25396. This research used resources
provided by the Los Alamos National Laboratory Institutional Computing
Program.
NR 27
TC 2
Z9 2
U1 2
U2 10
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 2016
VL 12
IS 1
BP 18
EP 28
DI 10.1021/acs.jctc.5b00916
PG 11
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA DB2FA
UT WOS:000368322500003
PM 26605853
ER
PT J
AU Panetier, JA
Letko, CS
Tilley, TD
Head-Gordon, M
AF Panetier, Julien A.
Letko, Christopher S.
Tilley, T. Don
Head-Gordon, Martin
TI Computational Characterization of Redox Non-Innocence in
Cobalt-Bis(Diaryldithiolene)-Catalyzed Proton Reduction
SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION
LA English
DT Article
ID ELECTROCATALYTIC HYDROGEN EVOLUTION; COBALT-DITHIOLENE COMPLEXES;
CATALYTIC WATER OXIDATION; DIIMINE-DIOXIME COMPLEXES; COUPLED
ELECTRON-TRANSFER; DENSITY-FUNCTIONAL THEORY; ARTIFICIAL PHOTOSYNTHESIS;
H-2 PRODUCTION; MOLECULAR ELECTROCATALYSTS; AQUEOUS-SOLUTIONS
AB Localized orbital bonding analysis (LOBA) was employed to probe the oxidation state in cobalt-bis(diaryldithiolene)-catalyzed proton reduction in nonaqueous media. LOBA calculations provide both the oxidation state and chemically intuitive views of bonding in cobalt-bis(diaryldithiolene) species and therefore allow characterization of the role of the redox non-innocent dithiolene ligand. LOBA results show that the reduction of the monoanion species [1Br](-) is metal-centered and gives a cobalt(II) ion species, [1Br](2-), coordinated to two dianionic ene-1,2-dithiolates. This electronic configuration is in agreement with the solution magnetic moment observed for the analogous salt [1F](2-) (mu(eff) = 2.39 mu(B)). Protonation of [1Br](2-) yields the cobalt(III)-hydride [1Br(CoH)](-) species in which the Co-H bond is computed to be highly covalent (Lowdin populations close to 0.50 on cobalt and hydrogen atoms). Further reduction of [1Br(CoH)](-) forms a more basic cobalt(II)-H intermediate [1Br(CoH)](2-) (S = 0) from which protonation at sulfur gives a S-H bond syn to the Co-H bond. Formation of a cobalt-dihydrogen [1Br(CoH2)](-) intermediate is calculated to occur via a homocoupling (H-center dot + H-center dot -> H-2) step with a free energy of activation of 5.9 kcal/mol in solution (via C-PCM approach).
C1 [Panetier, Julien A.; Letko, Christopher S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
[Tilley, T. Don; Head-Gordon, Martin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Tilley, TD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
EM tdtilley@berkeley.edu; mhg@cchem.berkeley.edu
OI Panetier, Julien/0000-0003-4905-8396
FU Office of Science of the U.S. Department of Energy [DE-SC0004993]
FX This material is based upon work performed 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.
NR 104
TC 4
Z9 4
U1 7
U2 35
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 2016
VL 12
IS 1
BP 223
EP 230
DI 10.1021/acs.jctc.5b00968
PG 8
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA DB2FA
UT WOS:000368322500021
PM 26598074
ER
PT J
AU Haxton, TK
Zuckermann, RN
Whitelam, S
AF Haxton, Thomas K.
Zuckermann, Ronald N.
Whitelam, Stephen
TI Implicit-Solvent Coarse-Grained Simulation with a Fluctuating Interface
Reveals a Molecular Mechanism for Peptoid Mono layer Buckling
SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION
LA English
DT Article
ID LATTICE-GAS MODEL; LENGTH SCALES; NANOPARTICLES; NANOSHEETS; POLYMERS;
COLLAPSE
AB Peptoid polymers form extended two-dimensional nanostructures via an interface-mediated assembly process: the amphiphilic peptoids first adsorb to an air water interface as a monolayer, then buckle and collapse into free-floating bilayer nanosheets when the interface is compressed. Here, we investigate the molecular mechanism of monolayer buckling by developing a method for incorporating interface fluctuations into an implicit-solvent coarse-grained model. Representing the interface with a triangular mesh controlled by surface tension and surfactant adsorption, we predict the direction of buckling for peptoids with a segregated arrangement of charged side chains and predict that peptoids with with an alternating charge pattern should buckle less easily than peptoids with a segregated charge pattern.
C1 [Haxton, Thomas K.; Zuckermann, Ronald N.; Whitelam, Stephen] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
RP Haxton, TK (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
EM tomhaxton@gmail.com; swhitelam@lbl.gov
FU Defense Threat Reduction Agency [IACRO-B1144571]; Office of Science,
Office of Basic Energy Sciences of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX We thank David Chandler, Ranjan Mannige, Ellen Robertson, and Suri
Vaikuntanathan for useful discussions. This project was funded by the
Defense Threat Reduction Agency under Contract No. IACRO-B1144571. Work
at the Molecular Foundry and the National Energy Research Scientific
Computing Center was supported by the Office of Science, Office of Basic
Energy Sciences, of the U.S. Department of Energy under Contract No.
DE-AC02-05CH11231.
NR 30
TC 0
Z9 0
U1 5
U2 13
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 2016
VL 12
IS 1
BP 345
EP 352
DI 10.1021/acs.jctc.5b00910
PG 8
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA DB2FA
UT WOS:000368322500032
PM 26647143
ER
PT J
AU Lee, J
Cheng, X
Swails, JM
Yeom, MS
Eastman, PK
Lemkul, JA
Wei, S
Buckner, J
Jeong, JC
Qi, YF
Jo, S
Pande, VS
Case, DA
Brooks, CL
MacKerell, AD
Klauda, JB
Im, W
AF Lee, Jumin
Cheng, Xi
Swails, Jason M.
Yeom, Min Sun
Eastman, Peter K.
Lemkul, Justin A.
Wei, Shuai
Buckner, Joshua
Jeong, Jong Cheol
Qi, Yifei
Jo, Sunhwan
Pande, Vijay S.
Case, David A.
Brooks, Charles L., III
MacKerell, Alexander D., Jr.
Klauda, Jeffery B.
Im, Wonpil
TI CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and
CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION
LA English
DT Article
ID MOLECULAR-DYNAMICS SIMULATIONS; LIPID-BILAYERS; MEMBRANE SIMULATIONS;
USER-INTERFACE; BUILDER; PHASE; CHAIN; VALIDATION; PROTEIN; UPDATE
AB Proper treatment of nonbonded interactions is essential for the accuracy of molecular dynamics (MD) simulations, especially in studies of lipid bilayers. The use of the CHARMM36 force field (C36 FF) in different MD simulation programs can result in disagreements with published simulations performed with CHARMM due to differences in the protocols used to treat the long-range and 14 nonbonded interactions. In this study, we systematically test the use of the C36 lipid FF in NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM. A wide range of Lennard-Jones (LJ) cutoff schemes and integrator algorithms were tested to find the optimal simulation protocol to best match bilayer properties of six lipids with varying acyl chainsaturation and head groups. MD simulations of a 1,2-dipalmitoyl-sn-phosphatidylcholine (DPPC) bilayer were used to obtain the optimal protocol for each program. MD simulations with all programs were found to reasonably match the DPPC bilayer properties (surface area per lipid, chain order parameters, and area compressibility modulus) obtained using the standard protocol used in CHARMM as well as from experiments. The optimal simulation protocol was then applied to the other five lipid simulations and resulted in excellent agreement between results from most simulation programs as well as with experimental data. AMBER compared least favorably with the expected membrane properties, which appears to be due to its use of the hard-truncation in the LJ potential versus a force-based switching function used to smooth the LJ potential as it approaches the cutoff distance. The optimal simulation protocol for each program has been implemented in CHARMM-GUI. This protocol is expected to be applicable to the remainder of the additive C36 FF including the proteins, nucleic acids, carbohydrates, and small molecules.
C1 [Lee, Jumin; Cheng, Xi; Qi, Yifei; Im, Wonpil] Univ Kansas, Dept Mol Biosci, Lawrence, KS 66047 USA.
[Lee, Jumin; Cheng, Xi; Qi, Yifei; Im, Wonpil] Univ Kansas, Ctr Computat Biol, Lawrence, KS 66047 USA.
[Swails, Jason M.; Case, David A.] Rutgers State Univ, Dept Chem & Chem Biol, Piscataway, NJ 08854 USA.
[Yeom, Min Sun] Korean Inst Sci & Technol Informat, Daejeon 305806, South Korea.
[Eastman, Peter K.; Pande, Vijay S.] Stanford Univ, Dept Bioengn, Stanford, CA 94035 USA.
[Lemkul, Justin A.; MacKerell, Alexander D., Jr.] Univ Maryland, Sch Pharm, Dept Pharmaceut Sci, Baltimore, MD 21201 USA.
[Wei, Shuai; Buckner, Joshua; Brooks, Charles L., III] Univ Michigan, Dept Chem, Ann Arbor, MI 48109 USA.
[Wei, Shuai; Buckner, Joshua; Brooks, Charles L., III] Univ Michigan, Biophys Program, Ann Arbor, MI 48109 USA.
[Jeong, Jong Cheol] Harvard Univ, Sch Med, Beth Israel Deaconess Canc Ctr, Canc Res Inst, Boston, MA 02215 USA.
[Jo, Sunhwan] Argonne Natl Lab, Leadership Comp Facil, Argonne, IL 60439 USA.
[Klauda, Jeffery B.] Univ Maryland, Dept Chem & Biomol Engn, College Pk, MD 20742 USA.
[Klauda, Jeffery B.] Univ Maryland, Biophys Program, College Pk, MD 20742 USA.
RP Im, W (reprint author), Univ Kansas, Dept Mol Biosci, Lawrence, KS 66047 USA.
EM wonpil@ku.edu
FU NSF [DBI-1145987, MCB-1157677, MCB-I149187, DBI-1145652]; NIH
[U54GM087519, R01GM072558, GM051501, GM070855, F32GM109632, GM103695,
GM037554]; XSEDE [MCB070009]
FX This work was supported by NSF DBI-1145987, NSF MCB-1157677, NIH
U54GM087519, XSEDE MCB070009 (to W.I.), NIH R01GM072558, GM051501,
GM070855 (A.D.M.), NSF MCB-I149187, NSF DBI-1145652 (J.B.K.), NIH
F32GM109632 NIH GM103695, GM037554 (C.L.B.), and the National Institute
of Supercomputing and Networking/Korea Institute of Science and
Technology Information with supercomputing resources including technical
support [KSC-2015-C3-004] (M.S.Y.).
NR 66
TC 43
Z9 43
U1 22
U2 47
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 2016
VL 12
IS 1
BP 405
EP 413
DI 10.1021/acs.jctc.5b00935
PG 9
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA DB2FA
UT WOS:000368322500038
PM 26631602
ER
PT J
AU Aston, JE
Apel, WA
Lee, BD
Thompson, DN
Lacey, JA
Newby, DT
Reed, DW
Thompson, VS
AF Aston, John E.
Apel, William A.
Lee, Brady D.
Thompson, David N.
Lacey, Jeffrey A.
Newby, Deborah T.
Reed, David. W.
Thompson, Vicki S.
TI Degradation of phenolic compounds by the lignocellulose deconstructing
thermoacidophilic bacterium Alicyclobacillus Acidocaldarius
SO JOURNAL OF INDUSTRIAL MICROBIOLOGY & BIOTECHNOLOGY
LA English
DT Article
DE Alicyclobacillus acidocaldarius; Thermophiles; Phenolics; Bioremoval
ID MULTICOPPER OXIDASE; LACCASE; BIODEGRADATION; GROWTH; TECHNOLOGY;
BIOREACTOR; ENZYMES
AB Alicyclobacillus acidocaldarius, a thermoacidophilic bacterium, has a repertoire of thermo- and acid-stable enzymes that deconstruct lignocellulosic compounds. The work presented here describes the ability of A. acidocaldarius to reduce the concentration of the phenolic compounds: phenol, ferulic acid, rho-coumaric acid and sinapinic acid during growth conditions. The extent and rate of the removal of these compounds were significantly increased by the presence of micro-molar copper concentrations, suggesting activity by copper oxidases that have been identified in the genome of A. acidocaldarius. Substrate removal kinetics was first order for phenol, ferulic acid, rho-coumaric acid and sinapinic acid in the presence of 50 mu M copper sulfate. In addition, laccase enzyme assays of cellular protein fractions suggested significant activity on a lignin analog between the temperatures of 45 and 90 A degrees C. This work shows the potential for A. acidocaldarius to degrade phenolic compounds, demonstrating potential relevance to biofuel production and other industrial processes.
C1 [Aston, John E.; Apel, William A.; Thompson, David N.; Lacey, Jeffrey A.; Newby, Deborah T.; Reed, David. W.; Thompson, Vicki S.] Idaho Natl Lab, Biol & Chem Proc Dept, Idaho Falls, ID 83402 USA.
[Lee, Brady D.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA.
RP Aston, JE (reprint author), Idaho Natl Lab, Biol & Chem Proc Dept, Idaho Falls, ID 83402 USA.
EM john.aston@inl.gov
RI Thompson, Vicki/B-9086-2017; Reed, David/C-3337-2017
OI Thompson, Vicki/0000-0003-4975-392X; Reed, David/0000-0003-4877-776X
FU Idaho National Laboratory Directed Research and Development program
under Department of Energy Idaho Operations Office [DE-AC07-05ID14517]
FX This work was supported by the Idaho National Laboratory Directed
Research and Development program under Department of Energy Idaho
Operations Office Contract DE-AC07-05ID14517.
NR 42
TC 0
Z9 0
U1 2
U2 16
PU SPRINGER HEIDELBERG
PI HEIDELBERG
PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY
SN 1367-5435
EI 1476-5535
J9 J IND MICROBIOL BIOT
JI J. Ind. Microbiol. Biotechnol.
PD JAN
PY 2016
VL 43
IS 1
BP 13
EP 23
DI 10.1007/s10295-015-1700-z
PG 11
WC Biotechnology & Applied Microbiology
SC Biotechnology & Applied Microbiology
GA DA5PU
UT WOS:000367855800003
PM 26542284
ER
PT J
AU Singh, N
Ramirez-Carvajal, L
de los Santos, T
Golding, MC
Long, CR
AF Singh, Neetu
Ramirez-Carvajal, Lisbeth
de los Santos, Teresa
Golding, Michael C.
Long, Charles R.
TI Inhibition of EHMT2 Induces a Robust Antiviral Response Against
Foot-and-Mouth Disease and Vesicular Stomatitis Virus Infections in
Bovine Cells
SO JOURNAL OF INTERFERON AND CYTOKINE RESEARCH
LA English
DT Article
ID G9A HISTONE METHYLTRANSFERASE; ALPHA-INTERFERON; PROTEIN-KINASE;
METHYLATION; EXPRESSION; H3; REPLICATION; CONTRIBUTES; REPRESSION;
PROMOTER
AB The genetic regulatory network controlling the innate immune system is well understood in many species. However, the role of the epigenetic mechanisms underlying the expression of immunoregulatory genes is less clear, especially in livestock species. Histone H3 lysine 9 dimethylation (H3K9me2) is an epigenetic modification associated with transcriptional silencing within the euchromatin regions. Euchromatic histone-lysine N-methyltransferase 2 (EHMT2; also known as G9a) is a crucial enzyme responsible for regulating the dynamics of this epigenetic modification. It has been shown that histone modifications play a role in regulating type I interferon (IFN) response. In the present study, we investigated the role of EHMT2 in the epigenetic regulation of bovine antiviral innate immunity and explored its therapeutic potential against viral infections. We evaluated the effects of pharmacological and RNAi-mediated inhibition of EHMT2 on the transcription of IFN- and other IFN-inducible antiviral genes, as well as its effect on foot-and-mouth disease virus (FMDV) and vesicular stomatitis virus (VSV) replication in bovine cells. We show that treatment of primary bovine cells with the synthetic EHMT2 inhibitor (UNC0638) either before or shortly after virus infection resulted in a significant increase in transcript levels of bovine IFN- (boIFN-; 300-fold) and other IFN-inducible genes, including IFN-stimulated gene 15 (ISG-15), myxovirus resistance 1 (Mx-1), Mx-2, RIG-I, 2,5-oligoadenylate synthetase 1 (OAS-1), and protein kinase R (PKR). Expression of these factors correlated with a significant decrease in VSV and FMDV viral titers. Our data confirm the involvement of EHMT2 in the epigenetic regulation of boIFN- and demonstrate the activation of a general antiviral state after EHMT2 inhibition.
C1 [Singh, Neetu; Ramirez-Carvajal, Lisbeth; Golding, Michael C.; Long, Charles R.] Texas A&M Univ, Dept Vet Physiol & Pharmacol, Coll Vet Med & Biomed Sci, College Stn, TX 77843 USA.
[Ramirez-Carvajal, Lisbeth] Plum Isl Anim Dis Ctr, Oak Ridge Inst Sci & Educ, Res Participat Program, Oak Ridge, TN USA.
[de los Santos, Teresa] ARS, Plum Isl Anim Dis Ctr, USDA, Greenport, NY USA.
RP Singh, N (reprint author), Texas A&M Univ, Dept Vet Physiol & Pharmacol, Coll Vet Med & Biomed Sci, 332 VMA, College Stn, TX 77843 USA.
EM nsingh@cvm.tamu.edu; clong@cvm.tamu.edu
OI GOLDING, MICHAEL/0000-0003-1631-2175
FU Texas A&M College of Veterinary Medicine and Biomedical Sciences Postdoc
Trainee Research Grant, Texas Agrilife Exceptional Research Pilot
Programs; [NIH-OD 8R240D011188-02]
FX This research was supported by the Texas A&M College of Veterinary
Medicine and Biomedical Sciences Postdoc Trainee Research Grant, Texas
Agrilife Exceptional Research Pilot Programs. N.S. was partially funded
through NIH-OD 8R240D011188-02. We thank Luis L. Rodriguez for his
supervision and assistance in conducting experiments at Plum Island
Animal Disease Center. We would also like to thank Kylee Veazey, Mike
Peoples, and Daria Muller for technical assistance.
NR 40
TC 0
Z9 0
U1 2
U2 7
PU MARY ANN LIEBERT, INC
PI NEW ROCHELLE
PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA
SN 1079-9907
EI 1557-7465
J9 J INTERF CYTOK RES
JI J. Interferon Cytokine Res.
PD JAN 1
PY 2016
VL 36
IS 1
BP 37
EP 47
DI 10.1089/jir.2015.0006
PG 11
WC Biochemistry & Molecular Biology; Cell Biology; Immunology
SC Biochemistry & Molecular Biology; Cell Biology; Immunology
GA DA7WD
UT WOS:000368014900005
PM 26418342
ER
PT J
AU Rettie, AJE
Chemelewski, WD
Wygant, BR
Lindemuth, J
Lin, JF
Eisenberg, D
Brauer, CS
Johnson, TJ
Beiswenger, TN
Ash, RD
Li, X
Zhou, JS
Mullins, CB
AF Rettie, Alexander J. E.
Chemelewski, William D.
Wygant, Bryan R.
Lindemuth, Jeffrey
Lin, Jung-Fu
Eisenberg, David
Brauer, Carolyn S.
Johnson, Timothy J.
Beiswenger, Toya N.
Ash, Richard D.
Li, Xiang
Zhou, Jianshi
Mullins, C. Buddie
TI Synthesis, electronic transport and optical properties of Si:alpha-Fe2O3
single crystals
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID SMALL POLARONS; ELECTRICAL-PROPERTIES; THIN-FILMS; MAGNETIC
SEMICONDUCTORS; ALPHA-FE2O3 PHOTOANODES; METAL-OXIDE; HEMATITE;
ABSORPTION; FE2O3; SUBSTITUTION
AB We report the synthesis of silicon-doped hematite (Si:alpha-Fe2O3) single crystals via chemical vapor transport, with Si incorporation on the order of 1019 cm(-3). The conductivity, Seebeck and Hall effect were measured in the basal plane between 200 and 400 K. Distinct differences in electron transport were observed above and below the magnetic transition temperature of hematite at similar to 265 K (the Morin transition, T-M). Above 265 K, transport was found to agree with the adiabatic small-polaron model, the conductivity was characterized by an activation energy of similar to 100 meV and the Hall effect was dominated by the weak ferromagnetism of the material. A room temperature electron drift mobility of similar to 10(-2) cm(2) V-1 s(-1) was estimated. Below TM, the activation energy increased to similar to 160 meV and a conventional Hall coefficient could be determined. In this regime, the Hall coefficient was negative and the corresponding Hall mobility was temperature-independent with a value of similar to 10(-1) cm(2) V-1 s(-1). Seebeck coefficient measurements indicated that the silicon donors were fully ionized in the temperature range studied. Finally, we observed a broad infrared absorption upon doping and tentatively assign the feature at similar to 0.8 eV to photon-assisted small-polaron hops. These results are discussed in the context of existing hematite transport studies.
C1 [Rettie, Alexander J. E.; Mullins, C. Buddie] Univ Texas Austin, McKetta Dept Chem Engn, Austin, TX 78712 USA.
[Chemelewski, William D.; Li, Xiang; Zhou, Jianshi; Mullins, C. Buddie] Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA.
[Wygant, Bryan R.; Mullins, C. Buddie] Univ Texas Austin, Dept Chem, Austin, TX 78712 USA.
[Lindemuth, Jeffrey] Lake Shore Cryotron, Westerville, OH 43082 USA.
[Lin, Jung-Fu] Univ Texas Austin, Dept Geol Sci, Austin, TX 78712 USA.
[Lin, Jung-Fu] Ctr High Pressure Sci & Technol Adv Res HPSTAR, Shanghai 201900, Peoples R China.
[Eisenberg, David] Univ Amsterdam, Vant Hoff Inst Mol Sci, NL-1098 XH Amsterdam, Netherlands.
[Brauer, Carolyn S.; Johnson, Timothy J.; Beiswenger, Toya N.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Ash, Richard D.] Univ Maryland, Dept Geol, College Pk, MD 20742 USA.
RP Mullins, CB (reprint author), Univ Texas Austin, McKetta Dept Chem Engn, Austin, TX 78712 USA.
EM mullins@che.utexas.edu
RI Lin, Jung-Fu/B-4917-2011
FU U.S. Department of Energy (DOE) [DE-FG02-09ER16119]; Welch Foundation
[F-1436]; Hemphill-Gilmore Endowed fellowship; NSFMIRT [DMR 1122603];
U.S. Department of Energy, National Nuclear Security Administration,
Office of Defense Nuclear Nonproliferation RD [NA-22]; U.S. DOE
[DE-AC05-76RLO1830]
FX The authors gratefully acknowledge the U.S. Department of Energy (DOE)
Grant DE-FG02-09ER16119 and Welch Foundation Grant F-1436. We thank A.
J. Bard and J. Y. Kim for the use of the three-zone furnace used in this
work and D. Emin for useful discussions. A. J. E. R. acknowledges the
Hemphill-Gilmore Endowed fellowship for financial support. J.-S. Z. was
supported by NSFMIRT DMR 1122603. Finally, we acknowledge B. A. Korgel
for help with diffuse reflectance vis-NIR spectroscopy measurements.
Work at PNNL was supported in part by the U.S. Department of Energy,
National Nuclear Security Administration, Office of Defense Nuclear
Nonproliferation R&D (NA-22). PNNL is operated by Battelle for the U.S.
DOE under Contract DE-AC05-76RLO1830.
NR 64
TC 1
Z9 1
U1 7
U2 27
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 2016
VL 4
IS 3
BP 559
EP 567
DI 10.1039/c5tc03368c
PG 9
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA DA7LN
UT WOS:000367985700018
ER
PT J
AU Biner, SB
Rao, WF
Zhang, YF
AF Biner, S. B.
Rao, Weifeng
Zhang, Yongfeng
TI The stability of precepitates and the role of lattice defects in Fe-1at%
Cu-1at%Ni-1at%Mn alloy: A phase-field model study
SO JOURNAL OF NUCLEAR MATERIALS
LA English
DT Article
ID PRESSURE-VESSEL STEELS; KINETIC MONTE-CARLO; FE-CU ALLOY; ATOM-PROBE;
ION MICROSCOPY; ALPHA-FE; PRECIPITATION; COPPER; EMBRITTLEMENT;
IRRADIATION
AB In the first part of this study, the stability of Cu precipitates, up to 2 nm in diameter, in Fe-1at%Cu-1at%Ni-1at%Mn system was evaluated within the framework of phase-field modeling by utilizing a thermodynamic database. The implanted precipitates either in isolated or in clustered arrangements, were unstable and dissolved into the matrix. The dissolution rate decreases with increasing precipitate size; however, it is strongly influenced by the spatial arrangements of the implants and the overall alloy content. In the second part, the precipitation/segregation behavior at a circular dislocation, and square prismatic loops was parametrically studied. While precipitates formed at the dislocation loop, a significant segregation of Cu was observed at prismatic loops with either vacancy or interstitial character. Although, the both types of prismatic loops provide the spatial evolution of the stress-fields with the same absolute magnitude, the vacancy loops appears to be stronger sinks and their sink strength increases with decreasing loop size. The results clearly show the necessity of inclusion of the underlying lattice defects in the microstructure modeling of materials under the irradiation environments. Published by Elsevier B.V.
C1 [Biner, S. B.; Rao, Weifeng; Zhang, Yongfeng] Idaho Natl Lab, Fuels Modeling & Simulat Dept, Idaho Falls, ID 83415 USA.
RP Biner, SB (reprint author), Idaho Natl Lab, Fuels Modeling & Simulat Dept, Idaho Falls, ID 83415 USA.
EM Bulent.Biner@inl.gov
FU LDRD at Idaho National Laboratory [INL-LDRD-13-013]
FX The authors acknowledge the funding provided for this work through a
LDRD at Idaho National Laboratory (INL-LDRD-13-013).
NR 38
TC 0
Z9 0
U1 7
U2 15
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 2016
VL 468
BP 9
EP 16
DI 10.1016/j.jnucmat.2015.10.062
PG 8
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA DA4HT
UT WOS:000367761700002
ER
PT J
AU Skinner, CH
Capece, AM
Roszell, JP
Koel, BE
AF Skinner, C. H.
Capece, A. M.
Roszell, J. P.
Koel, B. E.
TI Spreading of lithium on a stainless steel surface at room temperature
SO JOURNAL OF NUCLEAR MATERIALS
LA English
DT Article
DE Lithium; Stainless steel; Surface analysis; P0500 plasma-materials
interaction; L0300 lithium; S1300 surface effects; R0900 redeposition
ID LIQUID LITHIUM; TOKAMAK; FILMS; DYNAMICS; SYSTEM; OXIDE; METAL; IRON
AB Lithium conditioned plasma facing surfaces have lowered recycling and enhanced plasma performance on many fusion devices and liquid lithium plasma facing components are under consideration for future machines. A key factor in the performance of liquid lithium components is the wetting by lithium of its container. We have observed the surface spreading of lithium from a mm-scale particle to adjacent stainless steel surfaces using a scanning Auger microprobe that has elemental discrimination. The spreading of lithium occurred at room temperature (when lithium is a solid) from one location at a speed of 0.62 mu m/day under ultrahigh vacuum conditions. Separate experiments using temperature programmed desorption (TPD) investigated bonding energetics between monolayer-scale films of lithium and stainless steel. While multilayer lithium desorption from stainless steel begins to occur just above 500 K (E-des = 1.54 eV), sub-monolayer Li desorption occurred in a TPD peak at 942 K (E-des = 2.52 eV) indicating more energetically favorable lithium-stainless steel bonding (in the absence of an oxidation layer) than lithium lithium bonding. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Skinner, C. H.; Capece, A. M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[Roszell, J. P.; Koel, B. E.] Princeton Univ, Dept Chem & Biol Engn, Princeton, NJ 08540 USA.
RP Skinner, CH (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
EM cskinner@pppl.gov
FU U.S. DOE [DE AC02-09CH11466, DE-SC0008598]
FX The authors thank D. Labrie, G. Smalley and A. Plasencia for technical
assistance. Support was provided by the U.S. DOE Contract Nos. DE
AC02-09CH11466. BEK acknowledges support by the U.S. DOE under Award
Number DE-SC0008598.
NR 32
TC 1
Z9 1
U1 4
U2 18
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 2016
VL 468
BP 26
EP 30
DI 10.1016/j.jnucmat.2015.10.059
PG 5
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA DA4HT
UT WOS:000367761700004
ER
PT J
AU Hart, CA
Skinner, CH
Capece, AM
Koel, BE
AF Hart, C. A.
Skinner, C. H.
Capece, A. M.
Koel, B. E.
TI Sorption of atmospheric gases by bulk lithium metal
SO JOURNAL OF NUCLEAR MATERIALS
LA English
DT Article
ID OXIDATION; SURFACES
AB Lithium conditioning of plasma facing components has enhanced the performance of several fusion devices. Elemental lithium will react with air during maintenance activities and with residual gases (H2O, CO, CO2) in the vacuum vessel during operations. We have used a mass balance (microgram sensitivity) to measure the mass gain of lithium samples during exposure of a similar to 1 cm(2) surface to ambient and dry synthetic air. For ambient air, we found an initial mass gain of several mg/h declining to less than 1 mg/h after an hour and decreasing by an order of magnitude after 24 h. A 9 mg sample achieved a final mass gain corresponding to complete conversion to Li2CO3 after 5 days. Exposure to dry air resulted in a 30 times lower initial rate of mass gain. The results have implications for the chemical state of lithium plasma facing surfaces and for safe handling of lithium coated components. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Hart, C. A.] Univ Maryland, Dept Phys, College Pk, MD 20742 USA.
[Skinner, C. H.; Capece, A. M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[Koel, B. E.] Princeton Univ, Dept Chem & Biol Engn, Princeton, NJ 08544 USA.
RP Skinner, CH (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
EM cskinner@pppl.gov
OI Koel, Bruce/0000-0002-0032-4991
FU US DOE [DE AC02-09CH11466]; US DOE Summer Undergraduate Laboratory
Internship program; Department of Energy [DE-SCOOO859B]
FX The authors would like to thank M. Jaworski, R. Kaita, R. Majeski, S.
Rossi, J. Roszell, and B. Slavin for their assistance in this research.
The technical support of T. Holoman, D. Labrie, T. Provost, and G.
Smalley was invaluable. We thank the Department of Science Education at
PPPL, especially D. Ortiz. Support was provided by the US DOE Contract
No. DE AC02-09CH11466 and the US DOE Summer Undergraduate Laboratory
Internship program. BEK acknowledges support by the Department of Energy
under Award Number DE-SCOOO859B.
NR 12
TC 0
Z9 0
U1 3
U2 7
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 2016
VL 468
BP 71
EP 77
DI 10.1016/j.jnucmat.2015.11.006
PG 7
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA DA4HT
UT WOS:000367761700009
ER
PT J
AU Riley, BJ
Lepry, WC
Crum, JV
AF Riley, Brian J.
Lepry, William C.
Crum, Jarrod V.
TI Solution-derived sodalite made with Si- and Ge-ethoxide precursors for
immobilizing electrorefiner salt
SO JOURNAL OF NUCLEAR MATERIALS
LA English
DT Article
DE Sodalite; Electrochemical waste forms; Eutectic salt; Ethoxide; Alkoxide
ID CRYSTAL-STRUCTURE; ALUMINOSILICATE SODALITES; GERMANIUM DIOXIDE; SIMPLE
SILICATES; HIGH-PRESSURE; WASTE FORMS; X-RAY; GLASS; TRANSITION; IONS
AB Chlorosodalite has the general form of Na-8(AlSiO4)(6)Cl-2 and this paper describes experiments conducted to synthesize sodalite with a solution-based approach to immobilize a simulated spent electrorefiner salt solution containing a mixture of alkali, alkaline earth, and lanthanide chlorides. The reactants used were the salt solution, NaAlO2, and either Si(OC2H5)(4) or Ge(OC2H5)(4). Additionally, seven different glass sintering aids (at loadings of 5 mass%) were evaluated as sintering aids for consolidating the as-made powders using a cold-press-and-sinter technique. This process of using alkoxide additives for the Group IV component can be used to produce large quantities of sodalite at near-room temperature as compared to a method where colloidal silica was used as the silica source. However, the small particle sizes inhibited densification during heat treatments. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Riley, Brian J.; Lepry, William C.; Crum, Jarrod V.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Riley, BJ (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM brian.riley@pnnl.gov
OI Riley, Brian/0000-0002-7745-6730
FU Department of Energy Office of Nuclear Energy under the Fuel Cycle
Research and Development Program; Idaho National Laboratory through the
Korean Atomic Energy Research Institute; [DE-AC05-76RL01830]
FX Pacific Northwest National Laboratory is operated by the U.S. Department
of Energy under Contract Number DE-AC05-76RL01830. The authors thank
Jared Kroll for his help with measuring density on the NaAlP glass,
Nathan Canfield for helpful comments, and Josef Matyas for helpful
discussions. This work was conducted with funding support from the
Department of Energy Office of Nuclear Energy under the Fuel Cycle
Research and Development Program with partial support from a subcontract
from Idaho National Laboratory through the Korean Atomic Energy Research
Institute.
NR 44
TC 0
Z9 0
U1 3
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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 2016
VL 468
BP 140
EP 146
DI 10.1016/j.jnucmat.2015.11.011
PG 7
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA DA4HT
UT WOS:000367761700016
ER
PT J
AU Tallman, DJ
He, LF
Garcia-Diaz, BL
Hoffman, EN
Kohse, G
Sindelar, RL
Barsoum, MW
AF Tallman, Darin J.
He, Lingfeng
Garcia-Diaz, Brenda L.
Hoffman, Elizabeth N.
Kohse, Gordon
Sindelar, Robert L.
Barsoum, Michel W.
TI Effect of neutron irradiation on defect evolution in Ti3SiC2 and Ti2AlC
SO JOURNAL OF NUCLEAR MATERIALS
LA English
DT Article
DE Ti3SiC2; Ti2AlC; MAX phases; Neutron irradiation; Dislocation loops
ID ELECTRICAL-RESISTIVITY; TEMPERATURE-RANGE; MICROSTRUCTURAL EVOLUTION;
MECHANICAL-PROPERTIES; TITANIUM CARBIDE; ION IRRADIATION; MAX PHASES;
HEAVY-IONS; TI3ALC2; DAMAGE
AB Herein we report on the characterization of defects formed in polycrystalline Ti3SiC2 and Ti2AlC samples exposed to neutron irradiation up to 0.1 displacements per atom (dpa) at 350 +/- 40 degrees C or 695 +/- 25 degrees C, and up to 0.4 dpa at 350 +/- 40 degrees C. Black spots are observed in both Ti3SiC2 and Ti2AlC after irradiation to both 0.1 and 0.4 dpa at 350 degrees C. After irradiation to 0.1 dpa at 695 degrees C, small basal dislocation loops, with a Burgers vector of b = 1/2 [0001] are observed in both materials. At 9 +/- 3 and 10 +/- 5 nm, the loop diameters in the Ti3SiC2 and Ti2AlC samples, respectively, were comparable. At 1 x 10(23) loops/m(3), the dislocation loop density in Ti2AlC was approximate to 1.5 orders of magnitude greater than in Ti3SiC2, at 3 x 10(21) loops/m(3). After irradiation at 350 degrees C, extensive microcracking was observed in Ti2AlC, but not in Ti3SiC2. The room temperature electrical resistivities increased as a function of neutron dose for all samples tested, and appear to saturate in the case of Ti3SiC2. The MAX phases are unequivocally more neutron radiation tolerant than the impurity phases TiC and Al2O3. Based on these results, Ti3SiC2 appears to be a more promising MAX phase candidate for high temperature nuclear applications than Ti2AlC. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Tallman, Darin J.; Barsoum, Michel W.] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA.
[He, Lingfeng] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
[Garcia-Diaz, Brenda L.; Hoffman, Elizabeth N.; Sindelar, Robert L.] Savannah River Natl Lab, Aiken, SC 29808 USA.
[Kohse, Gordon] MIT, Nucl Reactor Lab, Cambridge, MA 02139 USA.
RP Tallman, DJ (reprint author), Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA.
EM tallman@drexel.edu; barsoumw@drexel.edu
OI He, Lingfeng/0000-0003-2763-1462
FU U.S. Department of Energy Office of Nuclear Energy University Program;
Office of Nuclear Energy under DOE Idaho Operations Office as part of an
ATR National Scientific User Facility [DE-AC07-051D14517]
FX This research is supported by the U.S. Department of Energy Office of
Nuclear Energy University Program and the Office of Nuclear Energy under
DOE Idaho Operations Office Contract DE-AC07-051D14517, as part of an
ATR National Scientific User Facility experiment. The authors would like
to thank Joanna Taylor, Jatuporn Burns, Kristi Moser-McIntire, Yaqiao
Wu, and Bryan Forsmann for their invaluable assistance at the Center for
Advanced Energy Studies. We also thank Collin Knight, Karen Wright, and
Brandon Miller for their assistance with handling and preparation of the
irradiated samples at the Materials and Fuels Complex at Idaho National
Laboratory.
NR 63
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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 2016
VL 468
BP 194
EP 206
DI 10.1016/j.jnucmat.2015.10.030
PG 13
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA DA4HT
UT WOS:000367761700022
ER
PT J
AU Barashev, AV
Golubov, SI
Stoller, RE
AF Barashev, A. V.
Golubov, S. I.
Stoller, R. E.
TI Theoretical investigation of microstructure evolution and deformation of
zirconium under neutron irradiation (vol 461, pg 85, 2015)
SO JOURNAL OF NUCLEAR MATERIALS
LA English
DT Correction
C1 [Barashev, A. V.; Golubov, S. I.; Stoller, R. E.] ORNL, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Barashev, A. V.] Univ Tennessee, Dept Mat Sci & Engn, Ctr Mat Proc, Knoxville, TN 37996 USA.
RP Barashev, AV (reprint author), ORNL, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
EM barashevav@ornl.gov
NR 1
TC 0
Z9 0
U1 3
U2 6
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 2016
VL 468
BP 207
EP 207
DI 10.1016/j.jnucmat.2015.10.039
PG 1
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA DA4HT
UT WOS:000367761700023
ER
PT J
AU Gussev, MN
McClintock, DA
Garner, FA
AF Gussev, M. N.
McClintock, D. A.
Garner, F. A.
TI Analysis of structure and deformation behavior of AISI 316L tensile
specimens from the second operational target module at the Spallation
Neutron Source
SO JOURNAL OF NUCLEAR MATERIALS
LA English
DT Article
DE Spallation Neutron Source; 316L stainless steel; Neutron irradiation;
Proton irradiation; Tensile behavior; deformation wave phenomenon;
Transformation induced plasticity (TRIP); Phase transformation
ID AUSTENITIC STAINLESS-STEELS; CARBURIZED SURFACE-LAYER; HIGH-ENERGY
PROTONS; MECHANICAL-PROPERTIES; MARTENSITIC TRANSFORMATIONS; CONTAINER
MATERIALS; SINGLE-CRYSTALS; TRIP STEELS; PURE METALS; IRRADIATION
AB In an earlier publication, tensile testing was performed on specimens removed from the first two operational targets of the Spallation Neutron Source (SNS). There were several anomalous features in the results. First, some specimens had very large elongations (up to 57%) while others had significantly smaller values (10-30%). Second, there was a larger than the usual amount of data scatter in the elongation results. Third, the stress strain diagrams of nominally similar specimens spanned a wide range of behavior ranging from expected irradiation-induced hardening to varying levels. of force drop after yield point and indirect signs of "traveling deformation wave" behavior associated with strain-induced martensite formation. To investigate the cause(s) of such variable tensile behavior, several specimens from Target 2, spanning the range of observed tensile behavior, were chosen for detailed microstructural examination using electron backscatter diffraction (EBSD) analysis. It was shown that the steel employed in the construction of the target contained an unexpected bimodal grain size distribution, containing very large out-of-specification grains surrounded by "necklaces" of grains of within-specification sizes. The large grains were frequently comparable to the width of the gauge section of the tensile specimen. The propensity to form martensite during deformation was shown to be accelerated by radiation but also to be very sensitive to the relative orientation of the grains with respect to the tensile axis. Specimens having large grains in the gauge that were most favorably oriented for production of martensite strongly exhibited the traveling deformation wave phenomenon, while those specimens with less favorably oriented grains had lesser or no degree of the wave effect, thereby accounting for the observed data scatter. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Gussev, M. N.; McClintock, D. A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Garner, F. A.] Radiat Effects Consulting, Richland, WA USA.
RP McClintock, DA (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM mcclintockda@ornl.gov
OI McClintock, David/0000-0002-9292-8951
FU ORNL's Center for Nanophase Materials Sciences (CNMS) - Scientific User
Facilities Division, Office of Basic Energy Sciences, U.S. Department of
Energy
FX This research was supported by ORNL's Center for Nanophase Materials
Sciences (CNMS), which is sponsored by the Scientific User Facilities
Division, Office of Basic Energy Sciences, U.S. Department of Energy.
The authors would like to thank Dr. J.T. Busby and Dr. C.M. Parish
(ORNL) for the thoughtful discussions of the experimental results, and
P.S. Tedder and A.M. Williams (ORNL) for the help with irradiated
specimen handling.
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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 2016
VL 468
BP 210
EP 220
DI 10.1016/j.jnucmat.2015.07.013
PG 11
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA DA4HT
UT WOS:000367761700025
ER
PT J
AU Maloy, SA
Saleh, TA
Anderoglu, O
Romero, TJ
Odette, GR
Yamamoto, T
Li, S
Cole, JI
Fielding, R
AF Maloy, S. A.
Saleh, T. A.
Anderoglu, O.
Romero, T. J.
Odette, G. R.
Yamamoto, T.
Li, S.
Cole, J. I.
Fielding, R.
TI Characterization and comparative analysis of the tensile properties of
five tempered martensitic steels and an oxide dispersion strengthened
ferritic alloy irradiated at approximate to 295 degrees C to approximate
to 6.5 dpa
SO JOURNAL OF NUCLEAR MATERIALS
LA English
DT Article
DE Ferritic; Irradiation; Cladding; Reactor
ID CLEAVAGE FRACTURE-TOUGHNESS; RESEARCH-AND-DEVELOPMENT; RECENT PROGRESS;
CONSTRAINT LOSS; MECHANICAL-PROPERTIES; HELIUM; EMBRITTLEMENT;
LOCALIZATION; TRANSITION; EVOLUTION
AB Tensile test results at 25 and 300 degrees C on five 9-12Cr tempered martensitic steels and one 14Cr oxide dispersion strengthened alloy, that were side-by side irradiated to 6.5 dpa at 295 degrees C in the Advanced Test Reactor (ATR), are reported. The engineering stress strain curves are analyzed to provide true stress-strain constitutive sigma(epsilon) laws for all of these alloys. In the irradiated condition, the sigma(epsilon) fall into categories of: strain softening, nearly perfectly plastic and strain hardening. Increases in yield stress (Delta sigma(y)) and reductions in uniform strain ductility (e(u)) are observed, where the latter can be understood in terms of the alloy's sigma(epsilon) behavior. Increases in the average sigma(epsilon) in the range of 0-10% strain are smaller than the corresponding Delta sigma(y), and vary more from alloy to alloy. The data are also analyzed to establish relations between Delta sigma(y), and coupled changes in the ultimate stresses as well as the effects of both test temperature and the unirradiated yield stress (sigma(yu)). The latter shows that higher sigma(yu) correlates with lower Delta sigma(y). In five out of six cases the effects of irradiation are generally consistent with previous observations on these alloys. However, the particular heat of the 12Cr HT-9 tempered martensitic steel in this study has a much higher e(u) than observed for earlier heats. The reasons for this improved behavior are not understood and may be microstructural in origin. However, it is noted that the new heat of HT-9, which was procured under modern quality assurance standards, has lower interstitial nitrogen than previous heats. Notably lower interstitial solute contents correlate with improved ductility and homogenous deformation in broadly similar steels. Published by Elsevier B.V.
C1 [Maloy, S. A.; Anderoglu, O.] Los Alamos Natl Lab, MST 8, Los Alamos, NM 87545 USA.
[Saleh, T. A.] Los Alamos Natl Lab, MST 16, Los Alamos, NM 87545 USA.
[Romero, T. J.] Los Alamos Natl Lab, C IIAC, Los Alamos, NM 87545 USA.
[Odette, G. R.; Yamamoto, T.; Li, S.] Univ Calif Santa Barbara, Dept Mech Engn, Santa Barbara, CA 93106 USA.
[Cole, J. I.] Idaho Natl Lab, Nucl Sci User Facil, Idaho Falls, ID 83415 USA.
[Fielding, R.] Idaho Natl Lab, Fuel Fabricat & Characterizat Dept, Idaho Falls, ID 83415 USA.
RP Maloy, SA (reprint author), Los Alamos Natl Lab, MST 8, POB 1663, Los Alamos, NM 87545 USA.
EM maloy@lanl.gov
RI Maloy, Stuart/A-8672-2009
OI Maloy, Stuart/0000-0001-8037-1319
FU Advanced Fuels Campaign of the Department of Energy's (DOE) Fuel Cycle
Research and Development Program; DOE NEUP [NU-11-3150]; Office of
Fusion Energy Science [DE-FG03-94ER54275]
FX This work at LANL was funded under the Advanced Fuels Campaign of the
Department of Energy's (DOE) Fuel Cycle Research and Development
Program. The work at UCSB was funded by DOE NEUP (NU-11-3150) and Office
of Fusion Energy Science (DE-FG03-94ER54275) grants. The UCSB ATR-1
irradiations were carried out as part of the National Scientific Users
Facility program, with the assistance of a large number of outstanding
engineers. The help of Colin Knight in arranging shipment of the
specimens from INL to LANL is greatly appreciated. Special thanks also
go to UCSB staff members Doug Klingensmith and David Gragg who played
the key roles in building the experiment and former PhD student, Dr.
Nicholas Cunningham, who carried out the thermal design analysis.
NR 39
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U1 9
U2 23
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 2016
VL 468
BP 232
EP 239
DI 10.1016/j.jnucmat.2015.07.039
PG 8
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA DA4HT
UT WOS:000367761700028
ER
PT J
AU Sun, XQ
Luo, HM
Mahurin, SM
Liu, R
Hou, XS
Dai, S
AF Sun Xiaoqi
Luo Huimin
Mahurin, Shannon M.
Liu Rui
Hou Xisen
Dai Sheng
TI Adsorption of rare earth ions using carbonized polydopamine nano carbon
shells
SO JOURNAL OF RARE EARTHS
LA English
DT Article
DE carbon shells; rare earths; adsorption; separation
ID HIERARCHICALLY IMPRINTED SORBENTS; METAL-IONS; MESOPOROUS SILICA;
LIQUID-EXTRACTION; AQUEOUS-SOLUTIONS; SEPARATION; RESIN; CHROMATOGRAPHY;
COMPOSITE; DOPAMINE
AB Herein we reported the structure effects of carbon nano-shells prepared by the carbonization of polydopamine for the adsorption of rare earth elements (REEs) for the first time. Solid carbon spheres, 60 nm carbon shells and 500 nm carbon shells were prepared and evaluated for adsorption and desorption of REEs. The adsorption performance of carbon nano-shells for REEs was far superior to the solid carbon spheres. In addition, the effect of acidity on the adsorption and desorption properties was discussed. The good adsorption performance of the carbon nano-shells could be attributed to their pore structure, specific surface area, and the presence of both amine and carbonyl groups from the grafted dopamine.
C1 [Sun Xiaoqi; Mahurin, Shannon M.; Liu Rui; Hou Xisen; Dai Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Luo Huimin] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA.
[Dai Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37916 USA.
[Sun Xiaoqi] Chinese Acad Sci, Haixi Inst, Xiamen Inst Rare Earth Mat, Xiamen 361021, Peoples R China.
RP Sun, XQ (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
EM xqsun@fjirsm.ac.cn; luoh@ornl.gov
RI Dai, Sheng/K-8411-2015
OI Dai, Sheng/0000-0002-8046-3931
FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences, and Biosciences
FX Project supported by the U.S. Department of Energy, Office of Basic
Energy Sciences, Division of Chemical Sciences, Geosciences, and
Biosciences
NR 36
TC 3
Z9 3
U1 22
U2 59
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1002-0721
J9 J RARE EARTH
JI J. Rare Earths
PD JAN
PY 2016
VL 34
IS 1
BP 77
EP 82
DI 10.1016/S1002-0721(14)60582-2
PG 6
WC Chemistry, Applied
SC Chemistry
GA DA8EP
UT WOS:000368038200013
ER
PT J
AU Diaz, A
Malkova, B
Holler, M
Guizar-Sicairos, M
Lima, E
Panneels, V
Pigino, G
Bittermann, AG
Wettstein, L
Tomizaki, T
Bunk, O
Schertler, G
Ishikawa, T
Wepf, R
Menzel, A
AF Diaz, Ana
Malkova, Barbora
Holler, Mirko
Guizar-Sicairos, Manuel
Lima, Enju
Panneels, Valerie
Pigino, Gaia
Bittermann, Anne Greet
Wettstein, Larissa
Tomizaki, Takashi
Bunk, Oliver
Schertler, Gebhard
Ishikawa, Takashi
Wepf, Roger
Menzel, Andreas
TI Three-dimensional mass density mapping of cellular ultrastructure by
ptychographic X-ray nanotomography (vol 192, pg 461, 2015)
SO JOURNAL OF STRUCTURAL BIOLOGY
LA English
DT Correction
C1 [Diaz, Ana; Malkova, Barbora; Holler, Mirko; Guizar-Sicairos, Manuel; Panneels, Valerie; Wettstein, Larissa; Tomizaki, Takashi; Bunk, Oliver; Schertler, Gebhard; Ishikawa, Takashi; Menzel, Andreas] Paul Scherrer Inst, CH-5232 Villigen, Switzerland.
[Lima, Enju] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Pigino, Gaia] Max Planck Inst Mol Cell Biol & Genet, D-01307 Dresden, Germany.
[Bittermann, Anne Greet; Wepf, Roger] ETH, Sci Ctr Opt & Electron Microscopy, CH-8093 Zurich, Switzerland.
RP Diaz, A (reprint author), Paul Scherrer Inst, CH-5232 Villigen, Switzerland.
EM ana.diaz@psi.ch
RI Guizar-Sicairos, Manuel/I-4899-2013; Diaz, Ana/I-4139-2013; Menzel,
Andreas/C-4388-2012; Bunk, Oliver/B-7602-2013; Holler,
Mirko/I-3962-2014; Pigino, Gaia/C-7928-2017; Ishikawa,
Takashi/E-5023-2017
OI Diaz, Ana/0000-0003-0479-4752; Menzel, Andreas/0000-0002-0489-609X;
Bunk, Oliver/0000-0001-6563-4053; Pigino, Gaia/0000-0002-2295-9568;
Ishikawa, Takashi/0000-0002-1976-7477
NR 1
TC 0
Z9 0
U1 2
U2 5
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 1047-8477
EI 1095-8657
J9 J STRUCT BIOL
JI J. Struct. Biol.
PD JAN
PY 2016
VL 193
IS 1
BP 83
EP 83
DI 10.1016/j.jsb.2015.12.003
PG 1
WC Biochemistry & Molecular Biology; Biophysics; Cell Biology
SC Biochemistry & Molecular Biology; Biophysics; Cell Biology
GA DB2DE
UT WOS:000368317700009
ER
PT J
AU Shoulders, WT
Bizarri, G
Bourret, E
Gaume, RM
AF Shoulders, W. Taylor
Bizarri, Gregory
Bourret, Edith
Gaume, Romain M.
TI Influence of Process Parameters on the Morphology of Spray-Dried BaCl2
Powders
SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY
LA English
DT Article
ID SPHERICAL-PARTICLES; SINGLE-CRYSTAL; EVAPORATION; DROPLET; KINETICS
AB Spray-drying is an effective method for producing powder aggregates with controlled size and morphology. Here, we report on a systematic study aimed at determining how spray-drying parameters such as nozzle temperature, gas flow, salt concentration and solution feed rate, influence the characteristics of BaCl2 granules prepared from aqueous solutions. We correlate the granule characteristics to these conditions through the use of processing maps and modeling. It is found that well-dispersed, high density and spherical aggregates, which are favorable for subsequent powder compaction and sintering, can be obtained within a limited range of processing conditions.
C1 [Shoulders, W. Taylor; Gaume, Romain M.] Univ Cent Florida, CREOL, Coll Opt & Photon, Orlando, FL 32816 USA.
[Bizarri, Gregory; Bourret, Edith] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA USA.
[Gaume, Romain M.] Univ Cent Florida, NanoSci Technol Ctr, Orlando, FL 32816 USA.
RP Shoulders, WT (reprint author), Univ Cent Florida, CREOL, Coll Opt & Photon, Orlando, FL 32816 USA.
EM tshoulders@knights.ucf.edu
FU U.S. Department of Energy/NNSA/DNN RD; Lawrence Berkeley National
Laboratory [AC02-05CH11231]
FX The authors acknowledge the work of Baochi Doan. This work has been
supported by the U.S. Department of Energy/NNSA/DNN R&D and carried out
at the University of Central Florida and the Lawrence Berkeley National
Laboratory, under Contract NO. AC02-05CH11231. This support does not
constitute an express or implied endorsement on the part of the
Government.
NR 40
TC 0
Z9 0
U1 1
U2 8
PU WILEY-BLACKWELL
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 2016
VL 99
IS 1
BP 20
EP 26
DI 10.1111/jace.13869
PG 7
WC Materials Science, Ceramics
SC Materials Science
GA DA8SQ
UT WOS:000368076800005
ER
PT J
AU Hunault, M
Bauchau, F
Loisel, C
Herold, M
Galoisy, L
Newville, M
Calas, G
AF Hunault, Myrtille
Bauchau, Fanny
Loisel, Claudine
Herold, Michel
Galoisy, Laurence
Newville, Matthew
Calas, Georges
TI Spectroscopic Investigation of the Coloration and Fabrication Conditions
of Medieval Blue Glasses
SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY
LA English
DT Article
ID TRANSITION-METAL IONS; SILICATE-GLASSES; PRE-EDGE; XANES SPECTROSCOPY;
ABSORPTION SPECTROSCOPY; OPTICAL SPECTROSCOPY; REDOX-REACTIONS; ANCIENT
GLASS; WINDOW GLASS; MELTS
AB Potash- and soda-lime-stained glasses from the 12th-13th centuries, blue-colored by cobalt, have been investigated by Mn, Fe, and Cu K-edge X-ray and optical absorption spectroscopies in order to determine the oxidation state of these elements and their impact on the blue color. Remelting these historical glasses in air at 1200 degrees C, the estimated temperature of medieval furnaces, revealed that these four glasses are more reduced before remelting. This favors Mn as weakly absorbing Mn2+, Fe as Fe2+ and Cu as colorless Cu+. Therefore Fe2+ is the second blue chromophore and copper was not intentionally used by glassmakers to obtain a blue color. A colorimetric analysis indicates that these specific melting conditions have a limited effect on the blue color of these glasses. Based on the spectroscopic determination of the redox state of Fe, Mn, and Cu, we estimate the oxygen partial pressure in medieval furnaces to be 10(-7)-10(-9) and 10(-5)bar for the potash- and soda-lime samples, respectively. The comparison with previous results enables to prove the evolution of furnace technology over centuries.
C1 [Hunault, Myrtille; Bauchau, Fanny; Loisel, Claudine] CNRS, Lab Rech Monuments Hist, CRC,Minist Culture & Commun, Museum Natl Hist Naturelle,USR 3224, F-77420 Champs Sur Marne, France.
[Hunault, Myrtille; Galoisy, Laurence; Calas, Georges] Univ Paris 06, Inst Mineral Phys Mat & Cosmochim, CNRS, UMR 7590, F-75005 Paris, France.
[Herold, Michel] Sorbonne Univ, Ctr Andre Chastel, Minist Culture & Commun, CNRS,UMR 8150, F-75002 Paris, France.
[Newville, Matthew] Univ Chicago, Consortium Adv Radiat Sci, Adv Photon Source, GSECARS, Argonne, IL 60439 USA.
RP Hunault, M (reprint author), CNRS, Lab Rech Monuments Hist, CRC,Minist Culture & Commun, Museum Natl Hist Naturelle,USR 3224, F-77420 Champs Sur Marne, France.
EM myrtille.hunault@impmc.upmc.fr
RI Calas, Georges/B-2445-2012;
OI Calas, Georges/0000-0003-0525-5734; Hunault,
Myrtille/0000-0002-3754-8630
FU Convergence Project VITRAUX of Sorbonne Universite [SU-14-R-ScPC-15-2];
National Science Foundation-Earth Sciences [EAR-1128799]; Department of
Energy-Geosciences [DE-FG02-94ER14466]; U. S. Department of Energy,
Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]
FX This work is part of the Convergence Project VITRAUX (SU-14-R-ScPC-15-2)
of Sorbonne Universite. Portions of this work were performed at
GeoSoilEnviroCARS (Sector 13), Advanced Photon Source, Argonne National
Laboratory. GeoSoilEnviroCARS is supported by the National Science
Foundation-Earth Sciences (EAR-1128799) and Department of
Energy-Geosciences (DE-FG02-94ER14466). 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. The review from anonymous referees greatly
contributed to improve this paper.
NR 55
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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 2016
VL 99
IS 1
BP 89
EP 97
DI 10.1111/jace.13783
PG 9
WC Materials Science, Ceramics
SC Materials Science
GA DA8SQ
UT WOS:000368076800015
ER
PT J
AU Hilliard, Z
Hrma, P
AF Hilliard, Zachary
Hrma, Pavel
TI A Method for Determining Bulk Density, Material Density, and Porosity
ofMelter Feed During Nuclear Waste Vitrification
SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY
LA English
DT Article
ID COLD-CAP; MOLTEN GLASS; MELTER FEED; BATCH; CONVERSION; DISSOLUTION;
MODEL; SILICA; TEMPERATURE; PARTICLES
AB Glassmelting efficiency largely depends on heat transfer to reacting glass batch (melter feed), which in turn is influenced by the bulk density ((b)) and porosity (phi) of the reacting feed as functions of temperature (T). Neither (b)(T) nor phi(T) functions are readily accessible from direct measurements. For the determination of (b), we monitored the profile area of heated feed pellets and calculated the pellet volume using numerical integration. For the determination of phi, we measured the material density of feeds quenched at various stages of conversion via pycnometry and then computed the feed density at heat-treatment temperature using thermal expansion values of basic feed constituents.
C1 [Hilliard, Zachary; Hrma, Pavel] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Hilliard, Z (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM zachary.hilliard@pnnl.gov
FU U.S. Department of Energy [DE-AC05-76RL01830]; U.S. Department of
Energy's Waste Treatment and Immobilization Plant Federal Project Office
FX Pacific Northwest National Laboratory is operated for the U.S.
Department of Energy by Battelle under Contract DE-AC05-76RL01830. This
work was supported by the U.S. Department of Energy's Waste Treatment
and Immobilization Plant Federal Project Office under the direction of
Dr. Albert A. Kruger. The authors thank David Pierce and Brad Vanderveer
for data collection and Carmen Rodriguez for density measurement.
NR 35
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PU WILEY-BLACKWELL
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 2016
VL 99
IS 1
BP 98
EP 105
DI 10.1111/jace.13919
PG 8
WC Materials Science, Ceramics
SC Materials Science
GA DA8SQ
UT WOS:000368076800016
ER
PT J
AU Ramasamy, M
Baumann, S
Palisaitis, J
Schulze-Kuppers, F
Balaguer, M
Kim, D
Meulenberg, WA
Mayer, J
Bhave, R
Guillon, O
Bram, M
AF Ramasamy, Madhumidha
Baumann, Stefan
Palisaitis, Justinas
Schulze-Kueppers, Falk
Balaguer, Maria
Kim, Daejin
Meulenberg, Wilhelm A.
Mayer, Jochim
Bhave, Ramesh
Guillon, Olivier
Bram, Martin
TI Influence of Microstructure and Surface Activation of Dual-Phase
Membrane Ce0.8Gd0.2O2--FeCo2O4 on Oxygen Permeation
SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY
LA English
DT Article
ID TRANSPORT PROPERTIES; PHYSICAL-PROPERTIES; CERAMIC MEMBRANES; CO2
CAPTURE; SEPARATION; CONDUCTOR; CATHODES; CERIA; FLUX; AIR
AB Dual-phase oxygen transport membranes are fast-growing research interest for application in oxyfuel combustion process. One such potential candidate is CGO-FCO (60wt% Ce0.8Gd0.2O2--40wt% FeCo2O4) identified to provide good oxygen permeation flux with substantial stability in harsh atmosphere. Dense CGO-FCO membranes of 1mm thickness were fabricated by sintering dry pellets pressed from powders synthesized by one-pot method (modified Pechini process) at 1200 degrees C for 10h. Microstructure analysis indicates presence of a third orthorhombic perovskite phase in the sintered composite. It was also identified that the spinel phase tends to form an oxygen deficient phase at the grain boundary of spinel and CGO phases. Surface exchange limitation of the membranes was overcome by La0.6Sr0.4Co0.2Fe0.8O3- (LSCF) porous layer coating over the composite. The oxygen permeation flux of the CGO-FCO screen printed with a porous layer of 10mthick LSCF is 0.11mL/cm(2) per minute at 850 degrees C with argon as sweep and air as feed gas at the rates of 50 and 250mL/min.
C1 [Ramasamy, Madhumidha; Baumann, Stefan; Schulze-Kueppers, Falk; Balaguer, Maria; Meulenberg, Wilhelm A.; Guillon, Olivier; Bram, Martin] Forschungszentrum Julich GmbH, Inst Energy & Climate Res Mat Synth & Proc IEK 1, D-52425 Julich, Germany.
[Ramasamy, Madhumidha; Baumann, Stefan; Palisaitis, Justinas; Schulze-Kueppers, Falk; Balaguer, Maria; Meulenberg, Wilhelm A.; Mayer, Jochim; Guillon, Olivier; Bram, Martin] JARA Energy, Julich Aachen Res Alliance, D-52425 Julich, Germany.
[Palisaitis, Justinas; Kim, Daejin; Mayer, Jochim] Forschungszentrum Julich GmbH, Ernst Ruska Ctr ER C Microscopy & Spect Elect, D-52425 Julich, Germany.
[Bhave, Ramesh] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
RP Ramasamy, M (reprint author), Forschungszentrum Julich GmbH, Inst Energy & Climate Res Mat Synth & Proc IEK 1, D-52425 Julich, Germany.
EM m.ramasamy@fz-juelich.de
RI Balaguer , Maria/F-8558-2016; Schulze-Kuppers, Falk/Q-6286-2016;
Baumann, Stefan/A-8791-2017
OI Balaguer , Maria/0000-0002-7098-9235; Schulze-Kuppers,
Falk/0000-0001-6985-3835; Baumann, Stefan/0000-0002-7302-7103
FU German Federal Ministry of Education and Research (BMBF); European
Commission [608524]
FX This work is supported by the German Federal Ministry of Education and
Research (BMBF) and the European Commission via the FP7 project GREEN-CC
(Grant Agreement no. 608524). The authors thank Dr. D. Sebold and Dr. J.
Sohn for SEM and XRD analyses, respectively and Mr. S. Heinz for his
technical assistance in sample preparation (all Forschungszentrum
Juelich GmbH, IEK-1).
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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 2016
VL 99
IS 1
BP 349
EP 355
DI 10.1111/jace.13938
PG 7
WC Materials Science, Ceramics
SC Materials Science
GA DA8SQ
UT WOS:000368076800050
ER
PT J
AU Finnell, J
AF Finnell, Joshua
TI Black Deutschland
SO LIBRARY JOURNAL
LA English
DT Book Review
C1 [Finnell, Joshua] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Finnell, J (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
NR 1
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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 2016
VL 141
IS 1
BP 98
EP 98
PG 1
WC Information Science & Library Science
SC Information Science & Library Science
GA DA5SN
UT WOS:000367862900133
ER
PT J
AU Chiu, I
Mohr, J
McDonald, M
Bocquet, S
Ashby, MLN
Bayliss, M
Benson, BA
Bleem, LE
Brodwin, M
Desai, S
Dietrich, JP
Forman, WR
Gangkofner, C
Gonzalez, AH
Hennig, C
Liu, J
Reichardt, CL
Saro, A
Stalder, B
Stanford, SA
Song, J
Schrabback, T
Suhada, R
Strazzullo, V
Zenteno, A
AF Chiu, I.
Mohr, J.
McDonald, M.
Bocquet, S.
Ashby, M. L. N.
Bayliss, M.
Benson, B. A.
Bleem, L. E.
Brodwin, M.
Desai, S.
Dietrich, J. P.
Forman, W. R.
Gangkofner, C.
Gonzalez, A. H.
Hennig, C.
Liu, J.
Reichardt, C. L.
Saro, A.
Stalder, B.
Stanford, S. A.
Song, J.
Schrabback, T.
Suhada, R.
Strazzullo, V.
Zenteno, A.
TI Baryon content of massive galaxy clusters at 0.57 < z < 1.33
SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
LA English
DT Article
DE Galaxy: evolution; galaxies: clusters: general; large-scale structure of
Universe; X-rays: galaxies: clusters
ID SOUTH-POLE TELESCOPE; ATACAMA COSMOLOGY TELESCOPE; SPT-SZ SURVEY;
ZELDOVICH EFFECT SURVEY; DIGITAL SKY SURVEY; 720 SQUARE DEGREES; ACT-CL
J0102-4915; K-BAND PROPERTIES; SIMILAR-TO 1; LUMINOSITY FUNCTION
AB We study the stellar, brightest cluster galaxy (BCG) and intracluster medium (ICM) masses of 14 South Pole Telescope (SPT) selected galaxy clusters with median redshift z = 0.9 and mass M-500 = 6 x 10(14) M-circle dot. We estimate stellar masses for each cluster and BCG using six photometric bands, the ICM mass using X-ray observations and the virial masses using the SPT Sunyaev-Zel'dovich effect signature. At z = 0.9, the BCG mass M-*(BCG) constitutes 0.12 +/- 0.01 per cent of the halo mass for a 6 x 10(14) M-circle dot cluster, and this fraction falls as M-500(-0.58 +/- 0.07). The cluster stellar mass function has a characteristic mass M-0 = 10(11.0 +/- 0.1) M-circle dot, and the number of galaxies per unit mass in clusters is larger than in the field by a factor of 1.65 +/- 0.20. We combine our SPT sample with previously published samples at low redshift and correct to a common initial mass function and for systematic virial mass differences. We then explore mass and redshift trends in the stellar fraction f(*), the ICM fraction f(ICM), the collapsed baryon fraction f(c) and the baryon fraction f(b). At a pivot mass of 6 x 10(14) M-circle dot and redshift z = 0.9, the characteristic values are f(*) = 1.1 +/- 0.1 per cent, f(ICM) = 9.6 +/- 0.5 per cent, f(c) = 10.7 +/- 1.1 per cent and f(b) = 10.7 +/- 0.6 per cent. These fractions all vary with cluster mass at high significance, with higher mass clusters having lower f(*) and f(c) and higher f(ICM) and f(b). When accounting for a 15 per cent systematic virial mass uncertainty, there is no statistically significant redshift trend at fixed mass. Our results support the scenario where clusters grow through accretion from subclusters (higher f(*), lower f(ICM)) and the field (lower f(*), higher f(ICM)), balancing to keep f(*) and f(ICM) approximately constant since z similar to 0.9.
C1 [Chiu, I.; Mohr, J.; Bocquet, S.; Desai, S.; Dietrich, J. P.; Gangkofner, C.; Hennig, C.; Liu, J.; Saro, A.; Suhada, R.; Strazzullo, V.; Zenteno, A.] Univ Munich, Dept Phys, D-81679 Munich, Germany.
[Chiu, I.; Mohr, J.; Bocquet, S.; Desai, S.; Dietrich, J. P.; Gangkofner, C.; Hennig, C.; Liu, J.; Saro, A.] Excellence Cluster Universe, D-85748 Garching, Germany.
[Mohr, J.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany.
[McDonald, M.] MIT, Kavli Inst Astrophys & Space Res, Cambridge, MA 02139 USA.
[Ashby, M. L. N.; Bayliss, M.; Forman, W. R.; Stalder, B.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA.
[Bayliss, M.] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA.
[Benson, B. A.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
[Benson, B. A.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA.
[Benson, B. A.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA.
[Bleem, L. E.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA.
[Bleem, L. E.] Argonne Natl Lab, Argonne, IL 60439 USA.
[Brodwin, M.] Univ Missouri, Dept Phys & Astron, Kansas City, MO 64110 USA.
[Gonzalez, A. H.] Univ Florida, Dept Astron, Gainesville, FL 32611 USA.
[Reichardt, C. L.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia.
[Stalder, B.] Univ Hawaii, Inst Astron, Honolulu, HI 96822 USA.
[Stanford, S. A.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA.
[Stanford, S. A.] Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA.
[Song, J.] Korea Astron & Space Sci Inst, Daejeon 305348, South Korea.
[Schrabback, T.] Argelander Inst Astron, D-53121 Bonn, Germany.
[Zenteno, A.] Cerro Tololo Interamer Observ, La Serena, Chile.
RP Chiu, I (reprint author), Univ Munich, Dept Phys, Scheinerstr 1, D-81679 Munich, Germany.
EM inonchiu@usm.lmu.de
OI Dietrich, Jorg/0000-0002-8134-9591; Reichardt,
Christian/0000-0003-2226-9169; Stern, Corvin/0000-0003-4406-6127;
Forman, William/0000-0002-9478-1682
FU VLT programmes [088.A-0889, 089.A-0824]; DFG Cluster of Excellence
'Origin and Structure of the Universe'; Transregio programme TR33 'The
Dark Universe'; Fermi Research Alliance, LLC [De-AC02-07CH11359]; United
States Department of Energy; NSF [AST-1009012, AST-1009649,
MRI-0723073]; German Federal Ministry of Economics and Technology (BMWi)
[50 OR 1210]; National Science Foundation [ANT-0638937]; NSF Physics
Frontier Center [PHY-0114422]; Kavli Foundation; Gordon and Betty Moore
Foundation; [C18-12246]; [C19-12447]; [60099]; [70053]; [80012]
FX We acknowledge the support by the DFG Cluster of Excellence 'Origin and
Structure of the Universe' and the Transregio programme TR33 'The Dark
Universe'. The calculations have been carried out on the computing
facilities of the Computational Center for Particle and Astrophysics
(C2PAP) and of the Leibniz Supercomputer Center (LRZ). BB is supported
by the Fermi Research Alliance, LLC under Contract No. De-AC02-07CH11359
with the United States Department of Energy. BS acknowledges the support
of the NSF grants at Harvard and SAO (AST-1009012, AST-1009649 and
MRI-0723073). TS acknowledges the support from the German Federal
Ministry of Economics and Technology (BMWi) provided through DLR under
project 50 OR 1210. The South Pole Telescope is supported by the
National Science Foundation through grant ANT-0638937. Partial support
is also provided by the NSF Physics Frontier Center grant PHY-0114422 to
the Kavli Institute of Cosmological Physics at the University of
Chicago, the Kavli Foundation and the Gordon and Betty Moore
Foundation.; Optical imaging data from the VLT programmes 088.A-0889 and
089.A-0824, HST imaging data from programmes C18-12246 and C19-12447,
and Spitzer Space Telescope imaging from programmes 60099, 70053 and
80012 enable the SED fitting in this analysis. X-ray data obtained with
Chandra X-ray Observatory programmes and XMM-Newton Observatory
programme 067501 enable the ICM mass measurements. The SPT survey
programme SPT-SZ enabled the discovery of these high-redshift clusters
and subsequent analyses have enabled virial mass estimates of these
systems. Optical spectroscopic data from VLT programmes 086.A-0741 and
286.A-5021 and Gemini programme GS-2009B-Q-16, GS-2011A-C-3 and
GS-2011B-C-6 were included in this work. Additional spectroscopic data
were obtained with the 6.5 m Magellan Telescopes.
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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 1
PY 2016
VL 455
IS 1
BP 258
EP 275
DI 10.1093/mnras/stv2303
PG 18
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA DA7TB
UT WOS:000368005900043
ER
PT J
AU Scrimgeour, MI
Davis, TM
Blake, C
Staveley-Smith, L
Magoulas, C
Springob, CM
Beutler, F
Colless, M
Johnson, A
Jones, DH
Koda, J
Lucey, JR
Ma, YZ
Mould, J
Poole, GB
AF Scrimgeour, Morag I.
Davis, Tamara M.
Blake, Chris
Staveley-Smith, Lister
Magoulas, Christina
Springob, Christopher M.
Beutler, Florian
Colless, Matthew
Johnson, Andrew
Jones, D. Heath
Koda, Jun
Lucey, John R.
Ma, Yin-Zhe
Mould, Jeremy
Poole, Gregory B.
TI The 6dF Galaxy Survey: bulk flows on 50-70 h(-1) Mpc scales
SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
LA English
DT Article
DE surveys; galaxies: kinematics and dynamics; galaxies: statistics;
cosmology: observations; large-scale structure of Universe
ID PECULIAR VELOCITY-FIELD; SKY REDSHIFT SURVEY; LOCAL GROUP; DIPOLE
ANISOTROPY; POWER SPECTRUM; IA SUPERNOVAE; COSMIC FLOWS; LAMBDA-CDM;
COSMOLOGICAL PARAMETERS; FUNDAMENTAL PLANE
AB We measure the bulk flow of the local Universe using the 6dF Galaxy Survey peculiar velocity sample (6dFGSv), the largest and most homogeneous peculiar velocity sample to date. 6dFGSv is a Fundamental Plane sample of similar to 10(4) peculiar velocities covering the whole Southern hemisphere for galactic latitude vertical bar b vertical bar > 10 degrees, out to redshift z = 0.0537. We apply the 'minimum variance' bulk flow weighting method, which allows us to make a robust measurement of the bulk flow on scales of 50 and 70 h(-1) Mpc. We investigate and correct for potential bias due to the lognormal velocity uncertainties, and verify our method by constructing A cold dark matter (ACDM) 6dFGSv mock catalogues incorporating the survey selection function. For a hemisphere of radius 50 h(-1) Mpc we find a bulk flow amplitude of U = 248 +/- 58 km s(-1) in the direction (l, b) = (318 degrees +/- 20 degrees, 40 degrees +/- 13 degrees), and for 70 h(-1) Mpc we find U = 243 +/- 58 km s(-1), in the same direction. Our measurement gives us a constraint on sigma(8) of 1.01(-0.58)(+1.07). Our results are in agreement with other recent measurements of the direction of the bulk flow, and our measured amplitude is consistent with a ACDM prediction.
C1 [Scrimgeour, Morag I.] Univ Waterloo, Dept Phys & Astron, Waterloo, ON N2L 3G1, Canada.
[Scrimgeour, Morag I.] Perimeter Inst Theoret Phys, Waterloo, ON N2L 2Y5, Canada.
[Scrimgeour, Morag I.; Staveley-Smith, Lister; Springob, Christopher M.] Univ Western Australia, Int Ctr Radio Astron Res, Crawley, WA 6009, Australia.
[Scrimgeour, Morag I.; Staveley-Smith, Lister; Springob, Christopher M.; Koda, Jun; Mould, Jeremy] ARC Ctr Excellence All Sky Astrophys CAASTRO, Sydney, NSW, Australia.
[Davis, Tamara M.] Univ Queensland, Sch Math & Phys, Brisbane, Qld 4072, Australia.
[Blake, Chris; Johnson, Andrew; Koda, Jun; Mould, Jeremy] Swinburne Univ Technol, Ctr Astrophys & Supercomp, Hawthorn, Vic 3122, Australia.
[Magoulas, Christina] Univ Cape Town, Dept Astron, ZA-7701 Rondebosch, South Africa.
[Magoulas, Christina; Poole, Gregory B.] Univ Melbourne, Sch Phys, Parkville, Vic 3010, Australia.
[Magoulas, Christina] Australian Astron Observ, N Ryde, NSW 1670, Australia.
[Beutler, Florian] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Colless, Matthew] Australian Natl Univ, Res Sch Astron & Astrophys, Canberra, ACT 2611, Australia.
[Jones, D. Heath] Macquarie Univ, Dept Phys & Astron, Sydney, NSW 2109, Australia.
[Jones, D. Heath] Monash Univ, Sch Phys, Clayton, Vic 3800, Australia.
[Lucey, John R.] Univ Durham, Dept Phys, Durham DH1 3LE, England.
[Lucey, John R.] Univ KwaZulu Natal, Sch Chem & Phys, Astrophys & Cosmol Res Unit, Durban, South Africa.
RP Scrimgeour, MI (reprint author), Univ Waterloo, Dept Phys & Astron, Waterloo, ON N2L 3G1, Canada.
EM morag.astro@gmail.com
RI Davis, Tamara/A-4280-2008;
OI Davis, Tamara/0000-0002-4213-8783; Beutler, Florian/0000-0003-0467-5438;
Colless, Matthew/0000-0001-9552-8075
FU Jean Rogerson Scholarship; UWA Top-up Scholarship from University of
Western Australia; CSIRO Malcolm McIntosh Lecture bankmecu scholarship;
Astronomical Society of Australia; Australian Research Council
[FT110100639, FT100100595]; [CE110001020]
FX MIS acknowledges financial support from a Jean Rogerson Scholarship, a
UWA Top-up Scholarship from the University of Western Australia, and a
CSIRO Malcolm McIntosh Lecture bankmecu scholarship. MIS thanks the
Astronomical Society of Australia for providing financial support via a
Student Travel Award, which enabled furthered collaboration on this
paper, and also Lawrence Berkeley National Laboratory for hosting her
during part of this work. CB and TMD acknowledge the support of the
Australian Research Council through the award of Future Fellowships,
grants FT110100639 and FT100100595, respectively. The Centre for All-sky
Astrophysics is an Australian Research Council Centre of Excellence,
funded by grant CE110001020.
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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 1
PY 2016
VL 455
IS 1
BP 386
EP 401
DI 10.1093/mnras/stv2146
PG 16
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA DA7TB
UT WOS:000368005900053
ER
PT J
AU Ukwatta, TN
Wozniak, PR
AF Ukwatta, T. N.
Wozniak, P. R.
TI Investigation of redshift- and duration-dependent clustering of
gamma-ray bursts
SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
LA English
DT Article
DE gamma-ray burst: general
ID SKY DISTRIBUTION; BATSE; ANISOTROPY; CATALOG; GRB
AB Gamma-ray bursts (GRBs) are detectable out to very large distances and as such are potentially powerful cosmological probes. Historically, the angular distribution of GRBs provided important information about their origin and physical properties. As a general population, GRBs are distributed isotropically across the sky. However, there are published reports that once binned by duration or redshift, GRBs display significant clustering. We have studied the redshift- and duration-dependent clustering of GRBs using proximity measures and kernel density estimation. Utilizing bursts detected by Burst and Transient Source Experiment, Fermi/gamma-ray burst monitor, and Swift/Burst Alert Telescope, we found marginal evidence for clustering in very short duration GRBs lasting less than 100 ms. Our analysis provides little evidence for significant redshift-dependent clustering of GRBs.
C1 [Ukwatta, T. N.; Wozniak, P. R.] Los Alamos Natl Lab, Space & Remote Sensing ISR 2, Los Alamos, NM 87544 USA.
RP Ukwatta, TN (reprint author), Los Alamos Natl Lab, Space & Remote Sensing ISR 2, Los Alamos, NM 87544 USA.
EM tilan.ukwatta@gmail.com; wozniak@lanl.gov
OI Wozniak, Przemyslaw/0000-0002-9919-3310
FU US Department of Energy; Laboratory Directed Research and Development
programme at the Los Alamos National Laboratory
FX This work was funded by the US Department of Energy. TNU acknowledges
support from the Laboratory Directed Research and Development programme
at the Los Alamos National Laboratory. We thank Brenda Dingus, Pat
Harding, Krista Smith and Kevin Hurley for useful conversations on the
analysis. We also thank the referee Jean-Luc Atteia for comments that
significantly improved the paper.
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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 1
PY 2016
VL 455
IS 1
BP 703
EP 711
DI 10.1093/mnras/stv2350
PG 9
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA DA7TB
UT WOS:000368005900081
ER
PT J
AU Larson, DJ
Prosa, TJ
Perea, DE
Inoue, K
Mangelinck, D
AF Larson, D. J.
Prosa, T. J.
Perea, D. E.
Inoue, K.
Mangelinck, D.
TI Atom probe tomography of nanoscale electronic materials
SO MRS BULLETIN
LA English
DT Article
ID DIFFUSION; NANOPARTICLES; NANOWIRES; FINFET
AB As the characteristic length scale of electronic devices shrinks, so does the required scale for measurement techniques to provide useful feedback during development and fabrication. The current capabilities of atom probe tomography (APT), such as detecting a low number of dopant atoms in nanoscale devices or studying diffusion effects in a nanowire (NW), make this technique important for metrology on the nanoscale. Here we review recent APT investigations applied to transistors (including regions such as gate oxide, channel, source, drain, contacts, etc.), heterogeneous dopant incorporation in NWs, and Pt-based nanoparticles.
C1 [Larson, D. J.; Prosa, T. J.] CAMECA Instruments Inc, Dusseldorf, Germany.
[Perea, D. E.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
[Inoue, K.] Tohoku Univ, Inst Mat Res, Sendai, Miyagi 980, Japan.
[Mangelinck, D.] Aix Marseille Univ, Natl Ctr Sci Res, Inst Mat Microelect Nanosci Provence, Marseille, France.
RP Larson, DJ (reprint author), CAMECA Instruments Inc, Dusseldorf, Germany.
EM david.larson@ametek.com; ty.prosa@ametek.com; daniel.perea@pnnl.gov;
kinoue@imr.tohoku.ac.jp; dominique.mangelinck@im2np.fr
RI Inoue, Koji/H-1814-2011
FU EMSL, a DOE Office of Science User Facility - Office of Biological and
Environmental Research
FX D. Mangelinck acknowledges F. Panciera and K. Hoummada from IM2NP and M.
Gregoire from STMicroelectronics. D.E. Perea acknowledges support from
EMSL, a DOE Office of Science User Facility sponsored by the Office of
Biological and Environmental Research and located at Pacific Northwest
National Laboratory. D.J. Larson and T.J. Prosa would like to thank A.
D. Giddings (TSMC) and their colleagues (K.P. Rice, D. Olson, D. A.
Reinhard, D. Lawrence, and T.F. Kelly) at CAMECA for their assistance
with the nanoparticle portion of this work. K. Inoue acknowledges Y.
Shimizu and Y. Nagai from Tohoku University and H. Takamizawa from JAEA.
Thanks to W. Vandervorst (IMEC) for discussions regarding the IMEC logic
roadmap.
NR 41
TC 2
Z9 2
U1 4
U2 17
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 0883-7694
EI 1938-1425
J9 MRS BULL
JI MRS Bull.
PD JAN
PY 2016
VL 41
IS 1
BP 30
EP 34
DI 10.1557/mrs.2015.308
PG 5
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA DA8SB
UT WOS:000368075300009
ER
PT J
AU Puzyrev, YS
Shen, X
Pantelides, ST
AF Puzyrev, Y. S.
Shen, X.
Pantelides, S. T.
TI Prediction of Giant Thermoelectric Efficiency in Crystals with
Interlaced Nanostructure
SO NANO LETTERS
LA English
DT Article
DE Thermoelectric; nanoparticles; density functional theory; ternary;
phonon scattering
ID FIGURE-OF-MERIT; GRAIN-BOUNDARIES; BULK ALLOYS; SIMULATIONS;
PERFORMANCE; RESISTANCE; CUINS2
AB We present a theoretical study of the thermoelectric efficiency of "interlaced crystals", recently discovered in hexagonal-CuInS2 nanoparticles. Interlaced crystals are I-III-VI2 or II-IV-V-2 tetrahedrally bonded compounds. They have a perfect Bravais lattice in which the two cations have an infinite set of possible ordering patterns within the cation sublattice. The material comprises nanoscale interlaced domains and phases with corresponding boundaries. Here we employ density functional theory and large-scale molecular dynamics calculations based on model classical potentials to demonstrate that the phase and domain boundaries are effective phonon scatterers and greatly suppress thermal conductivity. However, the absence of both structural defects and strain in the interlaced material results in a minimal effect on electronic properties. We predict an increase of thermal resistivity of up to 2 orders of magnitude, which makes interlaced crystals an exceptional candidate for thermoelectric applications.
C1 [Puzyrev, Y. S.; Shen, X.; Pantelides, S. T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA.
[Pantelides, S. T.] Vanderbilt Univ, Dept Elect Engn & Comp Sci, Nashville, TN 37235 USA.
[Pantelides, S. T.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Puzyrev, YS (reprint author), Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA.
EM yevgeniy.s.puzyrev@vanderbilt.edu
FU Department of Energy [DE-FG02-09ER46554]; McMinn Endowment at Vanderbilt
University; DOE Office of Science [DE-AC02-05CH11231]
FX This work was supported by Department of Energy grant DE-FG02-09ER46554
and by the McMinn Endowment at Vanderbilt University. The computations
were performed at the National Energy Research Scientific Computing
Center, supported by the DOE Office of Science under Contract No.
DE-AC02-05CH11231.
NR 25
TC 0
Z9 0
U1 3
U2 37
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 2016
VL 16
IS 1
BP 121
EP 125
DI 10.1021/acs.nanolett.5b03220
PG 5
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 DB2FC
UT WOS:000368322700019
PM 26691292
ER
PT J
AU Yang, HX
Vu, AD
Hallal, A
Rougemaille, N
Coraux, J
Chen, G
Schmid, AK
Chshiev, M
AF Yang, Hongxin
Anh Duc Vu
Hallal, Ali
Rougemaille, Nicolas
Coraux, Johann
Chen, Gong
Schmid, Andreas K.
Chshiev, Mairbek
TI Anatomy and Giant Enhancement of the Perpendicular Magnetic Anisotropy
of Cobalt-Graphene Heterostructures
SO NANO LETTERS
LA English
DT Article
DE Magnetocrystalline anisotropy; graphene; spintronics;
graphene/transition metal interfaces
ID AUGMENTED-WAVE METHOD; TUNNEL-JUNCTIONS; EPITAXIAL GRAPHENE; SPIN
TRANSPORT; INTERCALATION; SPINTRONICS; MULTILAYER; DEPOSITION; METALS
AB We report strongly enhanced perpendicular magnetic anisotropy (PMA) of Co films by graphene coating from both first-principles and experiments. Our calculations show that graphene can dramatically boost the surface anisotropy of Co films up to twice the value of its pristine counterpart and can extend the out-of-plane effective anisotropy up to unprecedented thickness of 25 angstrom. These findings are supported by our experiments on graphene coating on Co films grown on Ir substrate. Furthermore, we report layer-resolved and orbital-hybridization-resolved anisotropy analysis, which help understanding of the physical mechanisms of PMA and more practically can help design structures with giant PMA. As an example, we propose superexchange stabilized Co-graphene heterostructures with a robust constant effective PMA. and linearly increasing interfacial anisotropy as a function of film thickness. These findings point toward possibilities to engineer graphene/ferromagnetic metal heterostructures with giant magnetic anisotropy more than 20-times larger compared to conventional multilayers, which constitutes a hallmark for future graphene and traditional spintronic technologies.
C1 [Yang, Hongxin; Chshiev, Mairbek] Univ Grenoble Alpes, INAC SPINTEC, F-38000 Grenoble, France.
[Yang, Hongxin; Hallal, Ali; Chshiev, Mairbek] CNRS, SPINTEC, F-38000 Grenoble, France.
[Yang, Hongxin; Hallal, Ali; Chshiev, Mairbek] CEA, INAC SPINTEC, F-38000 Grenoble, France.
[Anh Duc Vu; Rougemaille, Nicolas; Coraux, Johann] Univ Grenoble Alples, Inst NEEL, F-38000 Grenoble, France.
[Anh Duc Vu; Rougemaille, Nicolas; Coraux, Johann] CNRS, Inst NEEL, F-38000 Grenoble, France.
[Chen, Gong; Schmid, Andreas K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, NCEM, Berkeley, CA 94720 USA.
RP Chshiev, M (reprint author), Univ Grenoble Alpes, INAC SPINTEC, F-38000 Grenoble, France.
EM mair.chshiev@cea.fr
RI Chshiev, Mairbek/A-9742-2008; Coraux, Johann/A-7897-2008; Chen,
Gong/H-3074-2015
OI Chshiev, Mairbek/0000-0001-9232-7622;
FU European Union [604391 GRAPHENE FLAGSHIP, ANR-2010-BLAN-1019-NMGEM,
ANR-12-BS-1000-401-NANOCELLS]; Office of Science, Office of Basic Energy
Sciences, Scientific User Facilities Division, of the U.S. Department of
Energy [DE-AC02-05CH11231]
FX The authors would like to thank B. Dieny, S. Roche, F. Ibrahim, and A.
Fert for fruitful discussions. The research leading to these results has
received funding from the European Union Seventh Framework Programme
under Grant Agreement Nos. 604391 GRAPHENE FLAGSHIP, the
ANR-2010-BLAN-1019-NMGEM, and ANR-12-BS-1000-401-NANOCELLS projects.
Experiments were performed at the Molecular Foundry, Lawrence Berkeley
National Laboratory, 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 56
TC 6
Z9 6
U1 21
U2 72
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 2016
VL 16
IS 1
BP 145
EP 151
DI 10.1021/acs.nanolett.5b03392
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 DB2FC
UT WOS:000368322700023
PM 26641927
ER
PT J
AU Lee, S
Tang, A
Aloni, S
Wong, HSP
AF Lee, Seunghyun
Tang, Alvin
Aloni, Shaul
Wong, H. -S. Philip
TI Statistical Study on the Schottky Barrier Reduction of Tunneling
Contacts to CVD Synthesized MoS2
SO NANO LETTERS
LA English
DT Article
DE MoS2; tunneling insulator; low-resistance contact; CVD synthesis
ID TRANSITION-METAL DICHALCOGENIDES; FIELD-EFFECT TRANSISTORS; LAYERS;
ELECTRONICS; HEIGHTS; STATES
AB Creating high-quality, low-resistance contacts is essential for the development of electronic applications using two-dimensional (2D) layered materials. Many previously reported methods for lowering the contact resistance rely on volatile chemistry that either oxidize or degrade in ambient air. Nearly all reported efforts have been conducted on only a few devices with mechanically exfoliated flakes which is not amenable to large scale manufacturing. In this work, Schottky barrier heights of metal-MoS2 contacts to devices fabricated from CVD synthesized MoS2 films were reduced by inserting a thin tunneling Ta2O5 layer between MoS2 and metal contacts. Schottky barrier height reductions directly correlate with exponential reductions in contact resistance. Over two hundred devices were tested and contact resistances extracted for large scale statistical analysis. As compared to metal-MoS2 Schottky contacts without an insulator layer, the specific contact resistivity has been lowered by up to 3 orders of magnitude and current values increased by 2 orders of magnitude over large area (>4 cm(2)) films.
C1 [Lee, Seunghyun; Tang, Alvin; Wong, H. -S. Philip] Stanford Univ, Dept Elect Engn, Stanford, CA 94305 USA.
[Lee, Seunghyun; Tang, Alvin; Wong, H. -S. Philip] Stanford Univ, Stanford SystemX Alliance, Stanford, CA 94305 USA.
[Aloni, Shaul] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
RP Lee, S (reprint author), Stanford Univ, Dept Elect Engn, Stanford, CA 94305 USA.
EM seansl@stanford.edu
FU Stanford Initiative for Nanoscale Materials and Processes (INMP)
affiliate program; Function Accelerated nanoMaterial Engineering (FAME)
Center; one of six centers of Semiconductor Technology Advanced Research
Network (STARnet); Semiconductor Research Corporation (SRC) program -
Microelectronics Advanced Research Corporation (MARCO); Defense Advanced
Research Projects Agency (DARPA); Office of Science, Office of Basic
Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]
FX This work is supported in part by the member companies of Stanford
Initiative for Nanoscale Materials and Processes (INMP) affiliate
program, and Function Accelerated nanoMaterial Engineering (FAME)
Center, one of six centers of Semiconductor Technology Advanced Research
Network (STARnet), a Semiconductor Research Corporation (SRC) program
sponsored by Microelectronics Advanced Research Corporation (MARCO) and
Defense Advanced Research Projects Agency (DARPA). Work at the Molecular
Foundry was supported by the Office of Science, Office of Basic Energy
Sciences, of the U.S. Department of Energy under Contract No.
DE-AC02-05CH11231.
NR 31
TC 11
Z9 11
U1 16
U2 69
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 2016
VL 16
IS 1
BP 276
EP 281
DI 10.1021/acs.nanolett.5b03727
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 DB2FC
UT WOS:000368322700044
PM 26698919
ER
PT J
AU Pham, T
Fathalizadeh, A
Shevitski, B
Turner, S
Aloni, S
Zettl, A
AF Thang Pham
Fathalizadeh, Aidin
Shevitski, Brian
Turner, Sally
Aloni, Shaul
Zettl, Alex
TI A Universal Wet-Chemistry Route to Metal Filling of Boron Nitride
Nanotubes
SO NANO LETTERS
LA English
DT Article
DE Boron nitride nanotubes; metal filling; wet-chemistry; metal nanowires
ID FILLED CARBON NANOTUBES; BN NANOTUBES; IN-SITU; NANOWIRES; NANORODS;
TRANSPORT; OXIDATION; PARTICLES; PRESSURE; GROWTH
AB We present a facile wet-chemistry method for efficient metal filling of the hollow inner cores of boron nitride nanotubes (BNNTs). The fillers conform to the cross-section of the tube cavity and extend in length from a few nm to hundreds of nm. The methodology is robust and is demonstrated for noble metals (Au, Pt, Pd, and Ag), transition metals (Co), and post-transition elements (In). Transmission electron microscopy and related electron spectroscopy confirm the composition and morphology of the filler nanoparticles. Up to 60% of BNNTs of a given preparation batch have some degree of metal encapsulation, and individual tubes can have up to 10% of their core volume filled during initial loading. The growth, movement, and fusing of metal nanoparticles within the BNNTs are also examined.
C1 [Thang Pham; Fathalizadeh, Aidin; Shevitski, Brian; Turner, Sally; Zettl, Alex] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Thang Pham] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Turner, Sally] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Shevitski, Brian; Aloni, Shaul] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Zettl, Alex] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Thang Pham; Fathalizadeh, Aidin; Turner, Sally; Zettl, Alex] Univ Calif Berkeley, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.
[Thang Pham; Fathalizadeh, Aidin; Turner, Sally; Zettl, Alex] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Zettl, A (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
EM azettl@physics.berkeley.edu
RI Zettl, Alex/O-4925-2016
OI Zettl, Alex/0000-0001-6330-136X
FU Office of Basic Energy Sciences, Materials Sciences and Engineering
Division, of the U.S. Department of Energy [DE-AC02-05CH11231];
Molecular Foundry at the Lawrence Berkeley National Laboratory
[DE-AC02-05CH11231]
FX This research was supported in part by the Director, Office of Basic
Energy Sciences, Materials Sciences and Engineering Division, of the
U.S. Department of Energy under Contract No. DE-AC02-05CH11231, within
the sp-bonded Materials Program, which provided for the design,
construction, and execution of the experiment; and by the Molecular
Foundry at the Lawrence Berkeley National Laboratory, under Contract No.
DE-AC02-05CH11231, which provided for STEM, EDS, and EELS
characterization.
NR 57
TC 4
Z9 4
U1 13
U2 57
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 2016
VL 16
IS 1
BP 320
EP 325
DI 10.1021/acs.nanolett.5b03874
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 DB2FC
UT WOS:000368322700050
PM 26707874
ER
PT J
AU Ming, WM
Wang, ZF
Zhou, M
Yoon, M
Liu, F
AF Ming, Wenmei
Wang, Z. F.
Zhou, Miao
Yoon, Mina
Liu, Feng
TI Formation of Ideal Rashba States on Layered Semiconductor Surfaces
Steered by Strain Engineering
SO NANO LETTERS
LA English
DT Article
DE Ideal Rashba splitting; layered semiconductor substrate; heavy metal
overlayer; strain; spin field transistor
ID GAP; PHOTOEMISSION; SPECTROSCOPY
AB Spin splitting of Rashba states in two-dimensional electron system provides a promising mechanism of spin manipulation for spintronics applications. However, Rashba states realized experimentally to date are often outnumbered by spin-degenerated substrate states at the same energy range, hindering their practical applications. Here, by density functional theory calculation, we show that Au one monolayer film deposition on a layered semiconductor surface beta-InSe(0001) can possess "ideal" Rashba states with large spin splitting, which are completely situated inside the large band gap of the substrate. The position of the Rashba bands can be tuned over a wide range with respect to the substrate band edges by experimentally accessible strain. Furthermore, our nonequilibrium Green's function transport calculation shows that this system may give rise to the long-sought strong current modulation when made into a device of Datta-Das transistor. Similar systems may be identified with other metal ultrathin films and layered semiconductor substrates to realize ideal Rashba states.
C1 [Ming, Wenmei; Wang, Z. F.; Zhou, Miao; Liu, Feng] Univ Utah, Dept Mat Sci & Engn, Salt Lake City, UT 84112 USA.
[Ming, Wenmei; Yoon, Mina] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Wang, Z. F.] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Peoples R China.
[Zhou, Miao] Chongqing Univ, Coll Optoelect Engn, Educ Minist China, Key Lab Optoelect Technol & Syst, Chongqing 400044, Peoples R China.
[Liu, Feng] Collaborat Innovat Ctr Quantum Matter, Beijing 100084, Peoples R China.
RP Yoon, M (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
EM myoon@ornl.gov; fliu@eng.utah.edu
RI Yoon, Mina/A-1965-2016
OI Yoon, Mina/0000-0002-1317-3301
FU NSF MRSEC [DMR-1121252]; DOE-BES [DE-FG02-04ER46148]; Laboratory
Directed Research and Development Program; Center for Nanophase
Materials Sciences of the Scientific User Facilities Division, Office of
Basic Energy Sciences, U.S. Department of Energy; Office of Science of
the U.S. Department of Energy [DE-AC02-05CH11231]
FX The work at Utah was supported by NSF MRSEC (Grant DMR-1121252) (W.M.,
Z.F.) and DOE-BES (Grant DE-FG02-04ER46148) (M.Z. FL.); the work at Oak
Ridge National Laboratory was supported by the Laboratory Directed
Research and Development Program (W.M.) and by the Center for Nanophase
Materials Sciences (M.Y.) of the Scientific User Facilities Division,
Office of Basic Energy Sciences, U.S. Department of Energy. We thank the
CHPC at the University of Utah for providing the computing resources.
This research used resources of the National Energy Research Scientific
Computing Center, supported by the Office of Science of the U.S.
Department of Energy under Contract No. DE-AC02-05CH11231.
NR 45
TC 9
Z9 9
U1 15
U2 39
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 2016
VL 16
IS 1
BP 404
EP 409
DI 10.1021/acs.nanolett.5b04005
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 DB2FC
UT WOS:000368322700063
PM 26651374
ER
PT J
AU Liu, YP
Tom, K
Wang, X
Huang, CM
Yuan, HT
Ding, H
Ko, C
Suh, J
Pan, L
Persson, KA
Yao, J
AF Liu, Yanping
Tom, Kyle
Wang, Xi
Huang, Chunming
Yuan, Hongtao
Ding, Hong
Ko, Changhyun
Suh, Joonki
Pan, Lawrence
Persson, Kristin A.
Yao, Jie
TI Dynamic Control of Optical Response in Layered Metal Chalcogenide
Nanoplates
SO NANO LETTERS
LA English
DT Article
DE Dynamic optical tuning; 2D materials; metal chalcogenides; ionic liquid
gating
ID TOPOLOGICAL INSULATOR BI2SE3; AUGMENTED-WAVE METHOD; IONIC LIQUID;
TRANSITION; GRAPHENE; MOS2; TRANSPORT; FILMS; DICHALCOGENIDES;
TRANSISTORS
AB Tunable optical transitions in ultrathin layered 2-dimensional (2D) materials unveil the electronic structures of materials and provide exciting prospects for potential applications in optics and photonics. Here, we present our realization of dynamic optical modulation of layered metal chalcogenide nanoplates using ionic liquid (IL) gating over a wide spectral range. The IL gating significantly increased the tuning range of the Fermi level and, as a result, substantially altered the optical transitions in the nanoplates. Using heavily n-doped Bi2Se3 nanoplates, we substantially modulated the light transmission through the ultrathin layer. A tunable, high-transmission spectral window in the visible to near-infrared region has been observed due to simultaneous shifts of both the plasma edge and absorption edge of the material. On the other hand, optical response of multilayer MoSe2 flakes gated by IL has shown enhanced transmission in both positive and negative biases, which is consistent with their ambipolar electrical behavior. The electrically controlled optical property tuning in metal chalcogenide material systems provides new opportunities for potential applications, such as wide spectral range optical modulators, optical filters, and electrically controlled smart windows with extremely low material consumption.
C1 [Liu, Yanping; Tom, Kyle; Wang, Xi; Huang, Chunming; Ko, Changhyun; Suh, Joonki; Pan, Lawrence; Persson, Kristin A.; Yao, Jie] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Tom, Kyle; Yao, Jie] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Ding, Hong; Persson, Kristin A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Yuan, Hongtao] Stanford Univ, Geballe Lab Adv Mat, Stanford, CA 94305 USA.
[Yuan, Hongtao] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA.
RP Yao, J (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
EM yaojie@berkeley.edu
RI Yuan, Hongtao/C-9807-2012; Ko, Changhyun/E-1686-2011
FU Samsung Advanced Institute of Technology [037361-003]; Hellman Family
Foundation; Department of Energy's Basic Energy Sciences program-the
Materials Project [EDCBEE]; Office of Science of the U.S. Department of
Energy [DEAC02-05CH11231]
FX Y.L would like to thank Yu Ye for his useful discussions and also Jun
Xiao, Sui Yang, Xingchen Quanwei Li, Hanyu Zhu, Qinglin Xia, and
Zhigiang Niu for their experimental assistance. This work is supported
by the Samsung Advanced Institute of Technology under the grant
037361-003, and the Hellman Family Foundation. Computational work was
supported by the Department of Energy's Basic Energy Sciences
program-the Materials Project-under Grant No. EDCBEE, and the Office of
Science of the U.S. Department of Energy under Contract No.
DEAC02-05CH11231.
NR 54
TC 3
Z9 3
U1 10
U2 58
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 2016
VL 16
IS 1
BP 488
EP 496
DI 10.1021/acs.nanolett.5b04140
PG 9
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 DB2FC
UT WOS:000368322700075
PM 26599063
ER
PT J
AU Paskiewicz, DM
Sichel-Tissot, R
Karapetrova, E
Stan, L
Fong, DD
AF Paskiewicz, Deborah M.
Sichel-Tissot, Rebecca
Karapetrova, Evguenia
Stan, Liliana
Fong, Dillon D.
TI Single-Crystalline SrRuO3 Nanomembranes: A Platform for Flexible Oxide
Electronics
SO NANO LETTERS
LA English
DT Article
DE Nanomembrane; epitaxy; complex oxides; ferroelectric; single-crystals
ID THIN-FILMS; PEROVSKITE OXIDES; THERMAL-EXPANSION; OXYGEN EVOLUTION;
TRANSITION; PHYSICS; SILICON; HETEROSTRUCTURES; FUNCTIONALITIES;
PRINCIPLES
AB The field of oxide electronics has benefited from the wide spectrum of functionalities available to the ABO(3) perovskites, and researchers are now employing defect engineering in single crystalline heterostructures to tailor properties. However, bulk oxide single crystals are not conducive to many types of applications, particularly those requiring mechanical flexibility. Here, we demonstrate the realization of an all-oxide, single-crystalline nanomembrane heterostructure. With a surface-to-volume ratio of 2 x 10(7), the nanomembranes are fully flexible and can be readily transferred to other materials for handling purposes or for new materials integration schemes. Using in situ synchrotron X-ray scattering, we find that the nanomembranes can bond to other host substrates near room temperature and demonstrate coupling between surface reactivity and electromechanical properties in ferroelectric nanomembrane systems. The synthesis technique described here represents a significant advancement in materials integration and provides a new platform for the development of flexible oxide electronics.
C1 [Paskiewicz, Deborah M.; Sichel-Tissot, Rebecca; Fong, Dillon D.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Karapetrova, Evguenia] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Stan, Liliana] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
RP Fong, DD (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM fong@anl.gov
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Materials Sciences and Engineering Division; U.S. Department
of Energy, Office of Science, Office of Basic Energy Sciences
[DE-AC02-06CH11357]; Argonne National Laboratory Director's Postdoctoral
Fellowship Program
FX We thank C. Schleputz, M. Highland, and J. Eastman for helpful
discussions. This work was supported by U.S. Department of Energy,
Office of Science, Office of Basic Energy Sciences, Materials Sciences
and Engineering Division. Use of the Advanced Photon Source and 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. D.M.P.
acknowledges support from the Argonne National Laboratory Director's
Postdoctoral Fellowship Program.
NR 59
TC 2
Z9 2
U1 17
U2 65
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 2016
VL 16
IS 1
BP 534
EP 542
DI 10.1021/acs.nanolett.5b04176
PG 9
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 DB2FC
UT WOS:000368322700081
PM 26652204
ER
PT J
AU Gerber, LCH
Frischmann, PD
Fan, FY
Doris, SE
Qu, X
Scheuermann, AM
Persson, K
Chiang, YM
Helms, BA
AF Gerber, Laura C. H.
Frischmann, Peter D.
Fan, Frank Y.
Doris, Sean E.
Qu, Xiaohui
Scheuermann, Angelique M.
Persson, Kristin
Chiang, Yet-Ming
Helms, Brett A.
TI Three-Dimensional Growth of Li2S in Lithium-Sulfur Batteries Promoted by
a Redox Mediator
SO NANO LETTERS
LA English
DT Article
DE Lithium-sulfur battery; redox mediator; electrodeposition; polysulfide;
morphology; lithium sulfide
ID RECHARGEABLE LI-O-2 BATTERIES; RAY-ABSORPTION SPECTROSCOPY; OXYGEN
BATTERIES; AIR BATTERY; ENERGY-STORAGE; ORGANIC ELECTROLYTE; LIQUID
ELECTROLYTE; CATHODE MATERIALS; CHARGE-TRANSPORT; LI/AIR BATTERIES
AB During the discharge of a lithium-sulfur (Li-S) battery, an electronically insulating 2D layer of Li2S is electrodeposited onto the current collector. Once the current collector is enveloped, the overpotential of the cell increases, and its discharge is arrested, often before reaching the full capacity of the active material. Guided by a new computational platform known as the Electrolyte Genome, we advance and apply benzo[ghi]peryleneimide (BPI) as a redox mediator for the reduction of dissolved polysulfides to Li2S. With BPI present, we show that it is now possible to electrodeposit Li2S as porous, 3D deposits onto carbon current collectors during cell discharge. As a result, sulfur utilization improved 220% due to a 6-fold increase in Li2S formation. To understand the growth mechanism, electrodeposition of Li2S was carried out under both galvanostatic and potentiostatic control. The observed kinetics under potentiostatic control were modeled using modified Avrami phase transformation kinetics, which showed that BPI slows the impingement of insulating Li2S islands on carbon. Conceptually, the pairing of conductive carbons with BPI can be viewed as a vascular approach to the design of current collectors for energy storage devices: here, conductive carbon "arteries" dominate long-range electron transport, while BPI "capillaries" mediate short-range transport and electron transfer between the storage materials and the carbon electrode.
C1 [Gerber, Laura C. H.; Frischmann, Peter D.; Doris, Sean E.; Scheuermann, Angelique M.; Helms, Brett A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Qu, Xiaohui; Persson, Kristin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
[Fan, Frank Y.; Chiang, Yet-Ming] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA.
[Doris, Sean E.; Scheuermann, Angelique M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Persson, Kristin] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
RP Helms, BA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, One Cyclotron Rd, Berkeley, CA 94720 USA.
EM BAHelms@lbl.gov
FU Joint Center for Energy Storage Research, an Energy Innovation Hub -
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences; 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. Department of Energy [DE-AC02-05CH11231]; Department of Defense
through the National Defense Science AMP; Engineering Graduate
Fellowship Program
FX This work was supported by the Joint Center for Energy Storage Research,
an Energy Innovation Hub funded by the U.S. Department of Energy, Office
of Science, Office of Basic Energy Sciences. Portions of the
work-including BPI synthesis, characterization, and experimental
validation as a redox mediator in Li-S cells-were carried out as a user
project at the Molecular Foundry, 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. 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.
S.E.D. was supported by the Department of Defense through the National
Defense Science & Engineering Graduate Fellowship Program.
NR 69
TC 12
Z9 12
U1 39
U2 224
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 2016
VL 16
IS 1
BP 549
EP 554
DI 10.1021/acs.nanolett.5b04189
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 DB2FC
UT WOS:000368322700083
PM 26691496
ER
PT J
AU Guo, H
Song, XH
Zhuo, ZQ
Hu, JT
Liu, TC
Duan, YD
Zheng, JX
Chen, ZH
Yang, WL
Amine, K
Pan, F
AF Guo, Hua
Song, Xiaohe
Zhuo, Zengqing
Hu, Jiangtao
Liu, Tongchao
Duan, Yandong
Zheng, Jiaxin
Chen, Zonghai
Yang, Wanli
Amine, Khalil
Pan, Feng
TI Storage and Effective Migration of Li-Ion for Defected beta-LiFePO4
Phase Nanocrystals
SO NANO LETTERS
LA English
DT Article
DE beta-LiFePO4; disorder; activation; density functional theory; lithium
migration passages
ID RECHARGEABLE LITHIUM BATTERIES; CATHODE MATERIALS; LIFEPO4; TRANSITION;
PRESSURE; DIFFUSION; FEPO4; CRYSTALLIZATION; TRANSFORMATION; PERFORMANCE
AB Lithium iron phosphate, a widely used cathode material, crystallizes typically in olivine-type phase, alpha-LiFePO4 (alpha LFP). However, the new phase beta-LiFePO4 (beta LFP), which can be transformed from aLFP under high temperature and pressure, is originally almost electrochemically inactive with no capacity for Li-ion battery, because the Li-ions are stored in the tetrahedral [LiO4] with very high activation barrier for migration and the one-dimensional (1D) migration channels for Li-ion diffusion in alpha LFP disappear, while the Fe ions in the beta-phase are oriented similar to the 1D arrangement instead. In this work, using experimental studies combined with density functional theory calculations, we demonstrate that beta LFP can be activated with creation of effective paths of Li-ion migration by optimized disordering. Thus, the new phase of beta LFP cathode achieved a capacity of 128 mAh g(-1) at a rate of 0.1 C (1C = 170 mA g(-1)) with extraordinary cycling performance that 94.5% of the initial capacity retains after 1000 cycles at 1 C. The activation mechanism can be attributed to that the induced disorder (such as FeLiLiFe antisite defects, crystal distortion, and amorphous domains) creates new lithium migration passages, which free the captive stored lithium atoms and facilitate their intercalation/deintercalation from the cathode. Such materials activated by disorder are promising candidate cathodes for lithium batteries, and the related mechanism of storage and effective migration of Li-ions also provides new clues for future design of disordered-electrode materials with high capacity and high energy density.
C1 [Guo, Hua; Song, Xiaohe; Zhuo, Zengqing; Hu, Jiangtao; Liu, Tongchao; Duan, Yandong; Zheng, Jiaxin; Amine, Khalil; Pan, Feng] Peking Univ, Shenzhen Grad Sch, Sch Adv Mat, Shenzhen 518055, Peoples R China.
[Chen, Zonghai; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Electrochem Technol Program, Argonne, IL 60439 USA.
[Zhuo, Zengqing; Yang, Wanli] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Zheng, JX (reprint author), Peking Univ, Shenzhen Grad Sch, Sch Adv Mat, Shenzhen 518055, Peoples R China.
EM zhengjx@pkusz.edu.cn; panfeng@pkusz.edu.cn
RI Yang, Wanli/D-7183-2011; Duan, Yandong/I-4206-2013
OI Yang, Wanli/0000-0003-0666-8063;
FU Guangdong Innovation Team Project [2013N080]; ShenZhen Peacock Plan
[KYPT20141016105435850]; Shenzhen Science and Technology Research Grant
[ZDSY20130331145131323, JCYJ20140903101633318, JCYJ20140903101617271];
ShenZhen National Super Computing Center
FX The research was financially supported by Guangdong Innovation Team
Project (No. 2013N080), ShenZhen Peacock Plan (Grant
KYPT20141016105435850), and Shenzhen Science and Technology Research
Grant (Nos. ZDSY20130331145131323, JCYJ20140903101633318, and
JCYJ20140903101617271). Additionally, we acknowledge the support of
ShenZhen National Super Computing Center.
NR 41
TC 9
Z9 9
U1 31
U2 111
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 2016
VL 16
IS 1
BP 601
EP 608
DI 10.1021/acs.nanolett.5b04302
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 DB2FC
UT WOS:000368322700092
PM 26632008
ER
PT J
AU Liu, Q
Gao, MR
Liu, YZ
Okasinski, JS
Ren, Y
Sun, YG
AF Liu, Qi
Gao, Min-Rui
Liu, Yuzi
Okasinski, John S.
Ren, Yang
Sun, Yugang
TI Quantifying the Nucleation and Growth Kinetics of Microwave
Nanochemistry Enabled by in Situ High-Energy X-ray Scattering
SO NANO LETTERS
LA English
DT Article
DE Microwave nanochemistry; in situ high-energy X-ray diffraction; silver
nanoparticles; first-order reaction kinetics; self-catalytic reaction
kinetics
ID SHAPE-CONTROLLED SYNTHESIS; UNIFORM SILVER NANOWIRES; ASSISTED
SYNTHESIS; POLYOL SYNTHESIS; SUPERCRITICAL WATER; GREEN SYNTHESIS;
NANOPARTICLES; NANOSTRUCTURES; NANOCRYSTALS; CHEMISTRY
AB The fast reaction kinetics presented in the microwave synthesis of colloidal silver nanoparticles was quantitatively studied, for the first time, by integrating a microwave reactor with in situ X-ray diffraction at a high-energy synchrotron beamline. Comprehensive data analysis reveals two different types of reaction kinetics corresponding to the nucleation and growth of the Ag nanoparticles. The formation of seeds (nucleation) follows typical first-order reaction kinetics with activation energy of 20.34 kJ/mol, while the growth of seeds (growth) follows typical self-catalytic reaction kinetics. Varying the synthesis conditions indicates that the microwave colloidal chemistry is independent of concentration of surfactant. These discoveries reveal that the microwave synthesis of Ag nanoparticles proceeds with reaction kinetics significantly different from the synthesis present in conventional oil bath heating. The in situ X-ray diffraction technique reported in this work is promising to enable further understanding of crystalline nanomaterials formed through microwave synthesis.
C1 [Liu, Qi; Gao, Min-Rui; Liu, Yuzi; Sun, Yugang] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
[Okasinski, John S.; Ren, Yang] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA.
RP Sun, YG (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM ygsun@anl.gov
RI Sun, Yugang /A-3683-2010; Liu, Yuzi/C-6849-2011
OI Sun, Yugang /0000-0001-6351-6977;
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-06CH11357]; DOE Office of Science by Argonne National
Laboratory [DE-AC02-06CH11357]
FX 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. 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 45
TC 3
Z9 3
U1 5
U2 29
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 2016
VL 16
IS 1
BP 715
EP 720
DI 10.1021/acs.nanolett.5b04541
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 DB2FC
UT WOS:000368322700109
PM 26625184
ER
PT J
AU Ma, L
Luo, XY
Kropf, AJ
Wen, JG
Wang, XP
Lee, S
Myers, DJ
Miller, D
Wu, TP
Lu, J
Amine, K
AF Ma, Lu
Luo, Xiangyi
Kropf, A. Jeremy
Wen, Jianguo
Wang, Xiaoping
Lee, Sungsik
Myers, Deborah J.
Miller, Dean
Wu, Tianpin
Lu, Jun
Amine, Khalil
TI Insight into the Catalytic Mechanism of Bimetallic Platinum-Copper
Core-Shell Nanostructures for Nonaqueous Oxygen Evolution Reactions
SO NANO LETTERS
LA English
DT Article
DE bimetallic catalysts; oxygen evolution reaction; X-ray absorption
spectroscopy; nanostructures; alloys
ID RECHARGEABLE LI-O-2 BATTERIES; LITHIUM-AIR BATTERIES; REDUCTION
REACTION; ELECTROCATALYSTS; SURFACES; NANOPARTICLES; NANOCRYSTALS;
REACTIVITY; PROGRESS; DESIGN
AB The oxygen evolution reaction (OER) plays a critical role in multiple energy conversion and storage applications. However, its sluggish kinetics usually results in large voltage polarization and unnecessary energy loss. Therefore, designing efficient catalysts that could facilitate this process has become an emerging topic. Here, we present a unique Pt-Cu core-shell nanostructure for catalyzing the nonaqueous OER. The catalysts were systematically investigated with comprehensive spectroscopic techniques, and applied in nonaqueous Li-O-2 electrochemical cells, which exhibited dramatically reduced charging overpotential (<0.2 V). The superior performance is explained by the robust Cu(I) surface sites stabilized by the Pt core in the nanostructure. The insights into the catalytic mechanism of the unique Pt-Cu core-shell nanostructure gained in this work are expected to serve as a guide for future design of other nanostructured bimetallic OER catalysts.
C1 [Ma, Lu; Lee, Sungsik; Wu, Tianpin] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA.
[Luo, Xiangyi] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Kropf, A. Jeremy; Wang, Xiaoping; Myers, Deborah J.; Lu, Jun; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Wen, Jianguo; Miller, Dean] Argonne Natl Lab, Ctr Nanoscale Mat, Ctr Electron Microscopy, Argonne, IL 60439 USA.
RP Wu, TP (reprint author), Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM twu@aps.anl.gov; junlu@anl.gov; amine@anl.gov
RI BM, MRCAT/G-7576-2011
FU U.S. Department of Energy under the Vehicle Technologies Office,
Department of Energy, Office of Energy Efficiency and Renewable Energy
(EERE) [DE-AC0206CH11357]; U.S. Department of Energy; MRCAT; U.S.
Department of Energy, Office of Basic Energy Sciences
[DE-AC02-06CH11357]
FX This work was supported by the U.S. Department of Energy under Contract
DE-AC0206CH11357 from the Vehicle Technologies Office, Department of
Energy, Office of Energy Efficiency and Renewable Energy (EERE). MRCAT
operations are supported by the U.S. Department of Energy and the MRCAT
member institutions. Use of the Advanced Photon Source and the Electron
Microscopy Center, Center for Nanoscale Materials was supported by the
U.S. Department of Energy, Office of Basic Energy Sciences, under
contract No. DE-AC02-06CH11357.
NR 37
TC 2
Z9 2
U1 31
U2 149
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 2016
VL 16
IS 1
BP 781
EP 785
DI 10.1021/acs.nanolett.5b04794
PG 5
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 DB2FC
UT WOS:000368322700119
PM 26709945
ER
PT J
AU Sutter-Fella, CM
Li, YB
Amani, M
Ager, JW
Toma, FM
Yablonovitch, E
Sharp, ID
Javey, A
AF Sutter-Fella, Carolin M.
Li, Yanbo
Amani, Matin
Ager, Joel W., III
Toma, Francesca M.
Yablonovitch, Eli
Sharp, Ian D.
Javey, Ali
TI High Photoluminescence Quantum Yield in Band Gap Tunable Bromide
Containing Mixed Halide Perovskites
SO NANO LETTERS
LA English
DT Article
DE Halide perovskite; wide band gap semiconductor; quantum yield; tandem
device
ID TANDEM SOLAR-CELL; EFFICIENCY; PERFORMANCE; CH3NH3PBI3; TRIHALIDE;
EXCITONS; LENGTHS
AB Hybrid organic inorganic halide perovskite based semiconductor materials are attractive for use in a wide range of optoelectronic devices because they combine the advantages of suitable optoelectronic attributes and simultaneously low-cost solution processability. Here, we present a two-step low-pressure vapor-assisted solution process to grow high quality homogeneous CH3NH3PbI3-xBrx perovskite films over the full band gap range of 1.6-2.3 eV. Photoluminescence light-in versus light-out characterization techniques are used to provide new insights into the optoelectronic properties of Br-containing hybrid organic inorganic perovskites as a function of optical carrier injection by employing pump-powers over a 6 orders of magnitude dynamic range. The internal luminescence quantum yield of wide band gap perovskites reaches impressive values up to 30%. This high quantum yield translates into substantial quasi-Fermi level splitting and high "luminescence or optically implied" open-circuit voltage. Most importantly, both attributes, high internal quantum yield and high optically implied open-circuit voltage, are demonstrated over the entire band gap range (1.6 eV <= E-g < 2.3 eV). These results establish the versatility of Br-containing perovskite semiconductors for a variety of applications and especially for the use as high-quality top cell in tandem photovoltaic devices in combination with industry dominant Si bottom cells.
C1 [Sutter-Fella, Carolin M.; Amani, Matin; Yablonovitch, Eli; Javey, Ali] Univ Calif Berkeley, Elect Engn & Comp Sci, Berkeley, CA 94720 USA.
[Sutter-Fella, Carolin M.; Amani, Matin; Ager, Joel W., III; Yablonovitch, Eli; Javey, Ali] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Li, Yanbo; Toma, Francesca M.; Sharp, Ian D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
[Li, Yanbo; Toma, Francesca M.; Sharp, Ian D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Ager, Joel W., III] Univ Calif Berkeley, Mat Sci & Engn, Berkeley, CA 94720 USA.
RP Sharp, ID (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
EM idsharp@lbl.gov; ajavey@berkeley.edu
RI Li, Yanbo/A-3461-2009;
OI Li, Yanbo/0000-0002-3017-762X; Sutter-Fella, Carolin/0000-0002-7769-0869
FU Office of Science, Office of Basic Energy Sciences, Materials Sciences
and Engineering Division of the U.S. Department of Energy
[DE-AC02-05CH11231]; Office of Science of the U.S. Department of Energy
[DE-SC0004993]; Office of Science, Office of Basic Energy Sciences, of
the U.S. Department of Energy [DE-AC02-05CH11231]; Swiss National
Science Foundation [P2EZP2_155586]
FX The optical characterization and quantum yield measurements were
supported by the Electronic Materials program, funded by the Director,
Office of Science, Office of Basic Energy Sciences, Materials Sciences
and Engineering Division of the U.S. Department of Energy under Contract
No. DE-AC02-05CH11231. Perovskite process development, thin film
synthesis, and structural characterization were performed at 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. SEM/EDX measurements were performed at
the Molecular Foundry, 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. C.M.S.-F. acknowledges financial support
from the Swiss National Science Foundation (P2EZP2_155586).
NR 51
TC 22
Z9 22
U1 17
U2 110
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 2016
VL 16
IS 1
BP 800
EP 806
DI 10.1021/acs.nanolett.5b04884
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 DB2FC
UT WOS:000368322700123
PM 26691065
ER
PT J
AU Pham, T
Goldstein, AP
Lewicki, JP
Kucheyev, SO
Wang, C
Russell, TP
Worsley, MA
Woo, L
Mickelson, W
Zettl, A
AF Pham, Thang
Goldstein, Anna P.
Lewicki, James P.
Kucheyev, Sergei O.
Wang, Cheng
Russell, Thomas P.
Worsley, Marcus A.
Woo, Leta
Mickelson, William
Zettl, Alex
TI Nanoscale structure and superhydrophobicity of sp(2)-bonded boron
nitride aerogels (vol 7, pg 10449, 2015)
SO NANOSCALE
LA English
DT Correction
C1 [Pham, Thang; Goldstein, Anna P.; Mickelson, William; Zettl, Alex] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Pham, Thang] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Pham, Thang; Mickelson, William; Zettl, Alex] Univ Calif Berkeley, Ctr Integrated Nanomech Syst, Berkeley, CA 94720 USA.
[Pham, Thang; Goldstein, Anna P.; Zettl, Alex] Univ Calif Berkeley, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.
[Pham, Thang; Goldstein, Anna P.; Zettl, Alex] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Goldstein, Anna P.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Lewicki, James P.; Kucheyev, Sergei O.; Worsley, Marcus A.; Woo, Leta] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA.
[Wang, Cheng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Russell, Thomas P.] Univ Massachusetts, Conte Polymer Res Ctr, Dept Polymer Sci & Engn, Amherst, MA 01003 USA.
[Russell, Thomas P.; Zettl, Alex] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Zettl, A (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
EM azettl@berkeley.edu
RI Zettl, Alex/O-4925-2016
OI Zettl, Alex/0000-0001-6330-136X
NR 1
TC 0
Z9 0
U1 6
U2 19
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 2016
VL 8
IS 3
BP 1705
EP 1705
DI 10.1039/c5nr90227d
PG 1
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DA8FJ
UT WOS:000368040200057
PM 26676371
ER
PT J
AU Abrams, T
Jaworski, MA
Chen, M
Carter, EA
Kaita, R
Stotler, DP
De Temmerman, G
Morgan, TW
van den Berg, MA
van der Meiden, HJ
AF Abrams, T.
Jaworski, M. A.
Chen, M.
Carter, E. A.
Kaita, R.
Stotler, D. P.
De Temmerman, G.
Morgan, T. W.
van den Berg, M. A.
van der Meiden, H. J.
TI Suppressed gross erosion of high-temperature lithium via rapid deuterium
implantation
SO NUCLEAR FUSION
LA English
DT Article
DE lithium; lithium sputtering; ion implantation; Magnum-PSI; liquid
metals; deuterium retention
ID LIQUID LITHIUM; DYNAMICS; BOMBARDMENT; SIMULATION; COATINGS; PT(111)
AB Lithium-coated high-Z substrates are planned for use in the NSTX-U divertor and are a candidate plasma facing component (PFC) for reactors, but it remains necessary to characterize the gross Li erosion rate under high plasma fluxes (>10(23) m(-2) s(-1)), typical for the divertor region. In this work, a realistic model for the compositional evolution of a Li/D layer is developed that incorporates first principles molecular dynamics (MD) simulations of D diffusion in liquid Li. Predictions of Li erosion from a mixed Li/D material are also developed that include formation of lithium deuteride (LiD). The erosion rate of Li from LiD is predicted to be significantly lower than from pure Li. This prediction is tested in the Magnum-PSI linear plasma device at ion fluxes of 10(23)-10(24) m(-2) s(-1) and Li surface temperatures. 800 degrees C. Li/LiD coatings ranging in thickness from 0.2 to 500 mu m are studied. The dynamic D/Li concentrations are inferred via diffusion simulations. The pure Li erosion rate remains greater than Langmuir Law evaporation, as expected. For mixed-material Li/LiD surfaces, the erosion rates are reduced, in good agreement with modelling in almost all cases. These results imply that the temperature limit for a Li-coated PFC may be significantly higher than previously imagined.
C1 [Abrams, T.; Jaworski, M. A.; Kaita, R.; Stotler, D. P.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[Chen, M.; Carter, E. A.] Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA.
[De Temmerman, G.; Morgan, T. W.; van den Berg, M. A.; van der Meiden, H. J.] DIFFER Dutch Inst Fundamental Energy Res, FOM Inst, Trilateral Euregio Cluster, Associate EURATOM FOM, NL-3430 BE Nieuwegein, Netherlands.
RP Abrams, T (reprint author), Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37830 USA.
EM abramst@fusion.gat.com
RI Morgan, Thomas/B-3789-2017; Chen, Mohan/F-4621-2017
OI Morgan, Thomas/0000-0002-5066-015X; Chen, Mohan/0000-0002-8071-5633
FU US DOE [DE-AC02-09CH11466]; US DOE Fusion Energy Sciences Fellowship;
Stichting voor Fundamenteel Onderzoek der Materie (FOM) - Nederlandse
Organisatie voor Wetenschappelijk Onderzoek (NWO)
FX This work was supported by US DOE contract DE-AC02-09CH11466 and the US
DOE Fusion Energy Sciences Fellowship. FOM authors are supported by the
Stichting voor Fundamenteel Onderzoek der Materie (FOM), which is
financially supported by the Nederlandse Organisatie voor
Wetenschappelijk Onderzoek (NWO).
NR 38
TC 2
Z9 2
U1 2
U2 13
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 1
PY 2016
VL 56
IS 1
AR 016022
DI 10.1088/0029-5515/56/1/016022
PG 10
WC Physics, Fluids & Plasmas
SC Physics
GA DA6SB
UT WOS:000367934400027
ER
PT J
AU Bertelli, N
Jaeger, EF
Hosea, JC
Phillips, CK
Berry, L
Bonoli, PT
Gerhardt, SP
Green, D
LeBlanc, B
Perkins, RJ
Qin, CM
Pinsker, RI
Prater, R
Ryan, PM
Taylor, G
Valeo, EJ
Wilson, JR
Wright, JC
Zhang, XJ
AF Bertelli, N.
Jaeger, E. F.
Hosea, J. C.
Phillips, C. K.
Berry, L.
Bonoli, P. T.
Gerhardt, S. P.
Green, D.
LeBlanc, B.
Perkins, R. J.
Qin, C. M.
Pinsker, R. I.
Prater, R.
Ryan, P. M.
Taylor, G.
Valeo, E. J.
Wilson, J. R.
Wright, J. C.
Zhang, X. J.
TI Full wave simulations of fast wave efficiency and power losses in the
scrape-off layer of tokamak plasmas in mid/high harmonic and minority
heating regimes
SO NUCLEAR FUSION
LA English
DT Article
DE fast wave; heating losses; scrape-off layer; HHFW; ICRH; SOL; power
losses
ID ALCATOR C-MOD; DIII-D TOKAMAK; NSTX; PERFORMANCE; DEVICE
AB Several experiments on different machines and in different fast wave (FW) heating regimes, such as hydrogen minority heating and high harmonic fast waves (HHFW), have found strong interaction between radio-frequency (RF) waves and the scrape-off layer (SOL) region. This paper examines the propagation and the power loss in the SOL by using the full wave code AORSA, in which the edge plasma beyond the last closed flux surface (LCFS) is included in the solution domain and a collisional damping parameter is used as a proxy to represent the real, and most likely nonlinear, damping processes. 2D and 3D AORSA results for the National Spherical Torus eXperiment (NSTX) have shown a strong transition to higher SOL power losses (driven by the RF field) when the FW cut-off is removed from in front of the antenna by increasing the edge density. Here, full wave simulations have been extended for 'conventional' tokamaks with higher aspect ratios, such as the DIII-D, Alcator C-Mod, and EAST devices. DIII-D results in HHFW regime show similar behavior found in NSTX and NSTX-U, consistent with previous DIII-D experimental observations. In contrast, a different behavior has been found for C-Mod and EAST, which operate in the minority heating regime.
C1 [Bertelli, N.; Hosea, J. C.; Phillips, C. K.; Gerhardt, S. P.; LeBlanc, B.; Perkins, R. J.; Taylor, G.; Valeo, E. J.; Wilson, J. R.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[Jaeger, E. F.] XCEL Engn Inc, Oak Ridge, TN 37830 USA.
[Berry, L.; Green, D.; Ryan, P. M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Bonoli, P. T.; Wright, J. C.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA.
[Qin, C. M.; Zhang, X. J.] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China.
[Pinsker, R. I.; Prater, R.] Gen Atom Co, San Diego, CA 92186 USA.
RP Bertelli, N (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
EM nbertell@pppl.gov
FU U.S. Department of Energy, Office of Science, Office of Fusion Energy
Sciences [DE-FC02-01ER54648, DE-AC02-09CH11466, DE-AC05-00OR22725,
DE-AC02-05CH11231]
FX This material is based upon work supported by the U.S. Department of
Energy, Office of Science, Office of Fusion Energy Sciences under
contract numbers DE-FC02-01ER54648, DE-AC02-09CH11466,
DE-AC05-00OR22725, and DE-AC02-05CH11231.
NR 35
TC 1
Z9 1
U1 2
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 1
PY 2016
VL 56
IS 1
AR 016019
DI 10.1088/0029-5515/56/1/016019
PG 10
WC Physics, Fluids & Plasmas
SC Physics
GA DA6SB
UT WOS:000367934400024
ER
PT J
AU Chen, M
Abrams, T
Jaworski, MA
Carter, EA
AF Chen, Mohan
Abrams, T.
Jaworski, M. A.
Carter, Emily A.
TI Rock-salt structure lithium deuteride formation in liquid lithium with
high-concentrations of deuterium: a first-principles molecular dynamics
study
SO NUCLEAR FUSION
LA English
DT Article
DE liquid lithium; lithium deuteride; diffusivity; phase transition;
nucleation; molecular dynamics; density funtional theory
ID GENERALIZED GRADIENT APPROXIMATION; EMBEDDED-ATOM METHOD; MOLTEN
LITHIUM; ALKALI-METALS; ELECTRON-GAS; TEMPERATURE; PRESSURE; HYDROGEN;
DENSITY; SYSTEMS
AB Because of lithium's possible use as a first wall material in a fusion reactor, a fundamental understanding of the interactions between liquid lithium (Li) and deuterium (D) is important. We predict structural and dynamical properties of liquid Li samples with high concentrations of D, as derived from first-principles molecular dynamics simulations. Liquid Li samples with four concentrations of inserted D atoms (LiD beta, beta = 0.25, 0.50, 0.75, and 1.00) are studied at temperatures ranging from 470 to 1143 K. Densities, diffusivities, pair distribution functions, bond angle distribution functions, geometries, and charge transfer between Li and D atoms are calculated and analyzed. The analysis suggests liquid-solid phase transitions can occur at some concentrations and temperatures, forming rock-salt LiD within liquid Li. We also observe formation of some D-2 molecules at high D concentrations.
C1 [Chen, Mohan; Carter, Emily A.] Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA.
[Abrams, T.; Jaworski, M. A.] Princeton Plasma Phys Lab, Princeton, NJ 08544 USA.
[Carter, Emily A.] Princeton Univ, Andlinger Ctr Energy & Environm, Princeton, NJ 08544 USA.
[Carter, Emily A.] Princeton Univ, Program Appl & Computat Math, Princeton, NJ 08544 USA.
RP Chen, M (reprint author), Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA.
EM eac@princeton.edu
RI Chen, Mohan/F-4621-2017
OI Chen, Mohan/0000-0002-8071-5633
FU Office of Fusion Energy Sciences, U.S. Department of Energy
[DE-SC0008598]
FX The authors are grateful for discussions with Prof. A.Z.
Panagiotopoulos, Prof. P.G. Debenedetti, and Dr. F.H. Stillinger. The
authors thank Ms. N. Baughman and Mr. W.C. Witt for help with editing
this manuscript. This work was supported by the Office of Fusion Energy
Sciences, U.S. Department of Energy under Award DE-SC0008598. All
computations were performed at the Terascale Infrastructure for
Groundbreaking Research in Science and Engineering (TIGRESS) high
performance computing center at Princeton University.
NR 56
TC 1
Z9 1
U1 3
U2 14
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 1
PY 2016
VL 56
IS 1
AR 016020
DI 10.1088/0029-5515/56/1/016020
PG 13
WC Physics, Fluids & Plasmas
SC Physics
GA DA6SB
UT WOS:000367934400025
ER
PT J
AU Ding, R
Stangeby, PC
Rudakov, DL
Elder, JD
Tskhakaya, D
Wampler, WR
Kirschner, A
McLean, AG
Guo, HY
Chan, VS
Snyder, PB
AF Ding, R.
Stangeby, P. C.
Rudakov, D. L.
Elder, J. D.
Tskhakaya, D.
Wampler, W. R.
Kirschner, A.
McLean, A. G.
Guo, H. Y.
Chan, V. S.
Snyder, P. B.
TI Simulation of gross and net erosion of high-Z materials in the DIII-D
divertor
SO NUCLEAR FUSION
LA English
DT Article
DE erosion; redeposition; high-Z material
ID PLASMA-WALL TRANSITION; MAGNETIC-FIELD; TUNGSTEN; CODE; MOLYBDENUM;
TRANSPORT; DEVICES; CARBON; ITER
AB The three-dimensional Monte Carlo code ERO has been used to simulate dedicated DIII-D experiments in which Mo and W samples with different sizes were exposed to controlled and well-diagnosed divertor plasma conditions to measure the gross and net erosion rates. Experimentally, the net erosion rate is significantly reduced due to the high local redeposition probability of eroded high-Z materials, which according to the modelling is mainly controlled by the electric field and plasma density within the Chodura sheath. Similar redeposition ratios were obtained from ERO modelling with three different sheath models for small angles between the magnetic field and the material surface, mainly because of their similar mean ionization lengths. The modelled redeposition ratios are close to the measured value. Decreasing the potential drop across the sheath can suppress both gross and net erosion because sputtering yield is decreased due to lower incident energy while the redeposition ratio is not reduced owing to the higher electron density in the Chodura sheath. Taking into account material mixing in the ERO surface model, the net erosion rate of high-Z materials is shown to be strongly dependent on the carbon impurity concentration in the background plasma; higher carbon concentration can suppress net erosion. The principal experimental results such as net erosion rate and profile and redeposition ratio are well reproduced by the ERO simulations.
C1 [Ding, R.; Guo, H. Y.; Chan, V. S.; Snyder, P. B.] Gen Atom Co, San Diego, CA 92186 USA.
[Ding, R.; Guo, H. Y.] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Anhui, Peoples R China.
[Ding, R.] Oak Ridge Associated Univ, Oak Ridge, TN 37831 USA.
[Stangeby, P. C.; Elder, J. D.] Univ Toronto, Inst Aerosp Studies, Toronto, ON M3H 5T6, Canada.
[Rudakov, D. L.] Univ Calif San Diego, La Jolla, CA 92093 USA.
[Tskhakaya, D.] TU Wien, Inst Appl Phys, Fus OAW, A-1040 Vienna, Austria.
[Tskhakaya, D.] Univ Innsbruck, Inst Theoret Phys, A-6020 Innsbruck, Austria.
[Wampler, W. R.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Kirschner, A.] Forschungszentrum Julich, Inst Energy & Climate Res Plasma Phys, D-52425 Julich, Germany.
[McLean, A. G.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Ding, R (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA.
EM rding@ipp.ac.cn
FU US Department of Energy, Office of Science, Office of Fusion Energy
Sciences; US Department of Energy Office of Advanced Scientific
Computing Research [DE-FC02-04ER54698, DE-FG02-07ER54917,
DE-AC52-07NA27344]; US Department of Energy's National Nuclear Security
Administration [DE-AC04-94AL85000]; National Magnetic Confinement Fusion
Science Program of China [2013GB107004]; National Natural Science
Foundation of China [11375010]; Sino-German Center for Research
Promotion [GZ769]; [FWF P26544-N27]
FX This material is based upon work supported by the US Department of
Energy, Office of Science, Office of Fusion Energy Sciences and Office
of Advanced Scientific Computing Research through the Scientific
Discovery through Advanced Computing (SciDAC) project on Plasma-Surface
Interactions, using the DIII-D National Fusion Facility, a DOE Office of
Science user facility, under Awards DE-FC02-04ER54698,
DE-FG02-07ER54917, and DE-AC52-07NA27344. 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. 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. The first author acknowledges the supports
by the National Magnetic Confinement Fusion Science Program of China
under contract Nos 2013GB107004, the National Natural Science Foundation
of China under Contract Nos 11375010, and the Sino-German Center for
Research Promotion under Contract No GZ769. D. Tskhakaya acknowledges
the support by the project FWF P26544-N27.
NR 31
TC 2
Z9 2
U1 5
U2 17
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 1
PY 2016
VL 56
IS 1
AR 016021
DI 10.1088/0029-5515/56/1/016021
PG 10
WC Physics, Fluids & Plasmas
SC Physics
GA DA6SB
UT WOS:000367934400026
ER
PT J
AU Howard, NT
Holland, C
White, AE
Greenwald, M
Candy, J
AF Howard, N. T.
Holland, C.
White, A. E.
Greenwald, M.
Candy, J.
TI Multi-scale gyrokinetic simulation of tokamak plasmas: enhanced heat
loss due to cross-scale coupling of plasma turbulence
SO NUCLEAR FUSION
LA English
DT Article
DE gyrokinetics; plasma turbulence; validation; multi-scale; multiscale
ID ELECTRON-TEMPERATURE-GRADIENT; ZONAL FLOWS; TRANSPORT; CONFINEMENT
AB The transport of heat in laboratory and astrophysical plasmas is dominated by the complex nonlinear dynamics of plasma turbulence. In magnetically confined plasmas used for fusion energy research, turbulence is responsible for cross-field transport that limits the performance of tokamak reactors. We report a set of novel gyrokinetic simulations that capture ion and electron-scale turbulence simultaneously, revealing the dynamics of cross-scale energy transfer and zonal flow modification that give rise to heat losses. Multi-scale simulations are required to match experimental ion and electron heat fluxes and electron profile stiffness, establishing the applicability of the newly discovered physics to experiment. Importantly, these results provide a likely explanation for the loss of electron heat from tokamak plasmas, the 'great unsolved problem' (Bachelor et al (2007 Plasma Sci. Technol. 9 312-87)) in plasma turbulence and the projected dominant loss channel in ITER.
C1 [Howard, N. T.] Oak Ridge Inst Sci Educ, Oak Ridge, TN 37831 USA.
[Holland, C.] Univ Calif San Diego, La Jolla, CA 92093 USA.
[White, A. E.; Greenwald, M.] MIT, Cambridge, MA 02139 USA.
[Candy, J.] Gen Atom, San Diego, CA 92121 USA.
RP Howard, NT (reprint author), Oak Ridge Inst Sci Educ, Oak Ridge, TN 37831 USA.
EM nthoward@psfc.mit.edu
FU DOE [DE-FC02-99ER54512-CMOD]; Office of Science of the US Department of
Energy [DE-AC02-05CH11231]
FX This work was supported by DOE contract - DE-FC02-99ER54512-CMOD and in
part by an appointment to the US DOE Fusion Energy Postdoctoral Research
Program administered by ORISE. Simulations were carried out at the
National Energy Research Scientific Computing Center, supported by the
Office of Science of the US Department of Energy under contract number
DE-AC02-05CH11231 and as part of research for the Center for Simulation
of Plasma Microturbulence (CSPM).
NR 44
TC 12
Z9 12
U1 5
U2 9
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 1
PY 2016
VL 56
IS 1
AR 014004
DI 10.1088/0029-5515/56/1/014004
PG 7
WC Physics, Fluids & Plasmas
SC Physics
GA DA6SB
UT WOS:000367934400005
ER
PT J
AU King, JD
Strait, EJ
Ferraro, NM
Hanson, JM
Haskey, SR
Lanctot, MJ
Liu, YQ
Logan, N
Paz-Soldan, C
Shiraki, D
Turnbull, AD
AF King, J. D.
Strait, E. J.
Ferraro, N. M.
Hanson, J. M.
Haskey, S. R.
Lanctot, M. J.
Liu, Y. Q.
Logan, N.
Paz-Soldan, C.
Shiraki, D.
Turnbull, A. D.
TI Landau resonant modification of multiple kink mode contributions to 3D
tokamak equilibria
SO NUCLEAR FUSION
LA English
DT Article
DE tokamaks; equilibrium; magnetohydrodynamics; kinks; kinetic effects
ID PLASMAS
AB Detailed measurements of the plasma's response to applied magnetic perturbations provide experimental evidence that the form of three-dimensional (3D) tokamak equilibria, with toroidal mode number n = 1, is determined by multiple stable kink modes at high-pressure. For pressures greater than the ideal magnetohydrodynamic (MHD) stability limit, as calculated without a stabilizing wall, the 3D structure transitions in a way that is qualitatively predicted by an extended MHD model that includes kinetic wave-particle interactions. These changes in poloidal mode structure are correlated with the proximity of rotation profiles to thermal ion bounce and the precession drift frequencies suggesting that these kinetic resonances are modifying the relative amplitudes of the stable modes. These results imply that each kink may eventually be independently controlled.
C1 [King, J. D.; Strait, E. J.; Ferraro, N. M.; Lanctot, M. J.; Paz-Soldan, C.; Turnbull, A. D.] Gen Atom, San Diego, CA 92186 USA.
[Hanson, J. M.] Columbia Univ, New York, NY 10027 USA.
[Haskey, S. R.] Australian Natl Univ, Res Sch Phys Sci & Engn, Plasma Res Lab, Canberra, ACT 0200, Australia.
[Liu, Y. Q.] Culham Sci Ctr, Culham Ctr Fus Energy, Abingdon OX14 3DB, Oxon, England.
[Logan, N.] Princeton Plasma Phys Lab, Princeton, NJ 08540 USA.
[Shiraki, D.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP King, JD (reprint author), Gen Atom, San Diego, CA 92186 USA.
EM josh.king@science.doe.gov
RI Lanctot, Matthew J/O-4979-2016
OI Lanctot, Matthew J/0000-0002-7396-3372
FU US Department of Energy, Office of Science, Office of Fusion Energy
Sciences [DE-FC02-04ER54698, DE-FG02-04ER54761, DE-AC02-09CH11466,
DE-AC05-00OR23100]
FX This material is based upon work supported 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-FC02-04ER54698, DE-FG02-04ER54761, DE-AC02-09CH11466,
and DE-AC05-00OR23100. 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. The authors wish to thank Z. Wang
and F. Turco for their MARS-F/K support.
NR 29
TC 1
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U1 1
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 1
PY 2016
VL 56
IS 1
AR 014003
DI 10.1088/0029-5515/56/1/014003
PG 5
WC Physics, Fluids & Plasmas
SC Physics
GA DA6SB
UT WOS:000367934400004
ER
PT J
AU Peebles, J
McGuffey, C
Krauland, CM
Jarrott, LC
Sorokovikova, A
Wei, MS
Park, J
Chen, H
McLean, HS
Wagner, C
Spinks, M
Gaul, EW
Dyer, G
Hegelich, BM
Martinez, M
Donovan, M
Ditmire, T
Krasheninnikovand, SI
Beg, FN
AF Peebles, J.
McGuffey, C.
Krauland, C. M.
Jarrott, L. C.
Sorokovikova, A.
Wei, M. S.
Park, J.
Chen, H.
McLean, H. S.
Wagner, C.
Spinks, M.
Gaul, E. W.
Dyer, G.
Hegelich, B. M.
Martinez, M.
Donovan, M.
Ditmire, T.
Krasheninnikovand, S. I.
Beg, F. N.
TI Impact of pre-plasma on fast electron generation and transport from
short pulse, high intensity lasers
SO NUCLEAR FUSION
LA English
DT Article
DE laser plasma interaction; inertial confinement fusion; pre-plasma
ID ABSORPTION; IGNITION; LIGHT
AB Previous experiments and modeling examining the impact of an underdense, pre-formed plasma in laser-plasma interactions have shown that the fast electrons are generated with energies higher than predicted by ponderomotive scaling [4, 3-14]. We report on experiments using the Texas Petawatt high intensity (150 fs, 1.5 x 10(20) W cm(-2)) laser pulse, which were conducted to examine the mechanism for accelerating these high energy electrons. These experiments gauge the impact a controlled low density pre-formed plasma has on electron generation with a shorter time scale than previous experiments, 150-180 fs. Electron temperatures measured via magnetic spectrometer on experiment were found to be independent of preformed plasma. Supplemental computational results using 1D PIC simulations predict that super-ponderomotive electrons are generated inside a potential well in the pre-plasma [1]. However, while the potential well is established around 150 fs, the electrons require at least an additional 50 fs to be trapped and heated inside it.
C1 [Peebles, J.; McGuffey, C.; Krauland, C. M.; Jarrott, L. C.; Sorokovikova, A.; Krasheninnikovand, S. I.; Beg, F. N.] Univ Calif San Diego, Energy Res Ctr, San Diego, CA 92093 USA.
[Wei, M. S.] Gen Atom, San Diego, CA 92121 USA.
[Park, J.; Chen, H.; McLean, H. S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Wagner, C.; Spinks, M.; Gaul, E. W.; Dyer, G.; Hegelich, B. M.; Martinez, M.; Donovan, M.; Ditmire, T.] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA.
RP Peebles, J (reprint author), Univ Calif San Diego, Energy Res Ctr, San Diego, CA 92093 USA.
OI Peebles, Jonathan/0000-0001-6488-3277
NR 30
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U1 5
U2 23
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 1
PY 2016
VL 56
IS 1
AR 016007
DI 10.1088/0029-5515/56/1/016007
PG 7
WC Physics, Fluids & Plasmas
SC Physics
GA DA6SB
UT WOS:000367934400012
ER
PT J
AU Petty, CC
Kinsey, JE
Holcomb, CT
DeBoo, JC
Doyle, EJ
Ferron, JR
Garofalo, AM
Hyatt, AW
Jackson, GL
Luce, TC
Murakami, M
Politzer, PA
Reimerdes, H
AF Petty, C. C.
Kinsey, J. E.
Holcomb, C. T.
DeBoo, J. C.
Doyle, E. J.
Ferron, J. R.
Garofalo, A. M.
Hyatt, A. W.
Jackson, G. L.
Luce, T. C.
Murakami, M.
Politzer, P. A.
Reimerdes, H.
TI High-beta, steady-state hybrid scenario on DIII-D
SO NUCLEAR FUSION
LA English
DT Article
DE steady state tokamak; hybrid; advanced tokamak
ID CYCLOTRON CURRENT DRIVE; HIGH-PERFORMANCE DISCHARGES; INTERNAL TRANSPORT
BARRIER; NEOCLASSICAL TEARING MODE; FUSION POWER-PLANT; ASDEX UPGRADE; D
TOKAMAK; BOOTSTRAP CURRENT; COMPLETE SUPPRESSION; IGNITION TOKAMAK
AB The potential of the hybrid scenario (first developed as an advanced inductive scenario for high fluence) as a regime for high-beta, steady-state plasmas is demonstrated on the DIII-D tokamak. These experiments show that the beneficial characteristics of hybrids, namely safety factor >= 1 with low central magnetic shear, high stability limits and excellent confinement, are maintained when strong central current drive (electron cyclotron and neutral beam) is applied to increase the calculated non-inductive fraction to approximate to 100% (approximate to 50% bootstrap current). The best discharges achieve normalized beta of 3.4, IPB98(y,2) confinement factor of 1.4, surface loop voltage of 0.01 V, and nearly equal electron and ion temperatures at low collisionality. A 0D physics model shows that steady-state hybrid operation with Q(fus) similar to 5 is feasible in FDF and ITER. The advantage of the hybrid scenario as an advanced tokamak regime is that the external current drive can be deposited near the plasma axis where the efficiency is high; additionally, good alignment between the current drive and plasma current profiles is not necessary as the poloidal magnetic flux pumping self-organizes the current density profile in hybrids with an m/n = 3/2 tearing mode.
C1 [Petty, C. C.; DeBoo, J. C.; Ferron, J. R.; Garofalo, A. M.; Hyatt, A. W.; Jackson, G. L.; Luce, T. C.; Politzer, P. A.] Gen Atom Co, San Diego, CA 92186 USA.
[Kinsey, J. E.] CompX, Del Mar, CA USA.
[Holcomb, C. T.] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Doyle, E. J.] Univ Calif Los Angeles, Los Angeles, CA USA.
[Murakami, M.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Reimerdes, H.] Ctr Rech Phys Plasmas, Lausanne, Switzerland.
RP Petty, CC (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA.
EM petty@fusion.gat.com
FU US Department of Energy, Office of Science, Office of Fusion Energy
Sciences [DE-FC02-04ER54698, DE-AC52-07NA27344, DE-FG02-08ER54984,
DE-AC05-00OR22725, DE-FG02-04ER54761]
FX This material is based upon work supported 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-FC02-04ER54698, DE-AC52-07NA27344, DE-FG02-08ER54984,
DE-AC05-00OR22725, and DE-FG02-04ER54761. 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.
NR 97
TC 2
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U1 1
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 1
PY 2016
VL 56
IS 1
AR 016016
DI 10.1088/0029-5515/56/1/016016
PG 16
WC Physics, Fluids & Plasmas
SC Physics
GA DA6SB
UT WOS:000367934400021
ER
PT J
AU Qin, H
Liu, J
Xiao, JY
Zhang, RL
He, Y
Wang, YL
Sun, YJ
Burby, JW
Ellison, L
Zhou, Y
AF Qin, Hong
Liu, Jian
Xiao, Jianyuan
Zhang, Ruili
He, Yang
Wang, Yulei
Sun, Yajuan
Burby, Joshua W.
Ellison, Leland
Zhou, Yao
TI Canonical symplectic particle-in-cell method for long-term large-scale
simulations of the Vlasov-Maxwell equations
SO NUCLEAR FUSION
LA English
DT Article
DE particle-in-cell simulations; Vlasov-Maxwell equations; canonical
symplectic algorithm
ID CONTINUOUS HAMILTONIAN SYSTEM; INTEGRATION; ALGORITHMS
AB Particle-in-cell (PIC) simulation is the most important numerical tool in plasma physics. However, its long-term accuracy has not been established. To overcome this difficulty, we developed a canonical symplectic PIC method for the Vlasov-Maxwell system by discretising its canonical Poisson bracket. A fast local algorithm to solve the symplectic implicit time advance is discovered without root searching or global matrix inversion, enabling applications of the proposed method to very large-scale plasma simulations with many, e.g. 10(9), degrees of freedom. The long-term accuracy and fidelity of the algorithm enables us to numerically confirm Mouhot and Villani's theory and conjecture on nonlinear Landau damping over several orders of magnitude using the PIC method, and to calculate the nonlinear evolution of the reflectivity during the mode conversion process from extraordinary waves to Bernstein waves.
C1 [Qin, Hong; Liu, Jian; Xiao, Jianyuan; Zhang, Ruili; He, Yang; Wang, Yulei] Univ Sci & Technol China, Sch Nucl Sci & Technol, Hefei 230026, Anhui, Peoples R China.
[Qin, Hong; Liu, Jian; Xiao, Jianyuan; Zhang, Ruili; He, Yang; Wang, Yulei] Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China.
[Qin, Hong; Burby, Joshua W.; Ellison, Leland; Zhou, Yao] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA.
[Liu, Jian; Xiao, Jianyuan; Zhang, Ruili; Wang, Yulei] Chinese Acad Sci, Key Lab Geospace Environm, Hefei 230026, Anhui, Peoples R China.
[Sun, Yajuan] Chinese Acad Sci, Acad Math & Syst Sci, LSEC, Beijing 100190, Peoples R China.
RP Qin, H (reprint author), Univ Sci & Technol China, Sch Nucl Sci & Technol, Hefei 230026, Anhui, Peoples R China.
EM hongqin@ustc.edu.cn
FU ITER-China Program [2015GB111003, 2014GB124005, 2013GB111000];
JSPS-NRF-NSFC A3 Foresight Program in the field of Plasma Physics
[NSFC-11261140328]; CAS Program for Interdisciplinary Collaboration
Team; Geo-Algorithmic Plasma Simulator (GAPS) project; US Department of
Energy [DE-AC02-09CH11466]
FX This research is supported by the ITER-China Program (2015GB111003,
2014GB124005, 2013GB111000), the JSPS-NRF-NSFC A3 Foresight Program in
the field of Plasma Physics (NSFC-11261140328), the CAS Program for
Interdisciplinary Collaboration Team, the Geo-Algorithmic Plasma
Simulator (GAPS) project and the US Department of Energy
(DE-AC02-09CH11466).
NR 37
TC 0
Z9 0
U1 6
U2 23
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 1
PY 2016
VL 56
IS 1
AR 014001
DI 10.1088/0029-5515/56/1/014001
PG 7
WC Physics, Fluids & Plasmas
SC Physics
GA DA6SB
UT WOS:000367934400002
ER
PT J
AU Shi, YJ
Ko, SH
Kwon, JM
Ko, WH
Diamond, PH
Yi, S
Ida, K
Lee, KD
Jeong, JH
Seo, SH
Hahn, SH
Yoon, SW
Bae, YS
Terzolo, L
Yun, GS
Bitter, M
Hill, K
AF Shi, Y. J.
Ko, S. H.
Kwon, J. M.
Ko, W. H.
Diamond, P. H.
Yi, S.
Ida, K.
Lee, K. D.
Jeong, J. H.
Seo, S. H.
Hahn, S. H.
Yoon, S. W.
Bae, Y. S.
Terzolo, L.
Yun, G. S.
Bitter, M.
Hill, K.
TI Toroidal rotation profile structure in KSTAR L-mode plasmas with mixed
heating by NBI and ECH
SO NUCLEAR FUSION
LA English
DT Article
DE toroidal rotation; KSTAR; ECH; L-mode
ID H-MODE; INJECTION; TOKAMAKS; SYSTEM
AB The structure of the toroidal rotation profile with mixed heating by neutral beam injection (NBI) and electron cyclotron resonance heating (ECH) has been investigated in KSTAR L-mode plasmas. ECH with varying resonance layer positions was used for heating a mix control. The experimental results show that ECH causes a counter-current rotation increment both for off-axis and on-axis ECH heating. For L-mode plasmas, off-axis ECH produces larger counter-current rotation than on-axis ECH. Analysis of ion heat and momentum transport for the ECH L-mode plasmas shows that the electron temperature gradient is the main reason for the degradation of ion heat confinement and also the main driving force for the non-diffusive momentum flux. As a possible mechanism for the counter-current intrinsic torque with ECH, the transition of the turbulence mode from ion temperature gradient (ITG) to the trapped electron mode (TEM) with the resulting sign change of turbulence driven residual stress is suggested. A linear gyro-kinetic analysis shows the ITG. TEM transition occurs in a localized region during ECH injection, and the trend of TEM excitation is consistent with the observed macroscopic trend of the toroidal rotation.
C1 [Shi, Y. J.; Ko, S. H.; Kwon, J. M.; Ko, W. H.; Yi, S.; Lee, K. D.; Jeong, J. H.; Seo, S. H.; Hahn, S. H.; Yoon, S. W.; Bae, Y. S.; Terzolo, L.] Natl Fus Res Inst, Daejeon 34133, South Korea.
[Shi, Y. J.] Seoul Natl Univ, Dept Nucl Engn, Seoul 08826, South Korea.
[Shi, Y. J.] Univ Sci & Technol China, Sch Nucl Sci & Technol, Hefei 230026, Peoples R China.
[Diamond, P. H.] Univ Calif San Diego, CMTFO, San Diego, CA 92093 USA.
[Diamond, P. H.] Univ Calif San Diego, CASS, San Diego, CA 92093 USA.
[Ida, K.] Natl Inst Fus Sci, Toki, Gifu 5095292, Japan.
[Yun, G. S.] Pohang Univ Sci & Technol, Dept Phys, Pohang 37673, South Korea.
[Bitter, M.; Hill, K.] Princeton Plasma Phys Lab, Princeton, NJ 08540 USA.
RP Shi, YJ (reprint author), Seoul Natl Univ, Dept Nucl Engn, Seoul 08826, South Korea.
EM yjshi@ipp.ac.cn
RI Ida, Katsumi/E-4731-2016
OI Ida, Katsumi/0000-0002-0585-4561
FU World Class Institute (WCI) Program of the National Research Foundation
of Korea (NRF) - Ministry of Education, Science and Technology of Korea
(MEST) (NRF Grant) [WCI 2009-001]; US Department of Energy (DOE)
[DE-FG02-04ER54738]; CMTFO
FX The authors thank the participants of the 4th APTWG workshop, 25th IAEA
FEC and 13th Transport and Confinement Topic Group Meeting of ITPA for
helpful discussions and encouragement. Also, S.H. Ko is grateful to J.
Candy for useful discussion and suggestion on the GYRO analysis. This
work was partly supported by the World Class Institute (WCI) Program of
the National Research Foundation of Korea (NRF) funded by the Ministry
of Education, Science and Technology of Korea (MEST) (NRF Grant No. WCI
2009-001) and the US Department of Energy (DOE) under Award Number
DE-FG02-04ER54738 and CMTFO.
NR 34
TC 3
Z9 3
U1 2
U2 12
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 1
PY 2016
VL 56
IS 1
AR 016014
DI 10.1088/0029-5515/56/1/016014
PG 8
WC Physics, Fluids & Plasmas
SC Physics
GA DA6SB
UT WOS:000367934400019
ER
PT S
AU Gandolfi, S
Steiner, AW
AF Gandolfi, S.
Steiner, A. W.
GP IOP
TI Neutron matter, symmetry energy and neutron stars
SO NUCLEAR PHYSICS IN ASTROPHYSICS VI (NPA6)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 6th Nuclear Physics in Astrophysics Conference (NPA)
CY MAY 19-24, 2013
CL Hungarian Acad Sci, Inst Nucl Res, Lisbon, PORTUGAL
SP European Phys Soc, Nucl Phys Div, European Phys Soc, Sociedade Portuguesa Fisica, Sociedade Portuguesa Astronomia, Univ Lisboa, Centro Fisica Nucl, Univ Nova Lisboa, Faculdade Ciencias Tecnologia, Univ Coimbra, Departamento Fisica, Observatorio Astronomico Lisboa, Laboratorio Sistemas Instrumentacao Modelacao Ciencias Tecnologias Ambiente Espaco, ATHENA, JINA, Nucl Astropys Virtual Inst, Fundacao Ciencia Technologia, Helmholtz Int Ctr FAIR, EMMi, Baltic Sci Instruments, ATI Sistemas, HV, TAP Portugal
HO Hungarian Acad Sci, Inst Nucl Res
ID EQUATION-OF-STATE; MONTE-CARLO CALCULATIONS; MASS-RADIUS RELATION; DENSE
MATTER; NUCLEI; DENSITIES; SPECTRA
AB Recent progress in quantum Monte Carlo with modern nucleon-nucleon interactions have enabled the successful description of properties of light nuclei and neutron-rich matter. Of particular interest is the nuclear symmetry energy, the energy cost of creating an isospin asymmetry, and its connection to the structure of neutron stars. Combining these advances with recent observations of neutron star masses and radii gives insight into the equation of state of neutron-rich matter near and above the saturation density. In particular, neutron star radius measurements constrain the derivative of the symmetry energy.
C1 [Gandolfi, S.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Steiner, A. W.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA.
[Steiner, A. W.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA.
RP Gandolfi, S (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
OI Gandolfi, Stefano/0000-0002-0430-9035
NR 42
TC 1
Z9 1
U1 1
U2 4
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2016
VL 665
AR 012063
DI 10.1088/1742-6596/665/1/012063
PG 8
WC Astronomy & Astrophysics; Physics, Nuclear
SC Astronomy & Astrophysics; Physics
GA BE1NP
UT WOS:000368236600063
ER
PT S
AU Isaak, J
Beller, J
Fiori, E
Glorius, J
Krticka, M
Loher, B
Pietralla, N
Romig, C
Rusev, G
Savran, D
Scheck, M
Silva, J
Sonnabend, K
Tonchev, AP
Tornow, W
Weller, HR
Zweidinger, M
AF Isaak, J.
Beller, J.
Fiori, E.
Glorius, J.
Krticka, M.
Loeher, B.
Pietralla, N.
Romig, C.
Rusev, G.
Savran, D.
Scheck, M.
Silva, J.
Sonnabend, K.
Tonchev, A. P.
Tornow, W.
Weller, H. R.
Zweidinger, M.
GP IOP
TI Investigation of the Photon Strength Function in Te-130
SO NUCLEAR PHYSICS IN ASTROPHYSICS VI (NPA6)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 6th Nuclear Physics in Astrophysics Conference (NPA)
CY MAY 19-24, 2013
CL Hungarian Acad Sci, Inst Nucl Res, Lisbon, PORTUGAL
SP European Phys Soc, Nucl Phys Div, European Phys Soc, Sociedade Portuguesa Fisica, Sociedade Portuguesa Astronomia, Univ Lisboa, Centro Fisica Nucl, Univ Nova Lisboa, Faculdade Ciencias Tecnologia, Univ Coimbra, Departamento Fisica, Observatorio Astronomico Lisboa, Laboratorio Sistemas Instrumentacao Modelacao Ciencias Tecnologias Ambiente Espaco, ATHENA, JINA, Nucl Astropys Virtual Inst, Fundacao Cienceia Technologia, Helmholtz Int Ctr FAIR, EMMi, Baltic Sci Instruments, ATI Sistemas, HV, TAP Portugal
HO Hungarian Acad Sci, Inst Nucl Res
ID DIPOLE RESONANCE
AB The dipole strength distribution of Te-130 was investigated with the method of Nuclear Resonance Fluorescence using continuous-energy bremsstrahlung at the Darmstadt High Intensity Photon Setup and quasi-monoenergetic photons at the High Intensity (gamma) over right arrow -Ray Source. The average decay properties were determined between 5.50 and 8.15 MeV and compared to simulations within the statistical model.
C1 [Isaak, J.; Fiori, E.; Loeher, B.; Savran, D.; Silva, J.] GSI Helmholtzzentrum Schwerionenforsch GmbH, ExtreMe Matter Inst EMMI, Darmstadt, Germany.
[Isaak, J.; Fiori, E.; Loeher, B.; Savran, D.; Silva, J.] GSI Helmholtzzentrum Schwerionenforsch GmbH, Div Res, Darmstadt, Germany.
[Isaak, J.; Fiori, E.; Loeher, B.; Savran, D.; Silva, J.] FIAS, Frankfurt, Germany.
[Beller, J.; Pietralla, N.; Romig, C.; Scheck, M.; Zweidinger, M.] Tech Univ Darmstadt, Inst Kernphys, Darmstadt, Germany.
[Glorius, J.; Sonnabend, K.] Goethe Univ Frankfurt, Inst Angew Phys, Frankfurt, Germany.
[Krticka, M.] Charles Univ Prague, Fac Math & Phys, Prague 8, Czech Republic.
[Rusev, G.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA.
[Scheck, M.] Univ West Scotland, Sch Engn, Paisley PA1 2BE, Renfrew, Scotland.
[Scheck, M.] Scottish Univ Phys Alliance, SUPA, Glasgow G12 8QQ, Lanark, Scotland.
[Tonchev, A. P.] Lawrence Livermore Natl Lab, Phys Div, Livermore, CA 94550 USA.
[Tornow, W.; Weller, H. R.] Triangle Univ Nucl Lab, Durham, NC 27708 USA.
[Tornow, W.; Weller, H. R.] Duke Univ, Dept Phys, Durham, NC 27708 USA.
RP Isaak, J (reprint author), GSI Helmholtzzentrum Schwerionenforsch GmbH, ExtreMe Matter Inst EMMI, Darmstadt, Germany.
EM j.isaak@gsi.de
NR 15
TC 0
Z9 0
U1 3
U2 6
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2016
VL 665
AR 012039
DI 10.1088/1742-6596/665/1/012039
PG 4
WC Astronomy & Astrophysics; Physics, Nuclear
SC Astronomy & Astrophysics; Physics
GA BE1NP
UT WOS:000368236600039
ER
PT S
AU Nsangu, CT
Laird, AM
Parikh, A
Adsley, P
Birch, MD
Chen, AA
Faestermann, T
Fox, SP
Fulton, BR
Hertenberger, R
Irvine, D
Kay, BP
Longland, R
Manwell, S
Murphy, ASJ
Schmitt, K
de Sereville, N
Tomlinson, JR
Wirth, HF
AF Nsangu, C. T.
Laird, A. M.
Parikh, A.
Adsley, P.
Birch, M. D.
Chen, A. A.
Faestermann, T.
Fox, S. P.
Fulton, B. R.
Hertenberger, R.
Irvine, D.
Kay, B. P.
Longland, R.
Manwell, S.
Murphy, A. St J.
Schmitt, K.
de Sereville, N.
Tomlinson, J. R.
Wirth, H-F
GP IOP
TI The Ne-20(d,p)Ne-21 transfer reaction in relation to the s-process
abundances
SO NUCLEAR PHYSICS IN ASTROPHYSICS VI (NPA6)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 6th Nuclear Physics in Astrophysics Conference (NPA)
CY MAY 19-24, 2013
CL Hungarian Acad Sci, Inst Nucl Res, Lisbon, PORTUGAL
SP European Phys Soc, Nucl Phys Div, European Phys Soc, Sociedade Portuguesa Fisica, Sociedade Portuguesa Astronomia, Univ Lisboa, Centro Fisica Nucl, Univ Nova Lisboa, Faculdade Ciencias Tecnologia, Univ Coimbra, Departamento Fisica, Observatorio Astronomico Lisboa, Laboratorio Sistemas Instrumentacao Modelacao Ciencias Tecnologias Ambiente Espaco, ATHENA, JINA, Nucl Astropys Virtual Inst, Fundacao Cienceia Technologia, Helmholtz Int Ctr FAIR, EMMi, Baltic Sci Instruments, ATI Sistemas, HV, TAP Portugal
HO Hungarian Acad Sci, Inst Nucl Res
AB A study of the Ne-20(d,p)Ne-21 transfer reaction was performed using the Quadrupole Dipole Dipole Dipole (Q3D) magnetic spectrograph in Garching, Germany. The experiment probed excitation energies in Ne-21 ranging from 6.9 MeV to 8.5 MeV. The aim was to investigate the spectroscopic information of Ne-21 within the Gamow window of core helium burning in massive stars. Further information in this region will help reduce the uncertainties on the extrapolation down to Gamow window cross sections of the O-17(alpha,gamma)Ne-21 reaction. In low metallicity stars, this reaction has a direct impact on s-process abundances by determining the fate of O-16 as either a neutron poison or a neutron absorber.
The experiment used a 22-MeV deuteron beam, with intensities varying from 0.5-1 mu A, and an implanted target of Ne-20 of 7 mu g/cm(2) in 40 mu g/cm(2) carbon foils. Sixteen Ne-21 peaks have been identified in the E-x = 6.9-8.5 MeV range, of which only thirteen peaks correspond to known states. Only the previously-known E-x = 7.960 MeV state was observed within the Gamow window.
C1 [Nsangu, C. T.; Laird, A. M.; Adsley, P.; Fox, S. P.; Fulton, B. R.; Kay, B. P.; Tomlinson, J. R.] Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England.
[Parikh, A.; Longland, R.] Univ Politecn Cataluna, Dept Fis & Engn Nucl, E-08036 Barcelona, Spain.
[Parikh, A.] Inst Estudis Espacials Catalunya, E-08034 Barcelona, Spain.
[Birch, M. D.; Chen, A. A.; Irvine, D.; Manwell, S.] McMaster Univ, Dept Phys & Astron, Hamilton, ON L8S 4M1, Canada.
[Faestermann, T.; Hertenberger, R.; Wirth, H-F] Munchner Univ, Maier Leibnitz Lab, D-85748 Garching, Germany.
[Murphy, A. St J.] Univ Edinburgh, Sch Phys & Astron, SUPA, Edinburgh EH9 3JZ, Midlothian, Scotland.
[Schmitt, K.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[de Sereville, N.] Univ Paris 11, CNRS, IN2P3, Inst Phys Nucl Orsay,UMR8608, F-91406 Orsay, France.
RP Nsangu, CT (reprint author), Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England.
EM tn507@york.ac.uk
RI Kay, Benjamin/F-3291-2011
OI Kay, Benjamin/0000-0002-7438-0208
NR 8
TC 0
Z9 0
U1 1
U2 3
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2016
VL 665
AR 012026
DI 10.1088/1742-6596/665/1/012026
PG 4
WC Astronomy & Astrophysics; Physics, Nuclear
SC Astronomy & Astrophysics; Physics
GA BE1NP
UT WOS:000368236600026
ER
PT S
AU Nusair, O
Bauder, W
Gyurky, G
Paul, M
Collon, P
Fulop, Z
Greene, J
Kinoshita, N
Palchan, T
Pardo, R
Rehm, KE
Scott, R
Vondrasek, R
AF Nusair, O.
Bauder, W.
Gyuerky, G.
Paul, M.
Collon, P.
Fueloep, Zs
Greene, J.
Kinoshita, N.
Palchan, T.
Pardo, R.
Rehm, K. E.
Scott, R.
Vondrasek, R.
GP IOP
TI Accelerator Mass Spectrometry in Laboratory Nuclear Astrophysics
SO NUCLEAR PHYSICS IN ASTROPHYSICS VI (NPA6)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 6th Nuclear Physics in Astrophysics Conference (NPA)
CY MAY 19-24, 2013
CL Hungarian Acad Sci, Inst Nucl Res, Lisbon, PORTUGAL
SP European Phys Soc, Nucl Phys Div, European Phys Soc, Sociedade Portuguesa Fisica, Sociedade Portuguesa Astronomia, Univ Lisboa, Centro Fisica Nucl, Univ Nova Lisboa, Faculdade Ciencias Tecnologia, Univ Coimbra, Departamento Fisica, Observatorio Astronomico Lisboa, Laboratorio Sistemas Instrumentacao Modelacao Ciencias Tecnologias Ambiente Espaco, ATHENA, JINA, Nucl Astropys Virtual Inst, Fundacao Cienceia Technologia, Helmholtz Int Ctr FAIR, EMMi, Baltic Sci Instruments, ATI Sistemas, HV, TAP Portugal
HO Hungarian Acad Sci, Inst Nucl Res
ID P-PROCESS NUCLEOSYNTHESIS; REACTION-RATES; CROSS-SECTION; MODEL
AB The extreme sensitivity and discrimination power of accelerator mass spectrometry (AMS) allows for the search and the detection of rare nuclides either in natural samples or produced in the laboratory. At Argonne National Laboratory, we are developing an AMS setup aimed in particular at the detection of medium and heavy nuclides, relying on the high ion energy achievable with the ATLAS superconducting linear accelerator and on gas-filled magnet isobaric separation. The setup was recently used for the detection of the Sm-146 p-process nuclide and for a new determination of the Sm-146 half-life (68.7 My). AMS plays an important role in the measurement of stellar nuclear reaction cross sections by the activation method, extending thus the technique to the study of production of long-lived radionuclides. Preliminary measurements of the Sm-147(gamma, n) Sm-146 are described. A measurement of the Nd-142(alpha, beta) Sm-146 and Nd-142(alpha, n) Sm-145 reactions is in preparation. A new laser-ablation method for the feeding of the Electron Cyclotron Resonance (ECR) ion source is described.
C1 [Nusair, O.; Greene, J.; Palchan, T.; Pardo, R.; Rehm, K. E.; Scott, R.; Vondrasek, R.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA.
[Bauder, W.; Collon, P.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA.
[Gyuerky, G.; Fueloep, Zs] MTA Atomki, H-4001 Debrecen, Hungary.
[Paul, M.] Hebrew Univ Jerusalem, Racah Inst Phys, IL-91904 Jerusalem, Israel.
[Kinoshita, N.] Univ Tsukuba, Res Facil Ctr Sci & Technol, Tsukuba, Ibaraki, Japan.
RP Paul, M (reprint author), Hebrew Univ Jerusalem, Racah Inst Phys, IL-91904 Jerusalem, Israel.
EM paul@vms.huji.ac.il
RI Fulop, Zsolt/B-2262-2008
NR 19
TC 0
Z9 0
U1 4
U2 7
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2016
VL 665
AR 012076
DI 10.1088/1742-6596/665/1/012076
PG 7
WC Astronomy & Astrophysics; Physics, Nuclear
SC Astronomy & Astrophysics; Physics
GA BE1NP
UT WOS:000368236600076
ER
PT S
AU Palumbo, A
AF Palumbo, A.
GP IOP
TI EMPIRE: A code for nuclear astrophysics
SO NUCLEAR PHYSICS IN ASTROPHYSICS VI (NPA6)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 6th Nuclear Physics in Astrophysics Conference (NPA)
CY MAY 19-24, 2013
CL Hungarian Acad Sci, Inst Nucl Res, Lisbon, PORTUGAL
SP European Phys Soc, Nucl Phys Div, European Phys Soc, Sociedade Portuguesa Fisica, Sociedade Portuguesa Astronomia, Univ Lisboa, Centro Fisica Nucl, Univ Nova Lisboa, Faculdade Ciencias Tecnologia, Univ Coimbra, Departamento Fisica, Observatorio Astronomico Lisboa, Laboratorio Sistemas Instrumentacao Modelacao Ciencias Tecnologias Ambiente Espaco, ATHENA, JINA, Nucl Astropys Virtual Inst, Fundacao Ciencia Technologia, Helmholtz Int Ctr FAIR, EMMi, Baltic Sci Instruments, ATI Sistemas, HV, TAP Portugal
HO Hungarian Acad Sci, Inst Nucl Res
ID REACTION-RATES; NUCLEOSYNTHESIS; MODEL
AB The nuclear reaction code EMPIRE is presented as a useful tool for nuclear astrophysics. EMPIRE combines a variety of the reaction models with a comprehensive library of input parameters providing a diversity of options for the user. With exclusion of the direct-semidirect capture all reaction mechanisms relevant to the nuclear astrophysics energy range of interest are implemented in the code. Comparison to experimental data show consistent agreement for all relevant channels.
C1 [Palumbo, A.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
RP Palumbo, A (reprint author), Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
EM apalumbo@bnl.gov
NR 34
TC 0
Z9 0
U1 1
U2 2
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2016
VL 665
AR 012055
DI 10.1088/1742-6596/665/1/012055
PG 6
WC Astronomy & Astrophysics; Physics, Nuclear
SC Astronomy & Astrophysics; Physics
GA BE1NP
UT WOS:000368236600055
ER
PT S
AU Paris, M
Hale, G
Hayes-Sterbenz, A
Jungman, G
AF Paris, M.
Hale, G.
Hayes-Sterbenz, A.
Jungman, G.
GP IOP
TI R-matrix analysis of reactions in the B-9 compound system applied to the
Li-7 problem in BBN
SO NUCLEAR PHYSICS IN ASTROPHYSICS VI (NPA6)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 6th Nuclear Physics in Astrophysics Conference (NPA)
CY MAY 19-24, 2013
CL Hungarian Acad Sci, Inst Nucl Res, Lisbon, PORTUGAL
SP European Phys Soc, Nucl Phys Div, European Phys Soc, Sociedade Portuguesa Fisica, Sociedade Portuguesa Astronomia, Univ Lisboa, Centro Fisica Nucl, Univ Nova Lisboa, Faculdade Ciencias Tecnologia, Univ Coimbra, Departamento Fisica, Observatorio Astronomico Lisboa, Laboratorio Sistemas Instrumentacao Modelacao Ciencias Tecnologias Ambiente Espaco, ATHENA, JINA, Nucl Astropys Virtual Inst, Fundacao Cienceia Technologia, Helmholtz Int Ctr FAIR, EMMi, Baltic Sci Instruments, ATI Sistemas, HV, TAP Portugal
HO Hungarian Acad Sci, Inst Nucl Res
ID NUCLEAR-REACTIONS; RESONANCE; LITHIUM
AB Recent activity in solving the 'lithium problem' in big bang nucleosynthesis has focused on the role that putative resonances may play in resonance-enhanced destruction of Li-7. Particular attention has been paid to the reactions involving the B-9 compound nuclear system, d+Be-7 -> B-9. These reactions are analyzed via the multichannel, two-body unitary R-matrix method using the code EDA developed by Hale and collaborators. We employ much of the known elastic and reaction data, in a four-channel treatment. The data include elastic He-3+Li-6 differential cross sections from 0.7 to 2.0 MeV, integrated reaction cross sections for energies from 0.7 to 5.0 MeV for Li-6(He-3,p)Be-8* and from 0.4 to 5.0 MeV for the Li-6(He-3,d)Be-7 reaction. Capture data have been added to an earlier analysis with integrated cross section measurements from 0.7 to 0.825 MeV for Li-6(He-3,gamma)B-9. The resulting resonance parameters are compared with tabulated values, and previously unidentified resonances are noted. Our results show that there are no near d+Be-7 threshold resonances with widths that are 10's of keV and reduce the likelihood that a resonance-enhanced mass-7 destruction mechanism, as suggested in recently published work, can explain the Li-7 problem.
C1 [Paris, M.; Hale, G.; Hayes-Sterbenz, A.; Jungman, G.] Los Alamos Natl Lab, Nucl & Particle Phys T2, Astrophys & Cosmol, Los Alamos, NM 87545 USA.
RP Paris, M (reprint author), Los Alamos Natl Lab, Nucl & Particle Phys T2, Astrophys & Cosmol, POB 1663, Los Alamos, NM 87545 USA.
EM mparis@lanl.gov
OI Paris, Mark/0000-0003-0471-7896
NR 17
TC 0
Z9 0
U1 0
U2 2
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2016
VL 665
AR 012006
DI 10.1088/1742-6596/665/1/012006
PG 4
WC Astronomy & Astrophysics; Physics, Nuclear
SC Astronomy & Astrophysics; Physics
GA BE1NP
UT WOS:000368236600006
ER
PT J
AU Wang, YC
Zhang, Q
Liu, F
Wan, XJ
Kan, B
Feng, HR
Yang, X
Russell, TP
Chen, YS
AF Wang, Yunchuang
Zhang, Qian
Liu, Feng
Wan, Xiangjian
Kan, Bin
Feng, Huanran
Yang, Xuan
Russell, Thomas P.
Chen, Yongsheng
TI Alkylthio substituted thiophene modified benzodithiophene-based highly
efficient photovoltaic small molecules
SO ORGANIC ELECTRONICS
LA English
DT Article
DE Organic solar cell; Small molecule; Solution processed; Alkylthio chain
ID POLYMER SOLAR-CELLS; POWER CONVERSION EFFICIENCY; N-TYPE POLYMER;
10-PERCENT EFFICIENCY; DEVICE OPTIMIZATION; FULLERENE; ACCEPTOR; DONOR;
DITHIENOSILOLE; AGGREGATION
AB Two new small molecules, namely DRSBDTT-EH and DRSBDTT-BO, with alkylthio thienyl substituted benzodithiophene as the central unit and 3-ethylrhodanine as end groups, were designed and studied as the donors for solution processed organic solar cells. The optimized device based on DRSBDTT-EH bearing shorter alkylthio chain gave a power conversion efficiency (PCE) of 8.78%, which is slightly higher than that of device (8.53%) based on DRSBDIT-BO with longer alkylthio chain. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Wang, Yunchuang; Zhang, Qian; Wan, Xiangjian; Kan, Bin; Feng, Huanran; Yang, Xuan; Chen, Yongsheng] Nankai Univ, State Key Lab, Tianjin 300071, Peoples R China.
[Wang, Yunchuang; Zhang, Qian; Wan, Xiangjian; Kan, Bin; Feng, Huanran; Yang, Xuan; Chen, Yongsheng] Nankai Univ, Collaborat Innovat Ctr Chem Sci & Engn Tianjin, Inst Elementoorgan Chem, Tianjin 300071, Peoples R China.
[Wang, Yunchuang; Zhang, Qian; Wan, Xiangjian; Kan, Bin; Feng, Huanran; Yang, Xuan; Chen, Yongsheng] Nankai Univ, Coll Chem, Key Lab Funct Polymer Mat, Tianjin 300071, Peoples R China.
[Wang, Yunchuang; Zhang, Qian; Wan, Xiangjian; Kan, Bin; Feng, Huanran; Yang, Xuan; Chen, Yongsheng] Nankai Univ, Coll Chem, Ctr Nanoscale Sci & Technol, Inst Polymer Chem, Tianjin 300071, Peoples R China.
[Liu, Feng; Russell, Thomas P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Russell, Thomas P.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA.
RP Chen, YS (reprint author), Nankai Univ, Coll Chem, Key Lab Funct Polymer Mat, Tianjin 300071, Peoples R China.
EM iamfengliu@gmail.com; xjwan@nankai.edu.cn; yschen99@nankai.edu.cn
RI Liu, Feng/J-4361-2014
OI Liu, Feng/0000-0002-5572-8512
FU MoST [2014CB643502]; NSFC [51373078, 51422304, 91433101]; PCSIRT
[IRT1257]; Polymer-Based Materials for Harvesting Solar Energy (PhaSE)
Energy Frontier Research Center - U.S. Department of Energy, Office of
Basic Energy Sciences [DE-SC0001087]; [13RCGFGX01121]
FX The authors gratefully acknowledge the financial support from MoST
(2014CB643502), NSFC (51373078, 51422304 and 91433101), PCSIRT (IRT1257)
and Tianjin city (13RCGFGX01121). TPR and FL were supported by
Polymer-Based Materials for Harvesting Solar Energy (PhaSE) Energy
Frontier Research Center funded by the U.S. Department of Energy, Office
of Basic Energy Sciences under award number DE-SC0001087.
NR 43
TC 7
Z9 7
U1 9
U2 37
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1566-1199
EI 1878-5530
J9 ORG ELECTRON
JI Org. Electron.
PD JAN
PY 2016
VL 28
BP 263
EP 268
DI 10.1016/j.orgel.2015.10.006
PG 6
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA DA4MZ
UT WOS:000367775300039
ER
PT J
AU Johnston, SF
Cohen, MF
Torok, T
Meentemeyer, RK
Rank, NE
AF Johnston, Steven F.
Cohen, Michael F.
Torok, Tamas
Meentemeyer, Ross K.
Rank, Nathan E.
TI Host Phenology and Leaf Effects on Susceptibility of California Bay
Laurel to Phytophthora ramorum
SO PHYTOPATHOLOGY
LA English
DT Article
ID SUDDEN OAK DEATH; INVASIVE FOREST PATHOGEN; THEOBROMA-CACAO;
ENVIRONMENTAL-FACTORS; DISEASE PROGRESSION; IN-VITRO; OREGON;
RESISTANCE; INFESTANS; TRANSMISSION
AB Spread of the plant pathogen Phytophthora ramorum, causal agent of the forest disease sudden oak death, is driven by a few competent hosts that support spore production from foliar lesions. The relationship between traits of a principal foliar host, California bay laurel (Umbellularia californica), and susceptibility to P. ramorum infection were investigated with multiple P. ramorum isolates and leaves collected from multiple trees in leaf-droplet assays. We examined whether susceptibility varies with season, leaf age, or inoculum position. Bay laurel susceptibility was highest during spring and summer and lowest in winter. Older leaves (>1 year) were more susceptible than younger ones (8 to 11 months). Susceptibility was greater at leaf tips and edges than the middle of the leaf. Leaf surfaces wiped with 70% ethanol were more susceptible to P. ramorum infection than untreated leaf surfaces. Our results indicate that seasonal changes in susceptibility of U. californica significantly influence P. ramorum infection levels. Thus, in addition to environmental variables such as temperature and moisture, variability in host plant susceptibility contributes to disease establishment of P. ramorum.
C1 [Johnston, Steven F.; Cohen, Michael F.; Rank, Nathan E.] Sonoma State Univ, Dept Biol, Rohnert Pk, CA 94928 USA.
[Torok, Tamas] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
[Meentemeyer, Ross K.] N Carolina State Univ, Dept Forestry & Environm Resources, Raleigh, NC 27606 USA.
RP Rank, NE (reprint author), Sonoma State Univ, Dept Biol, Rohnert Pk, CA 94928 USA.
EM rank@sonoma.edu
FU United States Department of Agriculture Forest Service, Pacific
Southwest Research Station; Northern California Botanists
FX We thank the following individuals for their assistance with this work.
E. Fichtner and K. Aram from the Rizzo lab at UC-Davis provided insights
into culturing and infectivity assay methodology. Sonoma State
University students J. Embree, C. Windsor, and E. Yamamoto helped with
laboratory work. Discussions with F. Lavoipierre, W. Dillon, and B.
Anacker helped situate the study within "the big picture" and W. Dillon
made the map. S. Schumacher provided valuable support and inspiration.
This manuscript was improved greatly by comments by two anonymous
reviewers and the Phytopathology editor. We gratefully acknowledge
financial support from the United States Department of Agriculture
Forest Service, Pacific Southwest Research Station and Northern
California Botanists.
NR 93
TC 0
Z9 0
U1 6
U2 20
PU AMER PHYTOPATHOLOGICAL SOC
PI ST PAUL
PA 3340 PILOT KNOB ROAD, ST PAUL, MN 55121 USA
SN 0031-949X
EI 1943-7684
J9 PHYTOPATHOLOGY
JI Phytopathology
PD JAN
PY 2016
VL 106
IS 1
BP 47
EP 55
DI 10.1094/PHYTO-01-15-0016-R
PG 9
WC Plant Sciences
SC Plant Sciences
GA DB2DN
UT WOS:000368318600005
PM 26439707
ER
PT J
AU Browning, PK
Cardnell, S
Evans, M
Lucini, FA
Lukin, VS
McClements, KG
Stanier, A
AF Browning, P. K.
Cardnell, S.
Evans, M.
Lucini, F. Arese
Lukin, V. S.
McClements, K. G.
Stanier, A.
TI Two-fluid and magnetohydrodynamic modelling of magnetic reconnection in
the MAST spherical tokamak and the solar corona
SO PLASMA PHYSICS AND CONTROLLED FUSION
LA English
DT Article
DE magnetic reconnection; spherical tokamak; solar corona; flux ropes;
magnetic helicity; solar coronal heating
ID GUIDE FIELD; FLUX TUBES; RELAXATION; PLASMA
AB Twisted magnetic flux ropes are ubiquitous in laboratory and astrophysical plasmas, and the merging of such flux ropes through magnetic reconnection is an important mechanism for restructuring magnetic fields and releasing free magnetic energy. The merging-compression scenario is one possible start-up scheme for spherical tokamaks, which has been used on the Mega Amp Spherical Tokamak (MAST). Two current-carrying plasma rings or flux ropes approach each due to mutual attraction, forming a current sheet and subsequently merge through magnetic reconnection into a single plasma torus, with substantial plasma heating. Two-dimensional resistive and Hall-magnetohydrodynamic simulations of this process are reported, including a strong guide field. A model of the merging based on helicity-conserving relaxation to a minimum energy state is also presented, extending previous work to tight-aspect-ratio toroidal geometry. This model leads to a prediction of the final state of the merging, in good agreement with simulations and experiment, as well as the average temperature rise. A relaxation model of reconnection between two or more flux ropes in the solar corona is also described, allowing for different senses of twist, and the implications for heating of the solar corona are discussed.
C1 [Browning, P. K.; Cardnell, S.; Evans, M.; Lucini, F. Arese; Stanier, A.] Univ Manchester, Ctr Astrophys, Jodrell Bank, Manchester M13 9PL, Lancs, England.
[Lucini, F. Arese] CUNY, Grad Ctr, New York, NY 10016 USA.
[Lukin, V. S.] Natl Sci Fdn, Arlington, VA 22230 USA.
[McClements, K. G.] Culham Sci Ctr, CCFE, Abingdon OX14 3EA, Oxon, England.
[Stanier, A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Browning, PK (reprint author), Univ Manchester, Ctr Astrophys, Jodrell Bank, Manchester M13 9PL, Lancs, England.
EM p.browning@manchester.ac.uk
FU UK STFC [ST/L000768/1]; US DoE Experimental Plasma Research program;
RCUK Energy Programme [EP/I501045]; Euratom
FX This work was funded by the UK STFC (grant number ST/L000768/1), the US
DoE Experimental Plasma Research program, the RCUK Energy Programme
under grant EP/I501045, and by Euratom. The views and opinions expressed
herein do not necessarily reflect those of the European Commission. Any
opinion, 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. We thank the referees for
their helpful comments.
NR 48
TC 3
Z9 3
U1 3
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 2016
VL 58
IS 1
SI SI
AR 014041
DI 10.1088/0741-3335/58/1/014041
PG 11
WC Physics, Fluids & Plasmas
SC Physics
GA DB4GQ
UT WOS:000368471900042
ER
PT J
AU Dance, RJ
Butler, NMH
Gray, RJ
MacLellan, DA
Rusby, DR
Scott, GG
Zielbauer, B
Bagnoud, V
Xu, H
Robinson, APL
Desjarlais, MP
Neely, D
McKenna, P
AF Dance, R. J.
Butler, N. M. H.
Gray, R. J.
MacLellan, D. A.
Rusby, D. R.
Scott, G. G.
Zielbauer, B.
Bagnoud, V.
Xu, H.
Robinson, A. P. L.
Desjarlais, M. P.
Neely, D.
McKenna, P.
TI Role of lattice structure and low temperature resistivity in
fast-electron-beam filamentation in carbon
SO PLASMA PHYSICS AND CONTROLLED FUSION
LA English
DT Article
DE laser-plasma interactions; fast-electron transport; dense plasma
ID TRANSPORT; IGNITION; PHYSICS; PLASMA
AB The influence of low temperature (eV to tens-of-eV) electrical resistivity on the onset of the filamentation instability in fast-electron transport is investigated in targets comprising of layers of ordered (diamond) and disordered (vitreous) carbon. It is shown experimentally and numerically that the thickness of the disordered carbon layer influences the degree of filamentation of the fast-electron beam. Strong filamentation is produced if the thickness is of the order of 60 mu m or greater, for an electron distribution driven by a sub-picosecond, mid-10(20) Wcm(-2) laser pulse. It is shown that the position of the vitreous carbon layer relative to the fast-electron source (where the beam current density and background temperature are highest) does not have a strong effect because the resistive filamentation growth rate is high in disordered carbon over a wide range of temperatures up to the Spitzer regime.
C1 [Dance, R. J.; Butler, N. M. H.; Gray, R. J.; MacLellan, D. A.; Rusby, D. R.; Xu, H.; Neely, D.; McKenna, P.] Univ Strathclyde, SUPA, Dept Phys, Glasgow G4 0NG, Lanark, Scotland.
[Rusby, D. R.; Scott, G. G.; Robinson, A. P. L.; Neely, D.] STFC Rutherford Appleton Lab, Cent Laser Facil, Didcot OX11 0QX, Oxon, England.
[Zielbauer, B.; Bagnoud, V.] GSI Helmholtzzentrum Schwerionenforsch GmbH, PHELIX Grp, D-64291 Darmstadt, Germany.
[Desjarlais, M. P.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Dance, RJ (reprint author), Univ Strathclyde, SUPA, Dept Phys, Glasgow G4 0NG, Lanark, Scotland.
EM paul.mckenna@strath.ac.uk
RI McKenna, Paul/B-9764-2009
OI McKenna, Paul/0000-0001-8061-7091
FU EPSRC [EP/J003832/1, EP/K022415/1]; STFC [ST/K502340/1]; LASERLAB-EUROPE
[284464]; Air Force Office of Scientific Research, Air Force Material
Command, USAF [FA8655-13-1-3008]
FX We gratefully acknowledge the PHELIX laser group at GSI and the use of
computing resources provided by STFC's e-Science project. This work is
financially supported by EPSRC (grant numbers EP/J003832/1 and
EP/K022415/1), STFC (grant number ST/K502340/1), LASERLAB-EUROPE (grant
agreement no. 284464, EC's Seventh Framework Programme) and the Air
Force Office of Scientific Research, Air Force Material Command, USAF,
under grant number FA8655-13-1-3008. Data associated with research
published in this paper is accessible at
http://dx.doi.org/10.15129/28c0a330-c993-44ba-811c-746a605774ef.
NR 34
TC 0
Z9 0
U1 1
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 2016
VL 58
IS 1
SI SI
AR 014027
DI 10.1088/0741-3335/58/1/014027
PG 9
WC Physics, Fluids & Plasmas
SC Physics
GA DB4GQ
UT WOS:000368471900028
ER
PT J
AU Proll, JHE
Mynick, HE
Xanthopoulos, P
Lazerson, SA
Faber, BJ
AF Proll, J. H. E.
Mynick, H. E.
Xanthopoulos, P.
Lazerson, S. A.
Faber, B. J.
TI TEM turbulence optimisation in stellarators
SO PLASMA PHYSICS AND CONTROLLED FUSION
LA English
DT Article
DE stellarator; turbulence; transport; optimisation
ID NEOCLASSICAL TRANSPORT; PHYSICS; GRADIENT; DESIGN; PLASMA; NCSX
AB With the advent of neoclassically optimised stellarators, optimising stellarators for turbulent transport is an important next step. The reduction of ion-temperature-gradient-driven turbulence has been achieved via shaping of the magnetic field, and the reduction of trapped-electron mode (TEM) turbulence is addressed in the present paper. Recent analytical and numerical findings suggest TEMs are stabilised when a large fraction of trapped particles experiences favourable bounce-averaged curvature. This is the case for example in Wendelstein 7-X (Beidler et al 1990 Fusion Technol. 17 148) and other Helias-type stellarators. Using this knowledge, a proxy function was designed to estimate the TEM dynamics, allowing optimal configurations for TEM stability to be determined with the STELLOPT (Spong et al 2001 Nucl. Fusion 41 711) code without extensive turbulence simulations. A first proof-of-principle optimised equilibrium stemming from the TEM-dominated stellarator experiment HSX (Anderson et al 1995 Fusion Technol. 27 273) is presented for which a reduction of the linear growth rates is achieved over a broad range of the operational parameter space. As an important consequence of this property, the turbulent heat flux levels are reduced compared with the initial configuration.
C1 [Proll, J. H. E.] Max Planck Princeton Ctr Plasma Phys, D-17491 Greifswald, Germany.
[Proll, J. H. E.; Xanthopoulos, P.] Max Planck Inst Plasma Phys, D-17491 Greifswald, Germany.
[Mynick, H. E.; Lazerson, S. A.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA.
[Faber, B. J.] Univ Wisconsin, HSX Plasma Lab, Madison, WI 53706 USA.
[Faber, B. J.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA.
RP Proll, JHE (reprint author), Max Planck Princeton Ctr Plasma Phys, Wendelsteinstr 1, D-17491 Greifswald, Germany.
EM jproll@ipp.mpg.de
RI Lazerson, Samuel/E-4816-2014;
OI Lazerson, Samuel/0000-0001-8002-0121; Faber,
Benjamin/0000-0003-4934-400X
FU Max Planck/Princeton Center for Plasma Physics; Euratom research and
training programme [633053]
FX Some of these simulations were performed on the HELIOS supercomputer,
Japan. One of the authors (J H E Proll) gratefully acknowledges funding
from the Max Planck/Princeton Center for Plasma Physics. 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 the grant agreement No 633053. The views and opinions
expressed herein do not necessarily reflect those of the European
Commission.
NR 48
TC 1
Z9 1
U1 5
U2 15
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 2016
VL 58
IS 1
SI SI
AR 014006
DI 10.1088/0741-3335/58/1/014006
PG 9
WC Physics, Fluids & Plasmas
SC Physics
GA DB4GQ
UT WOS:000368471900007
ER
PT J
AU Xu, YW
Wang, WY
Wang, YY
Zhu, JH
Uhrig, D
Lu, XY
Keum, JK
Mays, JW
Hong, KL
AF Xu, Yuewen
Wang, Weiyu
Wang, Yangyang
Zhu, Jiahua
Uhrig, David
Lu, Xinyi
Keum, Jong K.
Mays, Jimmy W.
Hong, Kunlun
TI Fluorinated bottlebrush polymers based on poly(trifluoroethyl
methacrylate): synthesis and characterization
SO POLYMER CHEMISTRY
LA English
DT Article
ID TRANSFER RADICAL POLYMERIZATION; SURFACE-PROPERTIES; MOLECULAR BRUSHES;
BULK PROPERTIES; COPOLYMERS; POLY(MACROMONOMER)S; POLYPROPYLENE;
POLYETHYLENE; HOMOPOLYMER; ACRYLATE
AB Bottlebrush polymers are densely grafted polymers with long side-chains attached to a linear polymeric backbone. Their unusual structures endow them with a number of unique and potentially useful properties in solution, in thin films, and in bulk. Despite the many studies of bottlebrushes that have been reported, the structure-property relationships for this class of materials are still poorly understood. In this contribution, we report the synthesis and characterization of fluorinated bottlebrush polymers based on poly(2,2,2-trifluoroethyl methacrylate). The synthesis was achieved by atom transfer radical polymerization (ATRP) using an alpha-bromoisobutyryl bromide functionalized norbornene initiator, followed by ring-opening metathesis polymerization (ROMP) using a third generation Grubbs' catalyst (G3). Rheological characterization revealed that the bottlebrush polymer backbones remained unentangled as indicated by the lack of a rubbery plateau in the modulus. By tuning the size of the backbone of the bottlebrush polymers, near-spherical and elongated particles representing single brush molecular morphologies were observed in a good solvent as evidenced by TEM imaging, suggesting a semi-flexible nature of their backbones in dilute solutions. Thin films of bottlebrush polymers exhibited noticeably higher static water contact angles as compared to that of the macromonomer reaching the hydrophobic regime, where little differences were observed between each bottlebrush polymer. Further investigation by AFM revealed that the surface of the macromonomer film was relatively smooth; in contrast, the surface of bottlebrush polymers displayed certain degrees of nano-scale roughness (R-q = 0.8-2.4 nm). The enhanced hydrophobicity of these bottlebrushes likely results from the preferential enrichment of the fluorine containing end groups at the periphery of the molecules and the film surface due to the side chain crowding effect. Our results provide key information towards the design of architecturally tailored fluorinated polymers with desirable properties.
C1 [Xu, Yuewen; Wang, Yangyang; Zhu, Jiahua; Uhrig, David; Keum, Jong K.; Hong, Kunlun] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Wang, Weiyu; Lu, Xinyi; Mays, Jimmy W.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
[Keum, Jong K.] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA.
RP Hong, KL (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
EM yuewenxu@hotmail.com; hongkq@ornl.gov
RI Keum, Jong/N-4412-2015; Wang, Weiyu/A-6317-2016; Zhu,
Jiahua/F-3204-2012; Wang, Yangyang/A-5925-2010; Hong, Kunlun/E-9787-2015
OI Keum, Jong/0000-0002-5529-1373; Wang, Weiyu/0000-0002-2914-1638; Zhu,
Jiahua/0000-0003-2889-3421; Wang, Yangyang/0000-0001-7042-9804; Hong,
Kunlun/0000-0002-2852-5111
NR 42
TC 3
Z9 3
U1 10
U2 37
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1759-9954
EI 1759-9962
J9 POLYM CHEM-UK
JI Polym. Chem.
PY 2016
VL 7
IS 3
BP 680
EP 688
DI 10.1039/c5py01514f
PG 9
WC Polymer Science
SC Polymer Science
GA DA6ZJ
UT WOS:000367954100020
ER
PT J
AU Lai, CH
Xu, ZJ
Pan, WX
Sun, X
Storlie, C
Marcy, P
Dietiker, JF
Li, TW
Spenik, J
AF Lai, Canhai
Xu, Zhijie
Pan, Wenxiao
Sun, Xin
Storlie, Curtis
Marcy, Peter
Dietiker, Jean-Francois
Li, Tingwen
Spenik, James
TI Hierarchical calibration and validation of computational fluid dynamics
models for solid sorbent-based carbon capture
SO POWDER TECHNOLOGY
LA English
DT Article
DE Computational fluid dynamics carbon capture; hierarchical model
validation methodology; multiphase reactive flow models; Bayesian
calibration; MFIX
ID COMPUTER-SIMULATIONS; MESOPOROUS SILICA; IMMOBILIZED AMINE; CO2 CAPTURE;
BED; UNCERTAINTY; CHALLENGES; ADSORPTION; PARTICLES; TRANSPORT
AB To quantify the predictive confidence of a device scale solid sorbent-based carbon capture design where there is no direct experimental data available,,a hierarchical validation methodology-is first proposed. In this hierarchy, a sequence of increasingly complex "unit problems" are validated using a statistical calibration framework. This paper describes the computational fluid dynamics (CFD) multi-phase reactive flow simulations and the associated data flows within each unit problem. Each validation requires both simulated and physical data, so the bench-top experiments used in each increasingly complex stage were carefully designed to follow the same operating conditions as the simulation scenarios. A Bayesian calibration procedure is employed and the posterior model parameter distributions obtained at one unit-problem level are used as prior distributions for the same parameters in the next-tier simulations. Overall, the results have demonstrated that the calibrated multiphase reactive flow models within MFIX can be used to capture the bed pressure, temperature, CO2 capture capacity, and kinetics with quantitative accuracy. The CFD modeling methodology and associated uncertainty quantification techniques presented herein offer a solid framework for estimating the predictive confidence in the virtual scale up of a larger carbon capture device. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Lai, Canhai; Xu, Zhijie; Pan, Wenxiao; Sun, Xin] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Storlie, Curtis; Marcy, Peter] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Dietiker, Jean-Francois; Li, Tingwen; Spenik, James] Natl Energy Technol Lab, Morgantown, WV 26507 USA.
RP Lai, CH (reprint author), 902 Battelle Blvd, Richland, WA 99352 USA.
EM kevin.lai@pnnl.gov
RI Xu, Zhijie/A-1627-2009
OI Xu, Zhijie/0000-0003-0459-4531
FU U.S. Department of Energy [DE-AC05-76RL01830]; U.S. Department of
Energy, Office of Fossil Energy's Carbon Capture Simulation Initiative
(CCSI) through National Energy Technology Laboratory [1830]
FX The Pacific Northwest National Laboratory is operated by the Battelle
Memorial Institute for the U.S. Department of Energy under Contact No.
of DE-AC05-76RL01830. This work was funded by the U.S. Department of
Energy, Office of Fossil Energy's Carbon Capture Simulation Initiative
(CCSI) (1830) through the National Energy Technology Laboratory.
NR 42
TC 2
Z9 2
U1 0
U2 4
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 2016
VL 288
BP 388
EP 406
DI 10.1016/j.powtec2015.11.021
PG 19
WC Engineering, Chemical
SC Engineering
GA DA5RW
UT WOS:000367861200043
ER
PT J
AU Vera, E
Alcantar-Vazquez, B
Duan, YH
Pfeiffer, H
AF Vera, Elizabeth
Alcantar-Vazquez, Brenda
Duan, Yuhua
Pfeiffer, Heriberto
TI Bifunctional application of sodium cobaltate as a catalyst and captor
through CO oxidation and subsequent CO2 chemisorption processes
SO RSC ADVANCES
LA English
DT Article
ID HIGH-TEMPERATURE; HYDROGEN-PRODUCTION; LI4SIO4-BASED SORBENTS; CAPTURE;
KINETICS; SORPTION; GAS; DECARBONATION; CARBONATION; ABSORPTION
AB The potential bifunctional mechanism of sodium cobaltate (NaCoO2) in the catalysis of CO oxidation and subsequent CO2 chemisorption was systematically analysed. Different catalytic and gravimetric experiments were performed dynamically and isothermally at multiple temperatures. Initially, the CO oxidation process was evaluated using a catalytic reactor connected to a gas chromatograph. Once the production of CO2 was confirmed, its chemisorption capacity with NaCoO2 was studied gravimetrically. Catalytic and gravimetric analysis products were studied by XRD, FTIR and SEM to elucidate the double reaction mechanism. Sodium cobaltate exhibited interesting catalytic properties over a wide temperature range, although the NaCoO2 crystalline structure and chemical composition changed during the CO2 capture process. Furthermore, all the experiments were theoretically supported by first-principles density functional theory thermodynamic calculations. The calculated thermodynamic properties of the CO oxidation and CO2 capture reactions with NaCoO2 under different oxidation conditions were in good agreement with the experimental measurements.
C1 [Vera, Elizabeth; Alcantar-Vazquez, Brenda; Pfeiffer, Heriberto] Univ Nacl Autonoma Mexico, Inst Invest Mat, Mexico City 04510, DF, Mexico.
[Duan, Yuhua] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
RP Pfeiffer, H (reprint author), Univ Nacl Autonoma Mexico, Inst Invest Mat, Circuito Exterior S-N,Cd Univ, Mexico City 04510, DF, Mexico.
EM pfeiffer@iim.unam.mx
FU SENER-CONACYT; PAPIIT-UNAM; CONACYT
FX This work was financially supported by the projects SENER-CONACYT and
PAPIIT-UNAM. E. Vera thanks to CONACYT for financial support. The
authors thank to O. Novelo, J. Romero and A. Tejeda for technical help.
NR 53
TC 3
Z9 3
U1 5
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 2016
VL 6
IS 3
BP 2162
EP 2170
DI 10.1039/c5ra22749f
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA DB0IF
UT WOS:000368191100059
ER
PT J
AU Pritychenko, B
AF Pritychenko, B.
TI Fractional authorship in nuclear physics
SO SCIENTOMETRICS
LA English
DT Article
DE Scientific authorship; Publication analysis; Nuclear data mining;
Relational databases
AB Large, multi-institutional groups or collaborations of scientists are engaged in nuclear physics research projects, and the number of research facilities is dwindling. These collaborations have their own authorship rules, and they produce a large number of highly-cited papers. Multiple authorship of nuclear physics publications creates a problem with the assessment of an individual author's productivity relative to his/her colleagues and renders ineffective a performance metrics solely based on annual publication and citation counts. Many institutions are increasingly relying on the total number of first-author papers; however, this approach becomes counterproductive for large research collaborations with an alphabetical order of authors. A concept of fractional authorship (the claiming of credit for authorship by more than one individual) helps to clarify this issue by providing a more complete picture of research activities. In the present work, nuclear physics fractional and total authorships have been investigated using nuclear data mining techniques. Historic total and fractional authorship averages have been extracted from the Nuclear Science References database, and the current range of fractional contributions has been deduced. The results of this study and their implications are discussed and conclusions presented.
C1 [Pritychenko, B.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
RP Pritychenko, B (reprint author), Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
EM pritychenko@bnl.gov
FU Office of Nuclear Physics, Office of Science of the U.S. Department of
Energy [DE-AC02-98CH10886]; Brookhaven Science Associates, LLC
FX The author is grateful to U.S. Nuclear Data Program members and Dr. V.
Unferth (Viterbo University) for productive discussions and careful
reading of the manuscript and useful suggestions, respectively. This
work was funded by the Office of Nuclear Physics, Office of Science of
the U.S. Department of Energy, under Contract No. DE-AC02-98CH10886 with
Brookhaven Science Associates, LLC.
NR 16
TC 2
Z9 2
U1 1
U2 8
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0138-9130
EI 1588-2861
J9 SCIENTOMETRICS
JI Scientometrics
PD JAN
PY 2016
VL 106
IS 1
BP 461
EP 468
DI 10.1007/s11192-015-1766-4
PG 8
WC Computer Science, Interdisciplinary Applications; Information Science &
Library Science
SC Computer Science; Information Science & Library Science
GA DA8SG
UT WOS:000368075800026
ER
PT J
AU Atanassova, I
Mills, G
AF Atanassova, Irena
Mills, Gary
TI Biogenic and Anthropogenic Lipid Markers in Sediments from a Marsh
Habitat Associated with the LCP Chemicals Superfund Site in Brunswick,
Georgia, USA
SO WATER AIR AND SOIL POLLUTION
LA English
DT Article
DE Sediments; Lipids; Alkylphenols; Sources; Contaminants
ID POLYCYCLIC AROMATIC-HYDROCARBONS; STABLE-ISOTOPE DELTA-C-13;
ORGANIC-MATTER; PETROLEUM-HYDROCARBONS; MARINE-SEDIMENTS; SURFACE
SEDIMENTS; GAS-CHROMATOGRAPHY; CULTIVATED SOIL; FATTY-ACIDS; INDICATORS
AB Sediment samples from a salt marsh habitat in the vicinity of Linden Chemical Plant (LCP) Superfund site in Brunswick Georgia, USA, were analyzed for the composition of total solvent extracts and sources of lipid compounds. Stable isotope analysis of carbon and nitrogen and gas chromatography-mass spectrometry analysis infer past multiple sources of organic matter (OM) from aquatic and terrestrial origin, e.g., phytoplankton, bacteria, and land plants, as well as anthropogenic contamination. The n-alkane and n-alkanol distributions in the sediment samples were dominated by long-chain homologues maximizing at C-25-C-27 for alkanes (carbon preference index (CPI) similar to 1) and C-32 for nalkanols indicating inputs from higher plants, but also microbial and petroleum-related sources. Fatty acid distribution was characterized by short-chain (< C-18) and branched homologues indicative of bacterial origin. The high abundance of dehydroabietic acid and anthropogenic contaminants, including alkylphenols, are indicative of the effects of past industrial activities in the LCP marsh area in Brunswick, Georgia.
C1 [Atanassova, Irena] N Poushkarov Inst Soil Sci Agrotechnol & Plant Pr, Sofia 1080, Bulgaria.
[Atanassova, Irena; Mills, Gary] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA.
RP Atanassova, I (reprint author), Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA.
EM i.d.atanassova@abv.bg; gmills@srel.uga.edu
FU SREL; Georgia University; Fulbright fellowship of DSc Irena Atanassova
FX We acknowledge the support of SREL, Georgia University and the Fulbright
fellowship of DSc Irena Atanassova.
NR 64
TC 0
Z9 0
U1 2
U2 2
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0049-6979
EI 1573-2932
J9 WATER AIR SOIL POLL
JI Water Air Soil Pollut.
PD JAN
PY 2016
VL 227
IS 1
DI 10.1007/s11270-015-2740-8
PG 13
WC Environmental Sciences; Meteorology & Atmospheric Sciences; Water
Resources
SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences;
Water Resources
GA DA6FN
UT WOS:000367898100042
ER
PT J
AU Stavila, V
Parthasarathi, R
Davi, RW
El Gabaly, F
Sale, KL
Simmons, BA
Singh, S
Allendorf, MD
AF Stavila, Vitalie
Parthasarathi, Ramakrishnan
Davi, Ryan W.
El Gabaly, Farid
Sale, Kenneth L.
Simmons, Blake A.
Singh, Seema
Allendorf, Mark D.
TI MOF-Based Catalysts for Selective Hydrogenolysis of Carbon Oxygen Ether
Bonds
SO ACS CATALYSIS
LA English
DT Article
DE metal-organic frameworks; catalysis; C-O bond cleavage; hydrogenolysis;
aromatic ethers
ID METAL-ORGANIC FRAMEWORKS; ARYL ETHERS; HYDROGENATION; NICKEL;
ADSORPTION; NANOPARTICLES; CONVERSION; CHEMICALS; PORES
AB We demonstrate that metal organic frameworks (MOFs) can catalyze hydrogenolysis of aryl ether bonds under mild conditions. Mg-IRMOF-74(I) and Mg-IRMOF-74(II) are stable under reducing conditions and can cleave phenyl ethers containing beta-O-4, alpha-O-4, and 4-O-5 linkages to the corresponding hydrocarbons and phenols. Reaction occurs at 10 bar H-2 and 120 degrees C without added base. DFT-optimized structures and charge transfer analysis suggest that the MOF orients the substrate near Mg2+ ions on the pore walls. Ti and Ni doping further increase conversions to as high as 82% with 96% selectivity for hydrogenolysis versus ring hydrogenation. Repeated cycling induces no loss of activity, making this a promising route for mild aryl-ether bond scission.
C1 [Stavila, Vitalie; Parthasarathi, Ramakrishnan; Davi, Ryan W.; El Gabaly, Farid; Sale, Kenneth L.; Simmons, Blake A.; Singh, Seema; Allendorf, Mark D.] Sandia Natl Labs, Livermore, CA 94550 USA.
[Parthasarathi, Ramakrishnan; Sale, Kenneth L.; Simmons, Blake A.; Singh, Seema] Joint BioEnergy Inst, Emeryville, CA 94608 USA.
RP Stavila, V (reprint author), Sandia Natl Labs, 7011 East Ave, Livermore, CA 94550 USA.
EM vnstavi@sandia.gov; mdallen@sandia.gov
FU Sandia Laboratory Directed Research and Development Program; U.S.
Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; DOE Joint BioEnergy Institute - U. S. Department of
Energy, Office of Science, Office of Biological and Environmental
Research [DE-AC02-05CH11231]
FX This work was supported by the Sandia 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 the U.S. Department of
Energy's National Nuclear Security Administration under contract
DE-AC04-94AL85000). A portion of this work was funded by the DOE Joint
BioEnergy Institute (http://www.jbei.org) 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.
NR 30
TC 5
Z9 5
U1 28
U2 129
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 2016
VL 6
IS 1
BP 55
EP 59
DI 10.1021/acscatal.5b02061
PG 5
WC Chemistry, Physical
SC Chemistry
GA DA3OK
UT WOS:000367706800006
ER
PT J
AU Sasaki, K
Marinkovic, N
Isaacs, HS
Adzic, RR
AF Sasaki, Kotaro
Marinkovic, Nebojsa
Isaacs, Hugh S.
Adzic, Radoslav R.
TI Synchrotron-Based In Situ Characterization of Carbon-Supported Platinum
and Platinum Mono layer Electrocatalysts
SO ACS CATALYSIS
LA English
DT Article
DE carbon-supported platinum nanoparticles; platinum monolayer catalyst; in
situ X-ray absorption spectroscopy; in situ X-ray diffraction; platinum
oxides; place-exchange process
ID RAY-ABSORPTION SPECTROSCOPY; OXYGEN REDUCTION REACTION; OXIDE-FILM
FORMATION; FUEL-CELLS; MONOLAYER ELECTROCATALYSTS; CATALYSTS;
NANOPARTICLES; STABILITY; GROWTH; DISSOLUTION
AB A detailed understanding of oxidation/dissolution mechanisms of Pt is critical in designing durable catalysts for the oxygen reduction reaction (ORR), but exact mechanisms remain unclear. The present work explores the oxidation/dissolution of Pt and Pt monolayer (ML) electrocatalysts over a wide range of applied potentials using cells that facilitate in situ measurements by combining X-ray absorption spectroscopy (XAS) and X-ray diffraction (XRD) measurements. The X-ray absorption near edge structure (XANES) measurement demonstrated that Pt nanoparticle surfaces were oxidized from metallic Pt to alpha-PtO2-type oxide during the potential sweep from 0.41 to 1.5 V, and the transition state of O or OH adsorption on Pt and the onset of the place exchange process were revealed by the delta mu (Delta mu) method. Only the top layers of Pt nanoparticles were oxidized, while the inner Pt atoms remained intact. At a higher potential over 1.9 V, alpha-PtO2-type surface oxides dissolve due to local acidification caused by the oxygen evolution reaction and carbon corrosion. Pt oxidation of Pt-ML on the Pd nanoparticle electrocatalyst is considerably hampered compared with the Pt/C catalyst, presumably because preferential Pd oxidation proceeds at the defects in Pt MLs up to 0.91 V and through 0 penetrated through the Pt MLs by the place exchange process above 1.11 V.
C1 [Sasaki, Kotaro; Isaacs, Hugh S.; Adzic, Radoslav R.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
[Marinkovic, Nebojsa] Columbia Univ, Chem Engn, New York, NY 10027 USA.
RP Sasaki, K (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
EM ksasaki@bnl.gov
FU US Department of Energy, Office of Basic Energy Science, Material
Science and Engineering Division, Division of Chemical Sciences,
Geosciences and Biosciences Division [DE-SC0012704]; Synchrotron
Catalysis Consortium, U.S. Department of Energy [DE-SC0012335]
FX This research was performed at Brookhaven National laboratory under
contract DE-SC0012704 with the US Department of Energy, Office of Basic
Energy Science, Material Science and Engineering Division, Division of
Chemical Sciences, Geosciences and Biosciences Division. Beamlines X18A,
X18B, and X19A at the NSLS, as well as BL 2-2 at the SSRL were supported
in part by the Synchrotron Catalysis Consortium, U.S. Department of
Energy Grant No DE-SC0012335.
NR 41
TC 8
Z9 8
U1 18
U2 79
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 2016
VL 6
IS 1
BP 69
EP 76
DI 10.1021/acscatal.5b01862
PG 8
WC Chemistry, Physical
SC Chemistry
GA DA3OK
UT WOS:000367706800008
ER
PT J
AU Johnson, GR
Bell, AT
AF Johnson, Gregory R.
Bell, Alexis T.
TI Role of ZrO2 in Promoting the Activity and Selectivity of Co-Based
Fischer-Tropsch Synthesis Catalysts
SO ACS CATALYSIS
LA English
DT Article
DE Fischer-Tropsch synthesis; heterogeneous catalysis; cobalt; zirconium;
promotion
ID SUPPORTED COBALT CATALYSTS; TEMPERATURE-PROGRAMMED REDUCTION;
ZIRCONIA-MODIFIED ALUMINA; CO/GAMMA-AL2O3 CATALYSTS; CO/SIO2;
PERFORMANCE; WATER; H-2; HYDROGENATION; KINETICS
AB The effects of Zr promotion on the structure and performance of Co-based Fischer-Tropsch synthesis (FTS) catalysts were investigated. Inclusion of Zr in the catalysts was found to increase the FTS turnover frequency and the selectivity to C5+ hydrocarbons and to decrease the selectivity to methane under most operating conditions. These improvements to the catalytic performance are a function of Zr loading up to an atomic ratio of Zr/Co = 1.0, above which the product selectivity is insensitive to higher concentrations of the promoter. Characterization of the Co nanoparticles by different methods demonstrated that the optimal Zr loading corresponds to half monolayer coverage of the Co surface by the promoter. Measurements of the rate of FTS at different pressures and temperatures established that the kinetics data for both the Zr-promoted and unpromoted catalysts are described by a two-parameter Langmuir-Hinshelwood expression. The parameters used to fit this rate law to the experimental data indicate that the apparent rate coefficient and the CO adsorption constant for the Zr-promoted catalysts are higher than those for the unpromoted catalyst. Elemental mapping by means of STEM-EDS provided evidence that Zr is highly dispersed over the catalyst surface and has limited preference for association with the Co nanoparticles. In situ X-ray absorption spectroscopy confirmed the absence of mixing between the Zr and Co in the nanoparticles. These results suggest that Zr exists as a partial layer of ZrO2 on the surface of the Co metal nanoparticles. Accordingly, it is proposed that Zr promotion effects originate from sites of enhanced activity at the interface between Co and ZrO2. The possibility that ZrO2 acts as a Lewis acid to assist in CO dissociation as well as to increase the ratio of CO to H adsorbed on the catalyst surface is discussed.
C1 [Johnson, Gregory R.; Bell, Alexis T.] Univ Calif Berkeley, Dept Biomol & Chem Engn, Berkeley, CA 94720 USA.
[Bell, Alexis T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Bell, AT (reprint author), Univ Calif Berkeley, Dept Biomol & Chem Engn, Berkeley, CA 94720 USA.
EM bell@cchem.berkeley.edu
RI BM, MRCAT/G-7576-2011
FU BP through the XC2 catalysis program; 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]; Office of Science, Office of
Basic Energy Sciences, of the U.S. Department of Energy
[DE-AC02-05CH11231]; DOE Office of Science [DE-AC02-06CH11357];
Northwestern University; E.I. DuPont de Nemours Co.; The Dow Chemical
Company; Department of Energy; MRCAT member institutions
FX The funding for this study was provided by BP through the XC2
catalysis program and 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. Work at the Molecular Foundry was supported by the
Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy under Contract No. DE-AC02-05CH11231. 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. Portions of this work were performed at the
DuPont-Northwestern-Dow Collaborative Access Team (DND-CAT) located at
Sector 5 of the Advanced Photon Source (APS). DND-CAT is supported by
Northwestern University, E.I. DuPont de Nemours & Co., and The Dow
Chemical Company. MRCAT operations are supported by the Department of
Energy and the MRCAT member institutions. The authors would like to
thank Dr. Konstantinos Goulas for his assistance with the XAS
experiments.
NR 53
TC 7
Z9 7
U1 15
U2 64
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 2016
VL 6
IS 1
BP 100
EP 114
DI 10.1021/acscatal.5b02205
PG 15
WC Chemistry, Physical
SC Chemistry
GA DA3OK
UT WOS:000367706800012
ER
PT J
AU Lum, Y
Kwon, Y
Lobaccaro, P
Chen, L
Clark, EL
Bell, AT
Ager, JW
AF Lum, Yanwei
Kwon, Youngkook
Lobaccaro, Peter
Chen, Le
Clark, Ezra Lee
Bell, Alexis T.
Ager, Joel W.
TI Trace Levels of Copper in Carbon Materials Show Significant
Electrochemical CO2 Reduction Activity
SO ACS CATALYSIS
LA English
DT Article
DE CO2 electroreduction; Faradaic efficiency; electrocatalytic activity;
graphene oxide; carbon nanotubes
ID HYDROGEN EVOLUTION REACTION; SUPPORTED CU NANOPARTICLES; METALLIC
IMPURITIES; DIOXIDE REDUCTION; HYDROCARBON FUELS; ELECTRODES; NANOTUBES;
CATALYSTS; ELECTROREDUCTION; SURFACES
AB Carbon materials are frequently used as supports for electrocatalysts because they are conductive and have high surface area. However, recent studies have shown that these materials can contain significant levels of metallic impurities that can dramatically alter their electrochemical properties. Here, the electrocatalytic activity of pure graphite (PG), graphene oxide (GO), and carbon nanotubes (CNT) dispersed on glassy carbon (GC) are investigated for the electrochemical CO2 reduction reaction (CO2RR) in aqueous solution. It was observed that GO and CNT dispersed on GC all exhibit significant electrochemical activity that can be ascribed to impurities of Ni, Fe, Mn, and Cu. The level of Cu in GO can be particularly high and is the cause for the appearance of methane in the products produced over this material when it is used for the CO2RR. Washing these supports in ultrapure nitric acid is effective in removing the metal impurities and results in a reduction in the electrochemical activity of these forms of carbon. In particular, for GO, nearly all of the catalytically relevant metals can be removed. Electrochemical deposition of Cu on GO and PG supported on GC, and on GC itself, increased both the electrochemical activity of these materials and the production of methane via the CO2RR Particularly high rates of methane formation per unit of Cu mass were obtained for Cu electrodeposited on GO and PG supported on GC. We suggest that this high activity may be due to the preferential deposition of Cu onto defects present in the graphene sheets comprising these materials.
C1 [Lum, Yanwei; Kwon, Youngkook; Lobaccaro, Peter; Chen, Le; Clark, Ezra Lee; Bell, Alexis T.; Ager, Joel W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
[Lum, Yanwei; Kwon, Youngkook; Lobaccaro, Peter; Chen, Le; Clark, Ezra Lee; Ager, Joel W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Bell, Alexis T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Lum, Yanwei; Ager, Joel W.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Lobaccaro, Peter; Clark, Ezra Lee; Bell, Alexis T.] Univ Calif Berkeley, Dept Biomol & Chem Engn, Berkeley, CA 94720 USA.
RP Bell, AT (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
EM alexbell@berkeley.edu; jwager@lbl.gov
FU Office of Science of the U.S. Department of Energy [DE-SC0004993];
California Energy Commission [500-11-023]; A*STAR National Science
Scholarship
FX This material is based upon work performed 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. The design, construction, and operation of
the electrochemical cell were supported by the California Energy
Commission under agreement 500-11-023. Y.L. acknowledges the support of
an A*STAR National Science Scholarship. We thank Li Yang from Berkeley
Lab Earth Sciences Division for technical assistance with the ICP-MS
analysis.
NR 37
TC 8
Z9 8
U1 45
U2 183
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 2016
VL 6
IS 1
BP 202
EP 209
DI 10.1021/acscatal.5b02399
PG 8
WC Chemistry, Physical
SC Chemistry
GA DA3OK
UT WOS:000367706800023
ER
PT J
AU Wang, CY
Garbarino, G
Allard, LF
Wilson, F
Busca, G
Flytzani-Stephanopoulos, M
AF Wang, Chongyang
Garbarino, Gabriella
Allard, Lawrence F.
Wilson, Faith
Busca, Guido
Flytzani-Stephanopoulos, Maria
TI Low-Temperature Dehydrogenation of Ethanol on Atomically Dispersed Gold
Supported on ZnZrOx
SO ACS CATALYSIS
LA English
DT Article
DE ethanol dehydrogenation; acetone; acetaldehyde; gold catalysts;
zirconia; zinc oxide
ID WATER-GAS SHIFT; METAL-OXIDE SURFACES; SELECTIVE OXIDATION;
HYDROGEN-PRODUCTION; CATALYTIC DECOMPOSITION; THERMODYNAMIC ANALYSIS;
REACTION-MECHANISM; COPPER-CATALYSTS; MIXED OXIDES; ZINC-OXIDE
AB Atomically dispersed gold supported on nanoscale ZnZrOx composite oxides was prepared and investigated in this work as a catalyst for the low-temperature ethanol dehydrogenation reactions. The composite ZnZrOx support disperses gold atomically and stabilizes it against growth much better than either of the neat oxides. Sequential ethanol conversion reactions to acetaldehyde and acetone take place on the Au/ZnZrOx catalysts within well-separated temperature windows over the range of tested temperatures (30-400 degrees C). ZnO modulates the acidity of the ZrO2 surface, and the extent of this was followed by isopropanol temperature-programmed desorption with online mass spectrometry (IPA-TPD/MS; and by diffuse reflectance UV-Vis-IR). Catalyst activity and selectivity were tested by temperature-programmed surface reaction (TPSR) and under steady-state reaction conditions. The work has demonstrated that ZnZrOx with optimized ZnO distribution preserves the active Au-O-x surface species under reaction conditions and suppresses undesired dehydration reactions. Addition of gold on the bare zirconia support passivates the acid sites catalyzing ethanol dehydration and introduces desired dehydrogenation sites at low temperatures (similar to 200 degrees C).
C1 [Wang, Chongyang; Garbarino, Gabriella; Wilson, Faith; Flytzani-Stephanopoulos, Maria] Tufts Univ, Dept Chem & Biol Engn, Medford, MA 02155 USA.
[Garbarino, Gabriella; Busca, Guido] Univ Genoa, Dept Civil Chem & Environm Engn DICCA, I-16129 Genoa, Italy.
[Allard, Lawrence F.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
RP Flytzani-Stephanopoulos, M (reprint author), Tufts Univ, Dept Chem & Biol Engn, 4 Colby St, Medford, MA 02155 USA.
EM mflytzan@tufts.edu
RI Garbarino, Gabriella/B-7976-2015
OI Garbarino, Gabriella/0000-0002-5590-6155
FU U.S. Department of Energy [DE-FG02-05ER15730]; University of Genoa; U.S.
Department of Energy, Office of Energy Efficiency and Renewable Energy,
Vehicle Technologies Office, Propulsion Materials Program
FX We acknowledge the financial support of this work by the U.S. Department
of Energy under Grant No. DE-FG02-05ER15730. C.W. thanks Dr. Y. Zhang
and Dr. C. Settens at the Center for Material Science and Engineering of
MIT; and Dr. H. Lin at the Center for Nanoscale Systems of Harvard
University for their assistance with sample characterization. G.G.
acknowledges the University of Genoa for financial support to conduct
research at Tufts University. Aberration-corrected electron microscopy
research at Oak Ridge National Laboratory was sponsored by the U.S.
Department of Energy, Office of Energy Efficiency and Renewable Energy,
Vehicle Technologies Office, Propulsion Materials Program.
NR 62
TC 5
Z9 5
U1 32
U2 87
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 2016
VL 6
IS 1
BP 210
EP 218
DI 10.1021/acscatal.5b01593
PG 9
WC Chemistry, Physical
SC Chemistry
GA DA3OK
UT WOS:000367706800024
ER
PT J
AU Mei, DH
Dagle, VL
Xing, R
Albrecht, KO
Dagle, RA
AF Mei, Donghai
Dagle, Vanessa Lebarbier
Xing, Rong
Albrecht, Karl O.
Dagle, Robert A.
TI Steam Reforming of Ethylene Glycol over MgAl2O4 Supported Rh, Ni, and Co
Catalysts
SO ACS CATALYSIS
LA English
DT Article
DE ethylene glycol; steam reforming; density functional theory; cobalt;
rhodium; nickel
ID DENSITY-FUNCTIONAL THEORY; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE
METHOD; HYDROGEN-PRODUCTION; WATER DISSOCIATION; PLATINUM CATALYSTS; IR
CATALYSTS; BASIS-SET; SURFACES; REACTIVITY
AB Steam reforming of ethylene glycol (EG) over Mg,Al2O4 supported metal (15 wt % Ni, 5 wt % Rh, and IS wt % Co) catalysts was investigated using combined experimental and theoretical methods. Compared to highly active Rh and Ni catalysts with 100% conversion, the steam reforming activity of EG over the Co catalyst is comparatively lower with only 42% conversion under the same reaction conditions (500 degrees C, 1 atm, 119 000 h(-1), S/C = 3.3 mol). However, CH4 selectivity over the Co catalyst is remarkably lower. For example, by varying the gas hour space velocity (GHSV) such that complete conversion is achieved for all the catalysts, CH4 selectivity for the Co catalyst is only 8%, which is much lower than the equilibrium CH4 selectivity of similar to 24% obtained for both the Rh and Ni catalysts. Further studies show that varying H2O concentration over the Co catalyst has a negligible effect on activity, thus indicating zero-order dependence on H2O. These experimental results suggest that the supported Co catalyst is a promising EG steam reforming catalyst for high hydrogen production. To gain mechanistic insight for rationalizing the lower CH4 selectivity observed for the Co catalyst, the initial decomposition reaction steps of ethylene glycol via C-O, O-H, C-H, and C-C bond scissions on the Rh(111), Ni(111), and Co(0001) surfaces were investigated using density functional theory (DFT) calculations. Despite the fact that the bond scission sequence in the EG decomposition on the three metal surfaces varies, which leads to different reaction intermediates, the lower CH4 selectivity over the Co catalyst, as compared to the Rh and Ni catalysts, is primarily due to the higher barrier for CH4 formation. The higher S/C ratio enhances the Co catalyst stability, which can be elucidated by the facile water dissociation and an alternative reaction path to remove the CH species as a coking precursor via the HCOH formation.
C1 [Mei, Donghai] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Inst Integrated Catalysis, Richland, WA 99352 USA.
[Dagle, Vanessa Lebarbier; Xing, Rong; Albrecht, Karl O.; Dagle, Robert A.] Pacific NW Natl Lab, Energy & Environm Directorate, Inst Integrated Catalysis, Richland, WA 99352 USA.
RP Mei, DH (reprint author), Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Inst Integrated Catalysis, Richland, WA 99352 USA.
EM donghai.mei@pnnl.gov; robert.dagle@pnnl.gov
RI Mei, Donghai/A-2115-2012; Mei, Donghai/D-3251-2011
OI Mei, Donghai/0000-0002-0286-4182;
FU United States Department of Energy (DOE)'s Bioenergy Technologies Office
(BETO); Department of Energy's Office of Biological and Environmental
Research; Office of Science of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX This work was financially supported by the United States Department of
Energy (DOE)'s Bioenergy Technologies Office (BETO) and performed at the
Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram
national laboratory operated for DOE by Battelle Memorial Institute.
Computing time and advanced catalyst characterization use was granted by
a user proposal at the William R. Wiley Environmental Molecular Sciences
Laboratory (EMSL). EMSL is a national scientific user facility sponsored
by the Department of Energy's Office of Biological and Environmental
Research and located at PNNL. 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 51
TC 6
Z9 6
U1 8
U2 43
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 2016
VL 6
IS 1
BP 315
EP 325
DI 10.1021/acscatal.5b01666
PG 11
WC Chemistry, Physical
SC Chemistry
GA DA3OK
UT WOS:000367706800035
ER
PT J
AU Nguyen-Phan, TD
Luo, S
Voychok, D
Llorca, J
Graciani, J
Sanz, JF
Sallis, S
Xu, WQ
Bai, JM
Piper, LFJ
Polyansky, DE
Fujita, E
Senanayake, SD
Stacchiola, DJ
Rodriguez, JA
AF Thuy-Duong Nguyen-Phan
Luo, Si
Voychok, Dimitriy
Llorca, Jordi
Graciani, Jesus
Fernandez Sanz, Javier
Sallis, Shawn
Xu, Wenqian
Bai, Jianming
Piper, Louis F. J.
Polyansky, Dmitry E.
Fujita, Etsuko
Senanayake, Sanjaya D.
Stacchiola, Dario J.
Rodriguez, Jose A.
TI Visible Light-Driven H-2 Production over Highly Dispersed Ruthenia on
Rutile TiO2 Nanorods
SO ACS CATALYSIS
LA English
DT Article
DE titanium; ruthenium; H-2 production; water splitting; heterojunction
ID TITANIUM-DIOXIDE NANOMATERIALS; PHOTOCATALYTIC OXIDATION;
CATALYTIC-PROPERTIES; HYDROGEN-PRODUCTION; PHASE-TRANSITION;
RAMAN-SPECTRA; METAL-OXIDE; RUO2; NANOPARTICLES; SURFACES
AB The immobilization of miniscule quantities of RuO2 (similar to 0.1%) onto one-dimensional (ID) TiO2 nanorods (NRs) allows H-2 evolution from water under visible light irradiation. Rod-like rutile TiO2 structures, exposing preferentially (110) surfaces, are shown to be critical for the deposition of RuO2 to enable photocatalytic activity in the visible region. The superior performance is rationalized on the basis of fundamental experimental studies and theoretical calculations, demonstrating that RuO2(110) grown as ID nanowires on rutile TiO2(110), which occurs only at extremely low loads of RuO2, leads to the formation of a heterointerface that efficiently adsorbs visible light. The surface defects, band gap narrowing, visible photoresponse, and favorable upward band bending at the heterointerface drastically facilitate the transfer and separation of photogenerated charge carriers.
C1 [Thuy-Duong Nguyen-Phan; Luo, Si; Voychok, Dimitriy; Polyansky, Dmitry E.; Fujita, Etsuko; Senanayake, Sanjaya D.; Stacchiola, Dario J.; Rodriguez, Jose A.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
[Bai, Jianming] Brookhaven Natl Lab, Photon Sci Div, Upton, NY 11973 USA.
[Luo, Si; Voychok, Dimitriy; Rodriguez, Jose A.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11790 USA.
[Llorca, Jordi] Univ Politecn Cataluna, Inst Energy Technol, E-08028 Barcelona, Spain.
[Llorca, Jordi] Univ Politecn Cataluna, Ctr Res NanoEngn, E-08028 Barcelona, Spain.
[Graciani, Jesus; Fernandez Sanz, Javier] Univ Seville, Dept Phys Chem, E-41012 Seville, Spain.
[Sallis, Shawn; Piper, Louis F. J.] SUNY Binghamton, Mat Sci & Engn, Binghamton, NY 13902 USA.
[Xu, Wenqian] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA.
RP Rodriguez, JA (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
EM djs@bnl.gov; rodrigez@bnl.gov
RI Stacchiola, Dario/B-1918-2009; Polyansky, Dmitry/C-1993-2009; Piper,
Louis/C-2960-2011; COST, CM1104/I-8057-2015; Nguyen Phan, Thuy
Duong/C-8751-2014; Senanayake, Sanjaya/D-4769-2009
OI Stacchiola, Dario/0000-0001-5494-3205; Polyansky,
Dmitry/0000-0002-0824-2296; Piper, Louis/0000-0002-3421-3210;
Senanayake, Sanjaya/0000-0003-3991-4232
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences; Catalysis Science Program [DE-SC0012704]; Ministerio de
Economia y Competitividad, Spain [CTQ2015-64669-P]; EU COST [CM1104]; EU
FEDER; S3IP; Analytical and Diagnostics Laboratory at Binghamton
University
FX The research was performed at Brookhaven National Laboratory, supported
by the U.S. Department of Energy, Office of Science, Office of Basic
Energy Sciences, and Catalysis Science Program under contract No.
DE-SC0012704. This work used resources of the Center for Functional
Nanomaterials (CFN) and Advanced Photon Science - Argonne National
Laboratory (APS-ANL), which are DOE Office of Science User Facilities.
Dr. Viet Hung Pham (CFN) is acknowledged for Raman analysis. J.L. is
Serra Hunter Fellow and is grateful to ENE2014-61715-EXP and ICREA
Academia program. J. Graciani is grateful to the Ministerio de Economia
y Competitividad, Spain (grant CTQ2015-64669-P), EU COST CM1104, and EU
FEDER, for funding the theoretical calculations of this work.
Computational resources for these calculations were provided by the
Barcelona Supercomputing Center/Centro Nacional de Supercomputacion
(Spain). S.S. and L.F.J.P. acknowledge support from the S3IP and
Analytical and Diagnostics Laboratory at Binghamton University.
NR 51
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Z9 9
U1 16
U2 66
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 2016
VL 6
IS 1
BP 407
EP 417
DI 10.1021/acscatal.5b02318
PG 11
WC Chemistry, Physical
SC Chemistry
GA DA3OK
UT WOS:000367706800045
ER
PT J
AU Yan, LS
Pu, YQ
Bowden, M
Ragauskas, AJ
Yang, B
AF Yan, Lishi
Pu, Yunqiao
Bowden, Mark
Ragauskas, Arthur J.
Yang, Bin
TI Physiochemical Characterization of Lignocellulosic Biomass Dissolution
by Flowthrough Pretreatment
SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING
LA English
DT Article
DE Flowthrough pretreatment; Poplar wood; Cellulose; Hemicellulose; Lignin;
Enzymatic hydrolysis; Depolymerization; Decrystallization
ID CORN STOVER; SODIUM-HYDROXIDE; X-RAY; HYDROLYSIS; WATER; CELLULOSE;
LIGNIN; XYLAN; ACID; DIFFRACTION
AB Comprehensive understanding of biomass solubilization chemistry in aqueous pretreatment such as water-only and dilute acid flowthrough pretreatment is of fundamental importance to achieve the goal of valorizing biomass to fermentable sugars and lignin for biofuels production. In this study, poplar wood was flow-through pretreated by water-only or 0.05% (w/w) sulfuric acid at different temperatures (220-270 degrees C), flow rate (25 mL/min), and reaction times (8-90 min), resulting in significant disruption of the lignocellulosic biomass. Ion chromatography (IC), Fourier transform infrared (FTIR) spectroscopy, X-ray diffraction (XRD) analysis, and solid state cross-polarization/magic angle spinning (CP/MAS) C-13 nuclear magnetic resonance (NMR) spectroscopy were applied to characterize the pretreated biomass whole slurries in order to reveal depolymerization as well as solubilization mechanism and identify unique dissolution structural features during these pretreatments. Results showed temperature-dependent cellulose decrystallization in flowthrough pretreatment. Crystalline cellulose was completely disrupted, and mostly converted amorphous cellulose and oligomers by water-only operation at 270 degrees C for 10 mm and by 0.05 wt % H2SO4 flowthrough pretreatment at 220 degrees C for 12 min. Flowthrough pretreatment with 0.05% (w/w) H2SO4 led to a greater disruption of structures in pretreated poplar at a lower temperature compared to water-only pretreatment.
C1 [Yan, Lishi; Yang, Bin] Washington State Univ, Dept Biol Syst Engn, Bioprod Sci & Engn Lab, Richland, WA 99354 USA.
[Yan, Lishi] Suzhou Univ Sci & Technol, Sch Chem Biol & Mat Engn, Suzhou 215009, Peoples R China.
[Pu, Yunqiao; Ragauskas, Arthur J.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
[Bowden, Mark] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA.
[Ragauskas, Arthur J.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
[Ragauskas, Arthur J.] Univ Tennessee, Dept Forestry Wildlife & Fisheries, Knoxville, TN 37996 USA.
RP Yang, B (reprint author), Washington State Univ, Dept Biol Syst Engn, Bioprod Sci & Engn Lab, Richland, WA 99354 USA.
EM binyang@tricity.wsu.edu
RI Pu, Yunqiao/H-3206-2016;
OI Pu, Yunqiao/0000-0003-2554-1447; Ragauskas, Arthur/0000-0002-3536-554X;
yang, bin/0000-0003-1686-8800
FU DARPA Young Faculty Award [N66001-11-1-414]; Sun Grant-DOT Award
[T0013G-A-Task 8]; National Science Foundation [1258504]; U.S. DOE-EERE
[DE-EE0006112]; Department of Energy's Office of Biological and
Environmental Research (BER)
FX We are grateful to the DARPA Young Faculty Award No. N66001-11-1-414,
The Sun Grant-DOT Award No. T0013G-A-Task 8, the National Science
Foundation Award No. 1258504, and U.S. DOE-EERE No. DE-EE0006112 for
funding this research. Part of this work was conducted at the William R.
Wiley Environmental Molecular Sciences Laboratory (EMSL), a national
scientific user facility located at the Pacific Northwest National
Laboratory (PNNL) and sponsored by the Department of Energy's Office of
Biological and Environmental Research (BER). We also thank Dr. Hongfei
Wang and Ms. Marie S. Swita for insightful discussions.
NR 31
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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 2016
VL 4
IS 1
BP 219
EP 227
DI 10.1021/acssuschemeng.5b01021
PG 9
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY;
Engineering, Chemical
SC Chemistry; Science & Technology - Other Topics; Engineering
GA DA3OJ
UT WOS:000367706700023
ER
PT J
AU Chen, XW
Wang, W
Ciesielski, P
Trass, O
Park, S
Tao, L
Tucker, MP
AF Chen, Xiaowen
Wang, Wei
Ciesielski, Peter
Trass, Olev
Park, Sunkyu
Tao, Ling
Tucker, Melvin P.
TI Improving Sugar Yields and Reducing Enzyme Loadings in the Deacetylation
and Mechanical Refining (DMR) Process through Multistage Disk and Szego
Refining and Corresponding Techno-Economic Analysis
SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING
LA English
DT Article
DE Deacetylation; Alkaline pretreatment; Mechanical refining; Disk
refining; Szego milling; Ethanol; Sugar; Biorefinery; Techno-economic
analysis
ID CLEAN FRACTIONATION PRETREATMENT; CORN STOVER; ACID PRETREATMENT;
BIOMASS; DIGESTIBILITY; TECHNOLOGIES; HYDROLYSIS; PINE
AB Deacetylation and mechanical refining (DMR) has the potential to be a highly efficient biochemical conversion process for converting biomass to low toxicity, high concentration sugar streams. To increase the cost-effectiveness of the DMR process, improvements in enzymatic sugar yields are needed, in addition to reducing the refining energy consumed, and decreasing the enzyme usage. In this study, a second refining step utilizing a Szego mill was introduced, resulting in significant improvements in sugar yields in enzymatic hydrolysis at equivalent or lower refining energy inputs. The multistage DMR process increased the monomeric glucose and xylose yields to approximately 90% and 84%, respectively, with an energy consumption of 200 kWh/ODMT. SEM imaging revealed that Szego milling caused significant surface disruption and severe maceration and delamination of the biomass structure. Our results show that the DMR process is a very promising process for the biorefinery industry in terms of economic feasibility.
C1 [Chen, Xiaowen; Tao, Ling; Tucker, Melvin P.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA.
[Wang, Wei; Ciesielski, Peter] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA.
[Trass, Olev] Univ Toronto, Dept Chem Engn & Appl Chem, Toronto, ON M5S 3E5, Canada.
[Park, Sunkyu] N Carolina State Univ, Dept Forest Biomat, Raleigh, NC 27695 USA.
RP Chen, XW (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM Xiaowen.Chen@nrel.gov; Melvin.Tucker@nrel.gov
FU USA DOE's Bioenergy Technology Office
FX We greatly appreciate the funding support from USA DOE's Bioenergy
Technology Office.
NR 30
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U1 6
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 2016
VL 4
IS 1
BP 324
EP 333
DI 10.1021/acssuschemeng.5b01242
PG 10
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY;
Engineering, Chemical
SC Chemistry; Science & Technology - Other Topics; Engineering
GA DA3OJ
UT WOS:000367706700035
ER
PT J
AU Heitman, KN
Dahlgren, FS
Drexler, NA
Massung, RF
Behravesh, CB
AF Heitman, Kristen Nichols
Dahlgren, F. Scott
Drexler, Naomi A.
Massung, Robert F.
Behravesh, Casey Barton
TI Increasing Incidence of Ehrlichiosis in the United States: A Summary of
National Surveillance of Ehrlichia chaffeensis and Ehrlichia ewingii
Infections in the United States, 2008-2012
SO AMERICAN JOURNAL OF TROPICAL MEDICINE AND HYGIENE
LA English
DT Article
ID MOUNTAIN-SPOTTED-FEVER; HEALTH-CARE PROVIDERS; HUMAN MONOCYTIC
EHRLICHIOSIS; WHITE-TAILED DEER; TRANSPLANT RECIPIENT; GRANULOCYTIC
EHRLICHIOSIS; AMBLYOMMA-AMERICANUM; EMERGING PATHOGEN; CHILDREN;
DOXYCYCLINE
AB Human ehrlichiosis is a potentially fatal disease caused by Ehrlichia chaffeensis and Ehrlichia ewingii. Cases of ehrlichiosis are reported to Centers for Disease Control and Prevention through two national surveillance systems: Nationally Notifiable Diseases Surveillance System (NNDSS) and Case Report Forms. During 2008-2012, 4,613 cases of E. chaffeensis infections were reported through NNDSS. The incidence rate (IR) was 3.2 cases per million person-years (PYs). The hospitalization rate (HR) was 57% and the case fatality rate (CFR) was 1%. Children aged < 5 years had the highest CFR of 4%. During 2008-2012, 55 cases of E. ewingii infection were reported through NNDSS. The national IR was 0.04 cases per million PY. The HR was 77%; no deaths were reported. Immunosuppressive conditions were reported by 26% of cases. The overall rate for ehrlichiosis has increased 4-fold since 2000. Although previous literature suggests E. ewingii primarily affects those who are immunocompromised, this report shows most cases occurred among immunocompetent patients. This is the first report to show children aged < 5 years with ehrlichiosis have an increased CFR, relative to older patients. Ongoing surveillance and reporting of tick-borne diseases are critical to inform public health practice and guide disease treatment and prevention efforts.
C1 [Heitman, Kristen Nichols; Dahlgren, F. Scott; Drexler, Naomi A.; Massung, Robert F.; Behravesh, Casey Barton] Ctr Dis Control & Prevent, Rickettsial Zoonoses Branch, Atlanta, GA 30329 USA.
ORISE, Oak Ridge, TN USA.
RP Heitman, KN (reprint author), Ctr Dis Control & Prevent, 1600 Clifton Rd NE,MS A30, Atlanta, GA 30329 USA.
EM wwd7@cdc.gov; iot0@cdc.gov; isj3@cdc.gov; rfm2@cdc.gov; dlx9@cdc.gov
NR 48
TC 3
Z9 3
U1 2
U2 6
PU AMER SOC TROP MED & HYGIENE
PI MCLEAN
PA 8000 WESTPARK DR, STE 130, MCLEAN, VA 22101 USA
SN 0002-9637
EI 1476-1645
J9 AM J TROP MED HYG
JI Am. J. Trop. Med. Hyg.
PD JAN
PY 2016
VL 94
IS 1
BP 52
EP 60
DI 10.4269/ajtmh.15-0540
PG 9
WC Public, Environmental & Occupational Health; Tropical Medicine
SC Public, Environmental & Occupational Health; Tropical Medicine
GA DA3NX
UT WOS:000367705500009
ER
PT J
AU Kim, JS
Hwang, JS
Kim, ES
Kim, BJ
Oh, CH
AF Kim, Jae Soon
Hwang, Jin-Seok
Kim, Eung Soo
Kim, Byung Jun
Oh, Chang Ho
TI Experimental study on fundamental phenomena in HTGR small break
air-ingress accident
SO ANNALS OF NUCLEAR ENERGY
LA English
DT Article
DE HTGR; Air ingress; Small break; Density gradient driven flow
AB This study experimentally investigates fundamental phenomena in the HTGR small break air-ingress accident. Several important parameters including density ratio, break angle, break size, and main flow velocity are considered in the measurement and the analysis. The test-section is made of a circular pipe with small holes drilled around the surface and it is installed in the helium/air flow circulation loop. Oxygen concentrations and flow rates are recorded during the tests with fixed break angles, break sizes, and flow velocities for measurement of the air-ingress rates. According to the experimental results, the higher density difference leads to the higher rates of air-ingress with large sensitivity of the break angles. It is also found that the break angle significantly affects the air-ingress rates, which is gradually increased from 0 degrees to 120 degrees and suddenly decreased to 180 degrees. The minimum air ingress rate is found at 00 and the maximum, at 110 degrees. The air-ingress rate increases with the break size due to the increased flow-exchange area. However, it is not directly proportional to the break area due to the complexity of the phenomena. The increased flow velocity in the channel inside enhances the air-ingress process. However, among all the parameters, the main flow velocity exhibits the lowest effect on this process. In this study, the Froude Number relevant to the small break air-ingress conditions are newly defined considering both heavy and light fluids, and break angles. Based on this definition, the experimental data can be well rearranged and collected. Finally, this study develops and proposes a non-dimensional parameter and a criteria for determination of the small break air-ingress flow regimes. As a result, the non-dimensional parameter higher than 0.49 indicates that the air-ingress is mainly controlled by density gradient effect. On the other hand, that lower than 0.47 indicates that the other effects such as inertia or diffusion are dominant air-ingress mechanisms. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Kim, Jae Soon; Hwang, Jin-Seok; Kim, Eung Soo] Seoul Natl Univ, Dept Nucl Engn, Seoul 151742, South Korea.
[Kim, Byung Jun] Korea Inst Ind Technol, Busan 618230, South Korea.
[Oh, Chang Ho] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Kim, ES (reprint author), Seoul Natl Univ, Dept Nucl Engn, Seoul 151742, South Korea.
EM kes7741@snu.ac.kr
FU Nuclear Safety Research Program through the Korea Radiation Safety
Foundation (KORSAFe); Nuclear Safety and Security Commission (NSSC),
Republic of Korea [1403005]; National Research Foundation of Korea (NRF)
Grant - Ministry of Science, ICT & Future Planning (MSIP)
[0666-20150009]
FX This work was supported by the Nuclear Safety Research Program through
the Korea Radiation Safety Foundation (KORSAFe) and the Nuclear Safety
and Security Commission (NSSC), Republic of Korea (Grant No. 1403005).
This work was also supported by the National Research Foundation of
Korea (NRF) Grant funded by the Ministry of Science, ICT & Future
Planning (MSIP) (No. 0666-20150009).
NR 14
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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 2016
VL 87
BP 145
EP 156
DI 10.1016/j.anucene.2015.08.012
PN 2
PG 12
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA DA3LE
UT WOS:000367697800017
ER
PT J
AU Gauld, IC
Giaquinto, JM
Delashmitt, JS
Hu, J
Ilas, G
Haverlock, TJ
Romano, C
AF Gauld, I. C.
Giaquinto, J. M.
Delashmitt, J. S.
Hu, J.
Ilas, G.
Haverlock, T. J.
Romano, C.
TI Re-evaluation of spent nuclear fuel assay data for the Three Mile Island
unit 1 reactor and application to code validation
SO ANNALS OF NUCLEAR ENERGY
LA English
DT Article
DE Three Mile Island unit 1 reactor; Spent fuel radiochemical analysis;
Inductively coupled plasma mass spectrometry with isotopic dilution;
Isotopic assay benchmark data; SCALE nuclear systems modeling and
simulation code
ID SCALE; CAPABILITIES; TECHNOLOGY; DEPLETION; SCIENCE
AB Destructive radiochemical assay measurements of spent nuclear fuel rod segments from an assembly irradiated in the Three Mile Island unit 1 (TMI-1) pressurized water reactor have been performed at Oak Ridge National Laboratory (ORNL). Assay data are reported for five samples from two fuel rods of the same assembly. The TMI-1 assembly was a 15 x 15 design with an initial enrichment of 4.013 wt% U-235, and the measured samples achieved burnups between 45.5 and 54.5 gigawatt days per metric ton of initial uranium (GWd/t). Measurements were performed mainly using inductively coupled plasma mass spectrometry after elemental separation via high performance liquid chromatography. High precision measurements were achieved using isotope dilution techniques for many of the lanthanides, uranium, and plutonium isotopes. Measurements are reported for more than 50 different isotopes and 16 elements. One of the two TMI-1 fuel rods measured in this work had been measured previously by Argonne National Laboratory (ANL); and these data have been widely used to support code and nuclear data validation. The recent measurements performed by ORNL provided an important opportunity to independently cross check results against previous measurements performed at ANL. These measurements serve to improve confidence in the data, to verify reported uncertainties, and to investigate previous anomalies noted in the plutonium measurements. The measured nuclide concentrations are used to validate burnup calculations using the SCALE nuclear systems modeling and simulation code suite. These results show that the new measurements provide reliable benchmark data for computer code validation. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Gauld, I. C.; Giaquinto, J. M.; Delashmitt, J. S.; Hu, J.; Ilas, G.; Haverlock, T. J.; Romano, C.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Gauld, IC (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA.
EM gauldi@ornl.gov
OI Gauld, Ian/0000-0002-3893-7515; Ilas, Germina/0000-0003-4222-6393
FU U.S. Department of Energy, Office of Defense Nuclear Nonproliferation RD
(NA-22) [DE-AC05-00OR22725]; U.S. Department of Energy, Office of
Nonproliferation and Arms Control (NA-24) [DE-AC05-00OR22725]
FX This work was supported by the U.S. Department of Energy, Office of
Defense Nuclear Nonproliferation R&D (NA-22) and Office of
Nonproliferation and Arms Control (NA-24) under contract No.
DE-AC05-00OR22725. Acquisition of the spent fuel rod sections from ANL
that were used in this work was coordinated under previous activities of
the Office of Civilian Radioactive Waste Management, Yucca Mountain
Project.
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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 2016
VL 87
BP 267
EP 281
DI 10.1016/j.anucene.2015.08.026
PN 2
PG 15
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA DA3LE
UT WOS:000367697800030
ER
PT J
AU Reichenberger, MA
Unruh, TC
Ugorowski, PB
Ito, T
Roberts, JA
Stevenson, SR
Nichols, DM
McGregor, DS
AF Reichenberger, Michael A.
Unruh, Troy C.
Ugorowski, Philip B.
Ito, Takashi
Roberts, Jeremy A.
Stevenson, Sarah R.
Nichols, Daniel M.
McGregor, Douglas S.
TI Micro-Pocket Fission Detectors (MPFDs) for in-core neutron detection
SO ANNALS OF NUCLEAR ENERGY
LA English
DT Article
DE Reactor instrumentation; Fission chamber; Neutron detector; Micro-Pocket
Fission Detectors
AB Neutron sensors capable of real-time measurement of neutrons in high-flux environments are necessary for tests aimed at demonstrating the performance of experimental nuclear reactor fuels and materials in material test reactors (MTRs). In-core Micro-Pocket Fission Detectors (MPFDs) have been studied at Kansas State University for many years. Previous MPFD prototypes were successfully built and tested with promising results. Efforts are now underway to develop advanced MPFDs with radiation-resistant, high-temperature materials capable of withstanding irradiation test conditions in high performance material and test reactors. Stackable MPFDs have been designed, built, and successfully demonstrated as in-core neutron sensors. Advances in the electrodeposition and measurement of neutron reactive material, along with refinements to composition optimization simulations, have enhanced the capabilities of contemporary MPFDs. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Reichenberger, Michael A.; Ugorowski, Philip B.; Roberts, Jeremy A.; Stevenson, Sarah R.; Nichols, Daniel M.; McGregor, Douglas S.] Kansas State Univ, Mech & Nucl Engn Dept, SMART Lab, Manhattan, KS 66506 USA.
[Unruh, Troy C.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
[Ito, Takashi] Kansas State Univ, Dept Chem, Manhattan, KS 66506 USA.
RP Reichenberger, MA (reprint author), Kansas State Univ, Mech & Nucl Engn Dept, SMART Lab, Manhattan, KS 66506 USA.
RI Ito, Takashi/A-4193-2008;
OI Ito, Takashi/0000-0001-7443-3157; Reichenberger,
Michael/0000-0001-8749-4645
FU US Department of Energy Office of Nuclear Energy under DOE-NE Idaho
Operations Office Contract [DE-AC07 05ID14517]; US Department of Energy
Office of Nuclear Energy [DE-NE0008305]
FX Portions of this work were supported by the US Department of Energy
Office of Nuclear Energy under DOE-NE Idaho Operations Office Contract
DE-AC07 05ID14517 & US Department of Energy Office of Nuclear Energy
under DE-NE0008305. The authors thank Dr. Amy Betz and the Kansas State
University Multiphase Microfluidics Laboratory for use of equipment and
assistance in machining shadow masks for this work.
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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 2016
VL 87
BP 318
EP 323
DI 10.1016/j.anucene.2015.08.022
PN 2
PG 6
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA DA3LE
UT WOS:000367697800035
ER
PT J
AU Zou, L
Zhao, HH
Zhang, HB
AF Zou, Ling
Zhao, Haihua
Zhang, Hongbin
TI Numerical implementation, verification and validation of two-phase flow
four-equation drift flux model with Jacobian-free Newton-Krylov method
SO ANNALS OF NUCLEAR ENERGY
LA English
DT Article
DE Drift flux model; Jacobian-free Newton-Krylov method; Verification;
Validation
ID 8 X 8; EQUATIONS; TASS/SMR; SYSTEMS; SCHEME; SMART
AB This paper presents a numerical investigation on using the Jacobian-free Newton-Krylov (JENK) method to solve the two-phase flow four-equation drift flux model with realistic constitutive correlations ('closure models'). The drift flux model is based on Isshi and his collaborators' work. Additional constitutive correlations for vertical channel flow, such as two-phase flow pressure drop, flow regime map, wall boiling and interfacial heat transfer models, were taken from the RELAP5-3D Code Manual and included to complete the model. The staggered grid finite volume method and fully implicit backward Euler method was used for the spatial discretization and time integration schemes, respectively. The Jacobian-free Newton-Krylov method shows no difficulty in solving the two-phase flow drift flux model with a discrete flow regime map. In addition to the Jacobian-free approach, the preconditioning matrix is obtained by using the default finite differencing method provided in the PETSc package, and consequently the labor-intensive implementation of complex analytical Jacobian matrix is avoided. Extensive and successful numerical verification and validation have been performed to prove the correct implementation of the models and methods. Code-to-code comparison with RELAP5-3D has further demonstrated the successful implementation of the drift flux model. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Zou, Ling; Zhao, Haihua; Zhang, Hongbin] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Zou, L (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA.
EM ling.zou@inl.gov
RI Zou, Ling/D-7577-2016
OI Zou, Ling/0000-0003-0664-0474
FU United States (U.S.) Department of Energy under Department of Energy
Idaho Operations Office [DE-AC07-05ID14517]
FX This work is supported by the United States (U.S.) Department of Energy,
under Department of Energy Idaho Operations Office Contract
DE-AC07-05ID14517. Accordingly, the U.S. Government retains a
nonexclusive, royalty-free license to publish or reproduce the published
form of this contribution, or allow others to do so, for U.S. Government
purposes.
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PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0306-4549
J9 ANN NUCL ENERGY
JI Ann. Nucl. Energy
PD JAN
PY 2016
VL 87
BP 707
EP 719
DI 10.1016/j.anucene.2015.07.033
PN 2
PG 13
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA DA3LE
UT WOS:000367697800075
ER
PT J
AU Goorley, T
James, M
Booth, T
Brown, F
Bull, J
Cox, LJ
Durkee, J
Elson, J
Fensin, M
Forster, RA
Hendricks, J
Hughes, HG
Johns, R
Kiedrowski, B
Martz, R
Mashnik, S
McKinney, G
Pelowitz, D
Prael, R
Sweezy, J
Waters, L
Wilcox, T
Zukaitis, T
AF Goorley, T.
James, M.
Booth, T.
Brown, F.
Bull, J.
Cox, L. J.
Durkee, J.
Elson, J.
Fensin, M.
Forster, R. A.
Hendricks, J.
Hughes, H. G.
Johns, R.
Kiedrowski, B.
Martz, R.
Mashnik, S.
McKinney, G.
Pelowitz, D.
Prael, R.
Sweezy, J.
Waters, L.
Wilcox, T.
Zukaitis, T.
TI Features of MCNP6
SO ANNALS OF NUCLEAR ENERGY
LA English
DT Article
DE Monte Carlo; Particle transport; MCNP; MCNP6
ID INTRANUCLEAR CASCADE CALCULATION; NUCLEAR-DATA; VERIFICATION;
ENDF/B-VII.0; TECHNOLOGY; SCIENCE; YIELDS; MODEL
AB MCNP6 can be described as the merger of MCNP5 and MCNPX capabilities, but it is much more than the sum of these two computer codes. MCNP6 is the result of six years of effort by the MCNP5 and MCNPX code development teams. These groups of people, residing in Los Alamos National Laboratory's X Computational Physics Division, Monte Carlo Codes Group (XCP-3) and Nuclear Engineering and Nonproliferation Division, Radiation Transport Modeling Team (NEN-5) respectively, have combined their code development efforts to produce the next evolution of MCNP. While maintenance and major bug fixes will continue for MCNP5 1.60 and MCNPX 2.7.0 for upcoming years, new code development capabilities only will be developed and released in MCNP6. In fact, the initial release of MCNP6 contains numerous new features not previously found in either code. These new features are summarized in this document. Packaged with MCNP6 is also the new production release of the ENDF/B-VII.1 nuclear data files usable by MCNP. The high quality of the overall merged code, usefulness of these new features, along with the desire in the user community to start using the merged code, have led us to make the first MCNP6 production release: MCNP6 version 1. High confidence in the MCNP6 code is based on its performance with the verification and validation test suites, comparisons to its predecessor codes, our automated nightly software debugger tests, the underlying high quality nuclear and atomic databases, and significant testing by many beta testers. (C) 2015 Published by Elsevier Ltd.
C1 [Goorley, T.; Brown, F.; Bull, J.; Cox, L. J.; Forster, R. A.; Hughes, H. G.; Kiedrowski, B.; Martz, R.; Mashnik, S.; Prael, R.; Sweezy, J.; Zukaitis, T.] Los Alamos Natl Lab, Grp XCP 3, Los Alamos, NM 87545 USA.
[James, M.; Durkee, J.; Elson, J.; Fensin, M.; Hendricks, J.; Johns, R.; McKinney, G.; Pelowitz, D.; Waters, L.; Wilcox, T.] Los Alamos Natl Lab, Grp NEN 5, Los Alamos, NM 87545 USA.
[Booth, T.] Los Alamos Natl Lab, Grp XCP 7, Los Alamos, NM 87545 USA.
RP Hughes, HG (reprint author), Los Alamos Natl Lab, Grp XCP 3, MS A143, Los Alamos, NM 87545 USA.
EM hgh@lanl.gov
FU US Department of Energy's National Nuclear Security
Administration-Advanced Simulation and Computing (NNSA-ASC); Nuclear
Criticality Safety Program (NCSP); Department of Defense; Department of
Homeland Security
FX MCNP development over the last ten years has been supported by funding
from the US Department of Energy's National Nuclear Security
Administration-Advanced Simulation and Computing (NNSA-ASC), Nuclear
Criticality Safety Program (NCSP), Department of Defense, and Department
of Homeland Security. We thank these sponsors.
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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 2016
VL 87
BP 772
EP 783
DI 10.1016/j.anucene.2015.02.020
PN 2
PG 12
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA DA3LE
UT WOS:000367697800081
ER
PT J
AU Hall, J
Aalseth, CE
Bonicalzi, RM
Brandenberger, JM
Day, AR
Humble, PH
Mace, EK
Panisko, ME
Seifert, A
AF Hall, Jeter
Aalseth, Craig E.
Bonicalzi, Ricco M.
Brandenberger, Jill M.
Day, Anthony R.
Humble, Paul H.
Mace, Emily K.
Panisko, Mark E.
Seifert, Allen
TI Ar-39/Ar measurements using ultra-low background proportional counters
SO APPLIED RADIATION AND ISOTOPES
LA English
DT Article
DE Water age-dating; Ar-39; Low level couning
ID COUNTING SYSTEM; ARGON
AB Age-dating groundwater and seawater using the Ar-39/Ar ratio is an important tool to understand water mass-flow rates and mean residence time. Low-background proportional counters developed at Pacific Northwest National Laboratory use mixtures of argon and methane as counting gas. We demonstrate sensitivity to Ar-39 by comparing geological (ancient) argon recovered from a carbon dioxide gas well and commercial argon. The demonstrated sensitivity to the Ar-39/Ar ratio is sufficient to date water masses as old as 1000 years. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Hall, Jeter; Aalseth, Craig E.; Bonicalzi, Ricco M.; Brandenberger, Jill M.; Day, Anthony R.; Humble, Paul H.; Mace, Emily K.; Panisko, Mark E.; Seifert, Allen] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Hall, J (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA.
EM jeter@pnnl.gov
RI Humble, Paul/K-1961-2012
OI Humble, Paul/0000-0002-2632-6557
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0969-8043
J9 APPL RADIAT ISOTOPES
JI Appl. Radiat. Isot.
PD JAN
PY 2016
VL 107
BP 187
EP 190
DI 10.1016/j.apradiso.2015.10.006
PG 4
WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology,
Nuclear Medicine & Medical Imaging
SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine &
Medical Imaging
GA CZ9IC
UT WOS:000367410300031
PM 26516993
ER
PT J
AU Gharibyan, N
Moody, KJ
Tumey, SJ
Brown, TA
Despotopulos, JD
Faye, SA
Roberts, KE
Shaughnessy, DA
AF Gharibyan, N.
Moody, K. J.
Tumey, S. J.
Brown, T. A.
Despotopulos, J. D.
Faye, S. A.
Roberts, K. E.
Shaughnessy, D. A.
TI Production and separation of carrier-free Be-7
SO APPLIED RADIATION AND ISOTOPES
LA English
DT Article
DE Be-7; Carrier-free; CAMS; Ion-exchange; Nuclear forensics
ID BERYLLIUM-7; ATMOSPHERE; RATES
AB A high-purity carrier-free Be-7 was efficiently isolated following proton bombardment of a lithium hydroxide-aluminum target. The separation of beryllium from lithium and aluminum was achieved through a hydrochloric acid elution system utilizing cation exchange chromatography. The beryllium recovery, +99%, was assessed through gamma spectroscopy while the chemical purity was established by mass spectrometry. The decontamination factors of beryllium from lithium and aluminum were determined to be 6900 and 300, respectively. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Gharibyan, N.; Moody, K. J.; Despotopulos, J. D.; Roberts, K. E.; Shaughnessy, D. A.] Lawrence Livermore Natl Lab, Nucl & Chem Sci Div, Livermore, CA 94551 USA.
[Tumey, S. J.; Brown, T. A.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94551 USA.
[Faye, S. A.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA.
RP Gharibyan, N (reprint author), Lawrence Livermore Natl Lab, Nucl & Chem Sci Div, 7000 East Ave L-236, Livermore, CA 94551 USA.
EM gharibyan1@llnl.gov
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; Nuclear Science and Security Consortium through the
Department of Energy National Nuclear Security Administration
[DE-NA0000979]
FX The authors would like to acknowledge Jason Burke for help with the
target chamber assembly and design, Rachel Lindvall for the
mass-spectrometry measurements and Phil Torretto and Todd Wooddy for
support of the Nuclear Counting Facility. This work was performed under
the auspices of the U.S. Department of Energy by Lawrence Livermore
National Laboratory under Contract DE-AC52-07NA27344 and supported in
part by the Nuclear Science and Security Consortium through the
Department of Energy National Nuclear Security Administration under
Award no. DE-NA0000979.
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0969-8043
J9 APPL RADIAT ISOTOPES
JI Appl. Radiat. Isot.
PD JAN
PY 2016
VL 107
BP 199
EP 202
DI 10.1016/j.apradiso.2015.10.028
PG 4
WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology,
Nuclear Medicine & Medical Imaging
SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine &
Medical Imaging
GA CZ9IC
UT WOS:000367410300034
PM 26524406
ER
PT J
AU Adam, J
Chilap, VV
Furman, VI
Kadykov, MG
Khushvaktov, J
Pronskikh, VS
Solnyshkin, AA
Stegailov, VI
Suchopar, M
Tsoupko-Sitnikov, VM
Tyutyunnikov, SI
Vrzalova, J
Wagner, V
Zavorka, L
AF Adam, J.
Chilap, V. V.
Furman, V. I.
Kadykov, M. G.
Khushvaktov, J.
Pronskikh, V. S.
Solnyshkin, A. A.
Stegailov, V. I.
Suchopar, M.
Tsoupko-Sitnikov, V. M.
Tyutyunnikov, S. I.
Vrzalova, J.
Wagner, V.
Zavorka, L.
TI Study of secondary neutron interactions with Th-232, I-129, and I-127
nuclei with the uranium assembly "QUINTA" at 2, 4, and 8 GeV deuteron
beams of the JINR Nuclotron accelerator
SO APPLIED RADIATION AND ISOTOPES
LA English
DT Article
DE Transmutation; Fission reactions; Accelerator driven system
ID REACTION-RATES; TRANSMUTATION; SPECTRUM; PU-238; NP-237; TARGET; GAMMA
AB The natural uranium assembly, "QUINTA", was irradiated with 2, 4, and 8 GeV deuterons. The Th-232, I-127, and I-129 samples have been exposed to secondary neutrons produced in the assembly at a 20-cm radial distance from the deuteron beam axis. The spectra of gamma rays emitted by the activated Th-232, I-127, and I-129 samples have been analyzed and several tens of product nuclei have been identified. For each of those products, neutron-induced reaction rates have been determined. The transmutation power for the I-129 samples is estimated. Experimental results were compared to those calculated with well-known stochastic and deterministic codes. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Adam, J.; Furman, V. I.; Kadykov, M. G.; Khushvaktov, J.; Pronskikh, V. S.; Solnyshkin, A. A.; Stegailov, V. I.; Tsoupko-Sitnikov, V. M.; Tyutyunnikov, S. I.; Vrzalova, J.; Zavorka, L.] Joint Inst Nucl Res, Dubna, Russia.
[Adam, J.; Suchopar, M.; Wagner, V.] Nucl Phys Inst ASCR PRI, Prague, Czech Republic.
[Chilap, V. V.] Ctr Phys & Tech Projects Atomenergomash, Moscow, Russia.
[Pronskikh, V. S.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Khushvaktov, J (reprint author), Joint Inst Nucl Res, Dubna, Russia.
EM khushvaktov@jinr.ru
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0969-8043
J9 APPL RADIAT ISOTOPES
JI Appl. Radiat. Isot.
PD JAN
PY 2016
VL 107
BP 225
EP 233
DI 10.1016/j.apradiso.2015.11.002
PG 9
WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology,
Nuclear Medicine & Medical Imaging
SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine &
Medical Imaging
GA CZ9IC
UT WOS:000367410300039
PM 26556554
ER
PT J
AU Rim, D
Gall, ET
Maddalena, RL
Nazaroff, WW
AF Rim, Donghyun
Gall, Elliott T.
Maddalena, Randy L.
Nazaroff, William W.
TI Ozone reaction with interior building materials: Influence of diurnal
ozone variation, temperature and humidity
SO ATMOSPHERIC ENVIRONMENT
LA English
DT Article
DE Deposition velocity; Reaction probability; Exposure; Surface aging;
Regeneration
ID INDOOR AIR; DEPOSITION VELOCITIES; REACTION PROBABILITIES; SECONDARY
EMISSIONS; ORGANIC-COMPOUNDS; OUTDOOR OZONE; DECAY-RATES; REMOVAL;
CHEMISTRY; PRODUCTS
AB Elevated tropospheric ozone concentrations are associated with increased morbidity and mortality. Indoor ozone chemistry affects human exposure to ozone and reaction products that also may adversely affect health and comfort. Reactive uptake of ozone has been characterized for many building materials; however, scant information is available on how diurnal variation of ambient ozone influences ozone reaction with indoor surfaces. The primary objective of this study is to investigate ozone-surface reactions in response to a diurnally varying ozone exposure for three common building materials: ceiling tile, painted drywall, and carpet tile. A secondary objective is to examine the effects of air temperature and humidity. A third goal is to explore how conditioning of materials in an occupied office building might influence subsequent ozone-surface reactions. Experiments were performed at bench-scale with inlet ozone concentrations varied to simulate daytime (ozone elevated) and nighttime (ozone-free in these experiments) periods. To simulate office conditions, experiments were conducted at two temperatures (22 degrees C and 28 degrees C) and three relative humidity values (25%, 50%, 75%). Effects of indoor surface exposures were examined by placing material samples in an occupied office and repeating bench-scale characterization after exposure periods of 1 and 2 months. Deposition velocities were observed to be highest during the initial hour of ozone exposure with slow decrease in the subsequent hours of simulated daytime conditions. Daily-average ozone reaction probabilities for fresh materials are in the respective ranges of (1.7-2.7) x 10(-5), (2.8-4.7) x 10(-5), and (3.0-4.5) x 10(-5) for ceiling tile, painted drywall, and carpet tile. The reaction probability decreases by 7%-47% across the three test materials after two 8-h periods of ozone exposure. Measurements with the samples from an occupied office reveal that deposition velocity can decrease or increase with time. Influence of temperature and humidity on ozone-surface reactivity was not strong. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Rim, Donghyun] Penn State Univ, Architectural Engn Dept, University Pk, PA 16802 USA.
[Gall, Elliott T.] Nanyang Technol Univ, Singapore 138602, Singapore.
[Gall, Elliott T.] Berkeley Educ Alliance Res Singapore, Singapore 138602, Singapore.
[Gall, Elliott T.] Portland State Univ, Dept Mech & Mat Engn, Portland, OR 97207 USA.
[Maddalena, Randy L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Indoor Environm Dept, Berkeley, CA 94720 USA.
[Nazaroff, William W.] Univ Calif Berkeley, Civil & Environm Engn Dept, Berkeley, CA 94720 USA.
RP Rim, D (reprint author), Penn State Univ, Engn Unit A 104, University Pk, PA 16802 USA.
EM drim@psu.edu
OI Gall, Elliott/0000-0003-1351-0547
FU Republic of Singapore's National Research Foundation
FX This research was funded by the Republic of Singapore's National
Research Foundation through a grant to the Berkeley Education Alliance
for Research in Singapore (BEARS) for the Singapore-Berkeley Building
Efficiency and Sustainability in the Tropics (SinBerBEST) Program. BEARS
has been established by the University of California, Berkeley as a
center for intellectual excellence in research and education in
Singapore.
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 1352-2310
EI 1873-2844
J9 ATMOS ENVIRON
JI Atmos. Environ.
PD JAN
PY 2016
VL 125
BP 15
EP 23
DI 10.1016/j.atmosenv.2015.10.093
PN A
PG 9
WC Environmental Sciences; Meteorology & Atmospheric Sciences
SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences
GA DA2OU
UT WOS:000367636500003
ER
PT J
AU Annesley, T
Diamandis, E
Bachmann, L
Hanash, S
Hart, B
Javahery, R
Singh, R
Smith, R
AF Annesley, Thomas
Diamandis, Eleftherios
Bachmann, Lorin
Hanash, Samir
Hart, Bradley
Javahery, Reza
Singh, Ravinder
Smith, Richard
TI A Spectrum of Views on Clinical Mass Spectrometry
SO CLINICAL CHEMISTRY
LA English
DT Editorial Material
C1 [Annesley, Thomas] Univ Michigan Hlth Syst, Dept Pathol, Ann Arbor, MI USA.
[Diamandis, Eleftherios] Univ Toronto, Dept Lab Med & Pathobiol, Toronto, ON, Canada.
[Bachmann, Lorin] Virginia Commonwealth Univ Hlth Syst, Clin Chem, Richmond, VA USA.
[Hanash, Samir] Univ Texas MD Anderson Canc Ctr, Canc Prevent, Houston, TX 77030 USA.
[Hart, Bradley] Thermo Fisher Sci, LSMS Translat Res IVD Toxicol, Chromatog & Mass Spectrometry Div, Waltham, MA USA.
[Javahery, Reza] Ionis Mass Spectrometry, Bolton, ON, Canada.
[Singh, Ravinder] Mayo Clin, Mayo Clin Endocrine Lab, Rochester, MN USA.
[Smith, Richard] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
[Smith, Richard] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA.
RP Annesley, T (reprint author), Univ Hosp Rm 2G332,1500 East Med Ctr Dr, Ann Arbor, MI 48109 USA.
EM annesley@umich.edu
FU NCI NIH HHS [P30 CA016672]
NR 0
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PU AMER ASSOC CLINICAL CHEMISTRY
PI WASHINGTON
PA 2101 L STREET NW, SUITE 202, WASHINGTON, DC 20037-1526 USA
SN 0009-9147
EI 1530-8561
J9 CLIN CHEM
JI Clin. Chem.
PD JAN
PY 2016
VL 62
IS 1
BP 30
EP 36
DI 10.1373/clinchem.2015.250258
PG 7
WC Medical Laboratory Technology
SC Medical Laboratory Technology
GA DA3NC
UT WOS:000367703400008
PM 26553793
ER
PT J
AU Hoofnagle, AN
Whiteaker, JR
Carr, SA
Kuhn, E
Liu, T
Massoni, SA
Thomas, SN
Townsend, RR
Zimmerman, LJ
Boja, E
Chen, J
Crimmins, DL
Davies, SR
Gao, YG
Hiltke, TR
Ketchum, KA
Kinsinger, CR
Mesri, M
Meyer, MR
Qian, WJ
Schoenherr, RM
Scott, MG
Shi, TJ
Whiteley, GR
Wrobel, JA
Wu, CC
Ackermann, BL
Aebersold, R
Barnidge, DR
Bunk, DM
Clarke, N
Fishman, JB
Grant, RP
Kusebauch, U
Kushnir, MM
Lowenthal, MS
Moritz, RL
Neubert, H
Patterson, SD
Rockwood, AL
Rogers, J
Singh, RJ
Van Eyk, JE
Wong, SH
Zhang, SC
Chan, DW
Chen, X
Ellis, MJ
Liebler, DC
Rodland, KD
Rodriguez, H
Smith, RD
Zhang, Z
Zhang, H
Paulovich, AG
AF Hoofnagle, Andrew N.
Whiteaker, Jeffrey R.
Carr, Steven A.
Kuhn, Eric
Liu, Tao
Massoni, Sam A.
Thomas, Stefani N.
Townsend, R. Reid
Zimmerman, Lisa J.
Boja, Emily
Chen, Jing
Crimmins, Daniel L.
Davies, Sherri R.
Gao, Yugian
Hiltke, Tara R.
Ketchum, Karen A.
Kinsinger, Christopher R.
Mesri, Mehdi
Meyer, Matthew R.
Qian, Wei-Jun
Schoenherr, Regine M.
Scott, Mitchell G.
Shi, Tujin
Whiteley, Gordon R.
Wrobel, John A.
Wu, Chaochao
Ackermann, Brad L.
Aebersold, Ruedi
Barnidge, David R.
Bunk, David M.
Clarke, Nigel
Fishman, Jordan B.
Grant, Russ P.
Kusebauch, Ulrike
Kushnir, Mark M.
Lowenthal, Mark S.
Moritz, Robert L.
Neubert, Hendrik
Patterson, Scott D.
Rockwood, Alan L.
Rogers, John
Singh, Ravinder J.
Van Eyk, Jennifer E.
Wong, Steven H.
Zhang, Shucha
Chan, Daniel W.
Chen, Xian
Ellis, Matthew J.
Liebler, Daniel C.
Rodland, Karin D.
Rodriguez, Henry
Smith, Richard D.
Zhang, Zhen
Zhang, Hui
Paulovich, Amanda G.
TI Recommendations for the Generation, Quantification, Storage, and
Handling of Peptides Used for Mass Spectrometry-Based Assays
SO CLINICAL CHEMISTRY
LA English
DT Article
ID AMINO-ACID-ANALYSIS; PERFORMANCE LIQUID-CHROMATOGRAPHY; PROTEIN
QUANTIFICATION; ISOTOPE-DILUTION; QUANTITATIVE BIOANALYSIS; PROTEOTYPIC
PEPTIDES; INTERNAL STANDARD; LC-MS/MS; PROTEOMICS; PREDICTION
AB BACKGROUND: For many years, basic and clinical researchers have taken advantage of the analytical sensitivity and specificity afforded by mass spectrometry in the measurement of proteins. Clinical laboratories are now beginning to deploy these work flows as well. For assays that use proteolysis to generate peptides for protein quantification and characterization, synthetic stable isotope labeled internal standard peptides are of central importance. No general recommendations are currently available surrounding the use of peptides in protein mass spectrometric assays.
CONTENT: The Clinical Proteomic Tumor Analysis Consortium of the National Cancer Institute has collaborated with clinical laboratorians, peptide manufacturers, metrologists, representatives of the pharmaceutical industry, and other professionals to develop a consensus set of recommendations for peptide procurement, characterization, storage, and handling, as well as approaches to the interpretation of the data generated by mass spectrometric protein assays. Additionally, the importance of carefully characterized reference materials in particular, peptide standards for the improved concordance of amino acid analysis methods across the industry is highlighted. The alignment of practices around the use of peptides and the transparency of sample preparation protocols should allow for the harmonization of peptide and protein quantification in research and clinical care. (C) 2015 American Association for Clinical Chemistry
C1 [Hoofnagle, Andrew N.] Univ Washington, Seattle, WA 98115 USA.
[Whiteaker, Jeffrey R.; Schoenherr, Regine M.; Paulovich, Amanda G.] Fred Hutchinson Canc Res Ctr, Seattle, WA 98109 USA.
[Carr, Steven A.; Kuhn, Eric] Broad Inst, Cambridge, MA USA.
[Liu, Tao; Gao, Yugian; Qian, Wei-Jun; Shi, Tujin; Wu, Chaochao; Rodland, Karin D.; Smith, Richard D.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Massoni, Sam A.] New England Peptide Inc, Gardner, MA USA.
[Thomas, Stefani N.; Zhang, Zhen; Zhang, Hui] Johns Hopkins Univ, Baltimore, MD USA.
[Townsend, R. Reid; Crimmins, Daniel L.; Davies, Sherri R.; Meyer, Matthew R.; Scott, Mitchell G.] Washington Univ, St Louis, MO USA.
[Zimmerman, Lisa J.; Liebler, Daniel C.] Vanderbilt Univ, Nashville, TN 37235 USA.
[Boja, Emily; Hiltke, Tara R.; Mesri, Mehdi; Rodriguez, Henry] NCI, Bethesda, MD 20892 USA.
[Ketchum, Karen A.] ESAC Inc, Rockville, MD USA.
[Whiteley, Gordon R.] Frederick Natl Lab Canc Res, Frederick, MD USA.
[Wrobel, John A.] Univ N Carolina, Sch Med, Chapel Hill, NC USA.
[Ackermann, Brad L.] Eli Lilly & Co, Indianapolis, IN 46285 USA.
[Aebersold, Ruedi] Swiss Fed Inst Technol, Inst Mol Syst Biol, Zurich, Switzerland.
[Barnidge, David R.] Mayo Clin, Coll Med, Rochester, MN USA.
[Bunk, David M.; Lowenthal, Mark S.] NIST, Gaithersburg, MD 20899 USA.
[Clarke, Nigel] Quest Diagnost, San Juan Capistrano, CA USA.
[Fishman, Jordan B.] 21st Century Biochem Inc, Marlborough, MA USA.
[Grant, Russ P.] Lab Corp Amer Holdings Inc, Burlington, NC USA.
[Moritz, Robert L.] Inst Syst Biol, Seattle, WA USA.
[Kushnir, Mark M.; Rockwood, Alan L.] Univ Utah, Salt Lake City, UT USA.
[Kushnir, Mark M.; Rockwood, Alan L.] ARUP Labs, Salt Lake City, UT USA.
[Neubert, Hendrik] Pfizer Inc, Andover, MA USA.
[Patterson, Scott D.] Gilead Sci Inc, Foster City, CA USA.
[Rogers, John] Thermo Fisher Sci, Rockford, IL USA.
[Van Eyk, Jennifer E.] Cedars Sinai Med Ctr, Los Angeles, CA 90048 USA.
[Wong, Steven H.] Wake Forest Sch Med, Winston Salem, NC USA.
[Zhang, Shucha] Enanta Pharmaceut, Watertown, MA USA.
[Ellis, Matthew J.] Baylor Coll Med, Houston, TX 77030 USA.
RP Hoofnagle, AN (reprint author), Univ Washington, Box 357110, Seattle, WA 98115 USA.
EM ahoof@u.washington.edu; apaulovi@fhcrc.org
RI Smith, Richard/J-3664-2012
OI Smith, Richard/0000-0002-2381-2349
FU Waters Inc.; Thermo Inc.; NIDDK [U01DK085689]; NCI [U24CA115102]; NIGMS
[P50GM076547, R01GM087221]; NCI CPTAC [U24CA160034, U24CA160019,
U24CA160036, U24CA160035, U24CA159988]
FX A.N. Hoofnagle, Waters Inc. and Thermo Inc.; J.E. Van Eyk, NIDDK
(U01DK085689); D.W. Chan, NCI (U24CA115102); R.L. Moritz, NIGMS
(P50GM076547 and R01GM087221); S.A. Carr (PI), A.N. Hoofnagle, E. Kuhn,
A.G. Paulovich (PI), and R.M. Schoenherr, NCI CPTAC (U24CA160034); Y.
Gao, T. Liu, W-J. Qian, K.D. Rodland (PI), T. Shi, R.D. Smith (PI), and
C. Wu, NCI CPTAC (U24CA160019); D.W. Chan (PI), J. Chen, S.N. Thomas, H.
Zhang (PI), and Z. Zhang (PI), NCI CPTAC (U24CA160036); X. Chen (PI),
D.L. Crimmins, S.R. Davies, M.J. Ellis (PI), M.R. Meyer, KG. Scott, and
R.R. Townsend (PI), NCI CPTAC (U24CA160035); D.C. Liebler (PI) and L.J.
Zimmerman, NCI CPTAC (U24CA159988).
NR 76
TC 16
Z9 16
U1 10
U2 30
PU AMER ASSOC CLINICAL CHEMISTRY
PI WASHINGTON
PA 2101 L STREET NW, SUITE 202, WASHINGTON, DC 20037-1526 USA
SN 0009-9147
EI 1530-8561
J9 CLIN CHEM
JI Clin. Chem.
PD JAN
PY 2016
VL 62
IS 1
BP 48
EP 69
DI 10.1373/clinchem.2015.250563
PG 22
WC Medical Laboratory Technology
SC Medical Laboratory Technology
GA DA3NC
UT WOS:000367703400013
PM 26719571
ER
PT J
AU Jacobs, AC
Fair, JM
AF Jacobs, Anne C.
Fair, Jeanne M.
TI Bacteria-killing ability of fresh blood plasma compared to frozen blood
plasma
SO COMPARATIVE BIOCHEMISTRY AND PHYSIOLOGY A-MOLECULAR & INTEGRATIVE
PHYSIOLOGY
LA English
DT Article
DE Ecological immunology; Microbicidal ability of blood; Repeatability
ID ECOLOGICAL IMMUNOLOGY; WESTERN BLUEBIRDS; IMMUNE; DISEASE; BIRDS;
RESPONSES; CAPACITY; GROWTH; SYSTEM
AB In recent years, the bacteria-killing assay (BM) has become a popular technique among ecoimmunologists. New variations of that assay allow researchers to use smaller volumes of blood, an important consideration for those working on small-bodied animals. However, this version of the assay requires access to a lab with a nanodrop spectrophotometer, something that may not be available in the field. One possible solution is to freeze plasma for transport; however, this assumes that frozen plasma samples will give comparable results to fresh ones. We tested this assumption using plasma samples from three species of birds: chickens (Gallus gallus), ashthroated flycatchers (Myiarchus cinerascens), and western bluebirds (Sialia mexicana). Chicken plasma samples lost most or all of their bacterial killing ability after freezing. This did not happen in flycatchers and bluebirds; however, frozen plasma did not produce results comparable to those obtained using fresh plasma. We caution researchers using the BM to use fresh samples whenever possible, and to validate the use of frozen samples on a species-by-species basis. (c) 2015 Elsevier Inc. All rights reserved.
C1 [Jacobs, Anne C.] Univ Calif Riverside, Dept Biol, Riverside, CA 92521 USA.
[Fair, Jeanne M.] Los Alamos Natl Lab, Global Secur Emerging Threats, Los Alamos, NM 87545 USA.
RP Jacobs, AC (reprint author), Allegheny Coll, Dept Biol, Meadville, PA 16335 USA.
EM ajacobs@allegheny.edu
FU Research Coordination Network in Ecoimmunology; Los Alamos National
Security, LLC of the Los Alamos National Laboratory [DE-AC52-06NA25396];
US Department of Energy
FX We would like to thank C. Hathcock for assistance in the field and S.
Loftin for giving us access to his chickens. We thank Y. Shou, K.
McCabe, and the Bradbury laboratory for assistance with the immune
assays. Training for ACJ was funded by a travel grant from the Research
Coordination Network in Ecoimmunology. This project was funded by Los
Alamos National Security, LLC, operator of the Los Alamos National
Laboratory under Contract No. DE-AC52-06NA25396 with the US Department
of Energy.
NR 26
TC 1
Z9 1
U1 5
U2 13
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1095-6433
EI 1531-4332
J9 COMP BIOCHEM PHYS A
JI Comp. Biochem. Physiol. A-Mol. Integr. Physiol.
PD JAN
PY 2016
VL 191
BP 115
EP 118
DI 10.1016/j.cbpa.2015.10.004
PG 4
WC Biochemistry & Molecular Biology; Physiology; Zoology
SC Biochemistry & Molecular Biology; Physiology; Zoology
GA DA2NN
UT WOS:000367633100015
PM 26456418
ER
PT J
AU Norheim, HK
Capar, J
Einrem, RF
Gagnon, KJ
Beavers, CM
Vazquez-Lima, H
Ghosh, A
AF Norheim, Hans-Kristian
Capar, Jan
Einrem, Rune F.
Gagnon, Kevin J.
Beavers, Christine M.
Vazquez-Lima, Hugo
Ghosh, Abhik
TI Ligand noninnocence in FeNO corroles: insights from
beta-octabromocorrole complexes
SO DALTON TRANSACTIONS
LA English
DT Article
ID COPPER CORROLES; REDUCTIVE DEMETALATION; METAL CENTERS; IRON; CHEMISTRY;
METALLOCORROLES; REACTIVITY; SPECTRA; APPROXIMATION; STRAIGHT
AB The first FeNO octabromocorroles have been synthesized including four beta-octabromo-meso-tris(p-X-phenyl)corrole derivatives Fe[Br(8)TpXPC](NO) (X = CF3, H, CH3, OCH3) and the beta-octabromo-meso-tris-(pentafluorophenyl)corrole complex, Fe[Br8TPFPC](NO). The last complex, which proved amenable to single-crystal X-ray structure determination, exhibits the geometry parameters: Fe N(O) 1.643(8) angstrom, N O 1.158(9) angstrom, and a FeNO angle of 176.4(6)degrees. The more electron-deficient complexes exhibit increased instability with respect to NO loss and also higher infrared NO stretching frequencies (nu(NO)). Interestingly, DFT calculations and IR marker bands indicate a noninnocent {FeNO}(7)-(corrole(center dot 2-)) formulation for all FeNO corroles, both beta-H-8 and beta-Br-8, with essentially the same degree of corrole radical character. Instead, an electron-deficient corrole appears to exert a field effect resulting in reduced Fe-to-NO back-donation, which accounts for both the increased instability with respect to NO loss and the higher nu(NO)'s.
C1 [Norheim, Hans-Kristian; Capar, Jan; Einrem, Rune F.; Vazquez-Lima, Hugo; Ghosh, Abhik] UiT, Dept Chem, N-9037 Tromso, Norway.
[Norheim, Hans-Kristian; Capar, Jan; Einrem, Rune F.; Vazquez-Lima, Hugo; Ghosh, Abhik] UiT, Ctr Theoret & Computat Chem, N-9037 Tromso, Norway.
[Gagnon, Kevin J.; Beavers, Christine M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Vazquez-Lima, H (reprint author), UiT, Dept Chem, N-9037 Tromso, Norway.
EM hugo.vazquez@uit.no; abhik.ghosh@uit.no
RI Ghosh, Abhik/G-8164-2016; Beavers, Christine/C-3539-2009;
OI Ghosh, Abhik/0000-0003-1161-6364; Beavers,
Christine/0000-0001-8653-5513; Norheim,
Hans-Kristian/0000-0002-0774-7196; Einrem, Rune/0000-0002-0763-1994
FU FRINATEK project of Research Council of Norway [231086]; Advanced Light
Source, Berkeley, California; Office of Science, Office of Basic Energy
Sciences, of U.S. Department of Energy [DE-AC02-05CH11231]
FX This work was supported by FRINATEK project 231086 of the Research
Council of Norway (AG) and the Advanced Light Source, Berkeley,
California (CMB, KJG). 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 55
TC 7
Z9 7
U1 4
U2 13
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 2016
VL 45
IS 2
BP 681
EP 689
DI 10.1039/c5dt03947a
PG 9
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA CZ7XD
UT WOS:000367312900035
PM 26619363
ER
PT J
AU Bai, FF
Zhu, L
Liu, YL
Wang, XR
Sun, K
Ma, YW
Patel, M
Farantatos, E
Bhatt, N
AF Bai, Feifei
Zhu, Lin
Liu, Yilu
Wang, Xiaoru
Sun, Kai
Ma, Yiwei
Patel, Mahendra
Farantatos, Evangelos
Bhatt, Navin
TI Design and implementation of a measurement-based adaptive wide-area
damping controller considering time delays
SO ELECTRIC POWER SYSTEMS RESEARCH
LA English
DT Article
DE Adaptive wide-area damping control system; Hardware test-bed; System
identification; Residue; Time delay compensation; Wide-area measurement
system
ID STOCHASTIC SUBSPACE IDENTIFICATION; POWER-SYSTEM; INTERAREA
OSCILLATIONS; SIGNALS; COMMUNICATION; OPTIMIZATION
AB Wide-area measurement systems enable the wide-area damping controller (WADC) to use remote signals to enhance the small signal stability of large scale interconnected power systems. System operating condition variations and signal transmission time delays are the major factors to worsen the damping effect and even deteriorate the system stability. This paper proposes a novel measurement-based adaptive wide-area damping control scheme using oscillation mode prediction and system identification techniques. These techniques adjust the parameters of WADC as well as the time delay compensation in an online environment. To achieve fast online implementation, an identified high order multi-input multi-output (MIMO) model is deformed into a low order single-input single-output (SISO) model according to the residue of MIMO model. The SISO model can accurately represent the power system dynamics in the form of a transfer function, capturing the dominant oscillatory behaviors in the frequency range of interest. Moreover, the WADC has been implemented on a hardware test-bed (HTB) by adding its output signal to the excitation system of a selected generator. The effectiveness of the proposed measurement-based adaptive WADC has been demonstrated in a two-area four-machine system on the HTB under various disturbance scenarios. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Bai, Feifei; Wang, Xiaoru] Southwest Jiaotong Univ, Chengdu, Peoples R China.
[Zhu, Lin; Liu, Yilu; Sun, Kai; Ma, Yiwei] Univ Tennessee, Knoxville, TN 37996 USA.
[Liu, Yilu] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Patel, Mahendra; Farantatos, Evangelos; Bhatt, Navin] Elect Power Res Inst, Palo Alto, CA USA.
RP Zhu, L (reprint author), Univ Tennessee, Knoxville, TN 37996 USA.
EM lzhu12@utk.edu
OI Sun, Kai/0000-0002-0305-2725
FU Electric Power Research Institute; DOE under NSF [EEC1041877]; CURENT
Industry Partnership Program
FX This work is supported by the Electric Power Research Institute and also
makes use of Engineering Research Center Shared Facilities supported by
the DOE under NSF Award Number EEC1041877. Additional support is
provided by the CURENT Industry Partnership Program. The authors
gratefully acknowledge FNET team, Center for ultra-wide-area resilient
electric energy transmission networks (CURENT) in the University of
Tennessee, US Electric Power Research Institute to support this
research.
NR 37
TC 2
Z9 2
U1 2
U2 3
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0378-7796
EI 1873-2046
J9 ELECTR POW SYST RES
JI Electr. Power Syst. Res.
PD JAN
PY 2016
VL 130
BP 1
EP 9
DI 10.1016/j.epsr.2015.08.009
PG 9
WC Engineering, Electrical & Electronic
SC Engineering
GA DA0PB
UT WOS:000367498500001
ER
PT J
AU Porosoff, MD
Yan, BH
Chen, JGG
AF Porosoff, Marc D.
Yan, Binhang
Chen, Jingguang G.
TI Catalytic reduction of CO2 by H-2 for synthesis of CO, methanol and
hydrocarbons: challenges and opportunities
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Article
ID WATER-GAS-SHIFT; CARBON-DIOXIDE HYDROGENATION; FISCHER-TROPSCH
SYNTHESIS; PROMOTED CU/SIO2 CATALYST; ACTIVE-SITE; LIGHT OLEFINS;
ELECTROCHEMICAL REDUCTION; HETEROGENEOUS CATALYSIS; BIMETALLIC
CATALYSTS; REACTION-MECHANISM
AB Ocean acidification and climate change are expected to be two of the most difficult scientific challenges of the 21st century. Converting CO2 into valuable chemicals and fuels is one of the most practical routes for reducing CO2 emissions while fossil fuels continue to dominate the energy sector. Reducing CO2 by H-2 using heterogeneous catalysis has been studied extensively, but there are still significant challenges in developing active, selective and stable catalysts suitable for large-scale commercialization. The catalytic reduction of CO2 by H-2 can lead to the formation of three types of products: CO through the reverse water-gas shift (RWGS) reaction, methanol via selective hydrogenation, and hydrocarbons through combination of CO2 reduction with Fischer-Tropsch (FT) reactions. Investigations into these routes reveal that the stabilization of key reaction intermediates is critically important for controlling catalytic selectivity. Furthermore, viability of these processes is contingent on the development of a CO2-free H-2 source on a large enough scale to significantly reduce CO2 emissions.
C1 [Porosoff, Marc D.; Chen, Jingguang G.] Columbia Univ, Dept Chem Engn, New York, NY 10027 USA.
[Yan, Binhang; Chen, Jingguang G.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
RP Porosoff, MD (reprint author), Columbia Univ, Dept Chem Engn, 500 W 120th St, New York, NY 10027 USA.
EM jgchen@columbia.edu
FU United States Department of Energy [DE-FG02-13ER16381]
FX The work was sponsored by the United States Department of Energy under
Contract No. DE-FG02-13ER16381.
NR 150
TC 37
Z9 39
U1 97
U2 284
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1754-5692
EI 1754-5706
J9 ENERG ENVIRON SCI
JI Energy Environ. Sci.
PY 2016
VL 9
IS 1
BP 62
EP 73
DI 10.1039/c5ee02657a
PG 12
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA DA2KC
UT WOS:000367622700004
ER
PT J
AU Doscher, H
Young, JL
Geisz, JF
Turner, JA
Deutsch, TG
AF Doescher, H.
Young, J. L.
Geisz, J. F.
Turner, J. A.
Deutsch, T. G.
TI Solar-to-hydrogen efficiency: shining light on photoelectrochemical
device performance
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Article
ID WATER; PHOTOLYSIS; CELLS
AB Illumination characteristics from artificial sources strongly influence the experimental performance of solar water-splitting devices, with the highest impact on tandem structures designed for optimum conversion efficiency. We highlight quantitative and qualitative flaws of common characterization techniques, discuss their impact on research results and strategy, and demonstrate approaches toward advanced measurement accuracy.
C1 [Doescher, H.; Young, J. L.; Geisz, J. F.; Turner, J. A.; Deutsch, T. G.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Doescher, H.] Tech Univ Ilmenau, D-98693 Ilmenau, Germany.
[Doescher, H.] Univ Marburg, D-35037 Marburg, Germany.
[Young, J. L.] Univ Colorado, Boulder, CO 80309 USA.
RP Doscher, H (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM henning.doescher@physik.uni-marburg.de; todd.deutsch@nrel.gov
OI Deutsch, Todd/0000-0001-6577-1226
FU EU Marie Curie fellowship (IOF) [300971]; National Science Foundation
Graduate Research Fellowship [DGE1144083]; U.S. Department of Energy
(DOE) [DE-AC36-08GO28308]; National Renewable Energy Laboratory
FX The authors thank Alan Kibbler for operating the epitaxy system. H. D.
appreciates financial support by an EU Marie Curie fellowship (IOF no.
300971). J. Y. acknowledges support by a National Science Foundation
Graduate Research Fellowship (Grant No. DGE1144083). This work was
supported by the U.S. Department of Energy (DOE) under Contract No.
DE-AC36-08GO28308 with the National Renewable Energy Laboratory.
NR 17
TC 14
Z9 14
U1 12
U2 54
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1754-5692
EI 1754-5706
J9 ENERG ENVIRON SCI
JI Energy Environ. Sci.
PY 2016
VL 9
IS 1
BP 74
EP 80
DI 10.1039/c5ee03206g
PG 7
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA DA2KC
UT WOS:000367622700005
ER
PT J
AU Singh, MR
Bell, AT
AF Singh, Meenesh R.
Bell, Alexis T.
TI Design of an artificial photosynthetic system for production of alcohols
in high concentration from CO2
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Article
ID DRIVEN ELECTROCHEMICAL REDUCTION; METASTABLE ZONE WIDTH; CARBON-DIOXIDE;
TERNARY-SYSTEM; PLUS WATER; LIQUID; ELECTROLYTE; MONOXIDE; METHANOL;
ETHANOL
AB Artificial photosynthesis of liquid fuels is a potential source for clean energy. Alcohols are particularly attractive products because of their high energy density and market value per amount of energy input. The major challenges in photo/electrochemical synthesis of alcohols from sunlight, water and CO2 are low product selectivity, high membrane fuel-crossover losses, and high cost of product separation from the electrolyte. Here we propose an artificial photosynthesis scheme for direct synthesis and separation to almost pure ethanol with minimum product crossover using saturated salt electrolytes. The ethanol produced in the saturated salt electrolytes can be readily phase separated into a microemulsion, which can be collected as pure products in a liquid-liquid extractor. A novel design of an integrated artificial photosynthetic system is proposed that continuously produces 490 wt% pure ethanol using a polycrystalline copper cathode at a current density of 0.85 mA cm(-2). The annual production rate of 490 wt% ethanol using such a photosynthesis system operating at 10 mA cm(-2) (12% solar-to-fuel (STF) efficiency) can be 15.27 million gallons per year per square kilometer, which corresponds to 7% of the industrial ethanol production capacity of California.
C1 [Singh, Meenesh R.; Bell, Alexis T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
[Bell, Alexis T.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Sustainable Chem, Berkeley, CA 94720 USA.
RP Singh, MR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
EM alexbell@berkeley.edu
OI Singh, Meenesh/0000-0002-3638-8866
FU Office of Science of the U.S. Department of Energy [DE-SC0004993]
FX This material is based on the work performed 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.
NR 36
TC 2
Z9 2
U1 19
U2 73
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1754-5692
EI 1754-5706
J9 ENERG ENVIRON SCI
JI Energy Environ. Sci.
PY 2016
VL 9
IS 1
BP 193
EP 199
DI 10.1039/c5ee02783g
PG 7
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA DA2KC
UT WOS:000367622700022
ER
PT J
AU Phillips, MB
Leonard, JA
Grulke, CM
Chang, DT
Edwards, SW
Brooks, R
Goldsmith, MR
El-Masri, H
Tan, YM
AF Phillips, Martin B.
Leonard, Jeremy A.
Grulke, Christopher M.
Chang, Daniel T.
Edwards, Stephen W.
Brooks, Raina
Goldsmith, Michael-Rock
El-Masri, Hisham
Tan, Yu-Mei
TI A Workflow to Investigate Exposure and Pharmacokinetic Influences on
High-Throughput in Vitro Chemical Screening Based on Adverse Outcome
Pathways
SO ENVIRONMENTAL HEALTH PERSPECTIVES
LA English
DT Article
ID OCCUPATIONAL-EXPOSURE; DRUG DISCOVERY; TOXICITY; INHIBITION; TOXICOLOGY;
ACETYLCHOLINESTERASE; ECOTOXICOLOGY; APPLICABILITY; CHLORPYRIFOS;
PENTAMIDINE
AB BACKGROUND: Adverse outcome pathways (AOPs) link adverse effects in individuals or populations to a molecular initiating event (MIE) that can be quantified using in vitro methods. Practical application of AOPs in chemical-specific risk assessment requires incorporation of knowledge on exposure, along with absorption, distribution, metabolism, and excretion (ADME) properties of chemicals.
OBJECTIVES: We developed a conceptual workflow to examine exposure and ADME properties in relation to an MIE. The utility of this workflow was evaluated using a previously established AOP, acetylcholinesterase (AChE) inhibition.
METHODS: Thirty chemicals found to inhibit human AChE in the ToxCast (TM) assay were examined with respect to their exposure, absorption potential, and ability to cross the blood-brain barrier (BBB). Structures of active chemicals were compared against structures of 1,029 inactive chemicals to detect possible parent compounds that might have active metabolites.
RESULTS: Application of the workflow screened 10 "low-priority" chemicals of 30 active chemicals. Fifty-two of the 1,029 inactive chemicals exhibited a similarity threshold of >= 75% with their nearest active neighbors. Of these 52 compounds, 30 were excluded due to poor absorption or distribution. The remaining 22 compounds may inhibit AChE in vivo either directly or as a result of metabolic activation.
CONCLUSIONS: The incorporation of exposure and ADME properties into the conceptual workflow eliminated 10 "low-priority" chemicals that may otherwise have undergone additional, resource-consuming analyses. Our workflow also increased confidence in interpretation of in vitro results by identifying possible "false negatives."
C1 [Phillips, Martin B.; Leonard, Jeremy A.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA.
[Grulke, Christopher M.] Lockheed Martin, Res Triangle Pk, NC USA.
[Chang, Daniel T.; Goldsmith, Michael-Rock] Chem Comp Grp Inc, Montreal, PQ, Canada.
[Edwards, Stephen W.; El-Masri, Hisham] US EPA, Natl Hlth & Environm Effects Res Lab, Res Triangle Pk, NC 27711 USA.
[Brooks, Raina] Univ Alabama Birmingham, Dept Epidemiol, Birmingham, AL USA.
[Tan, Yu-Mei] US EPA, Natl Exposure Res Lab, Res Triangle Pk, NC 27711 USA.
RP Tan, YM (reprint author), 109 TW Alexander Dr,Mail Code E205-01, Res Triangle Pk, NC 27709 USA.
EM tan.cecilia@epa.gov
FU Oak Ridge Institute for Science and Education Research Participation
Program at the U.S. EPA
FX M.B.P. and J.A.L. were funded through the Oak Ridge Institute for
Science and Education Research Participation Program at the U.S. EPA.
NR 80
TC 5
Z9 5
U1 3
U2 28
PU US DEPT HEALTH HUMAN SCIENCES PUBLIC HEALTH SCIENCE
PI RES TRIANGLE PK
PA NATL INST HEALTH, NATL INST ENVIRONMENTAL HEALTH SCIENCES, PO BOX 12233,
RES TRIANGLE PK, NC 27709-2233 USA
SN 0091-6765
EI 1552-9924
J9 ENVIRON HEALTH PERSP
JI Environ. Health Perspect.
PD JAN
PY 2016
VL 124
IS 1
BP 53
EP 60
DI 10.1289/ehp.1409450
PG 8
WC Environmental Sciences; Public, Environmental & Occupational Health;
Toxicology
SC Environmental Sciences & Ecology; Public, Environmental & Occupational
Health; Toxicology
GA DA1XQ
UT WOS:000367589600015
PM 25978103
ER
PT J
AU Plaza, DF
Schmieder, SS
Lipzen, A
Lindquist, E
Kunzler, M
AF Plaza, David Fernando
Schmieder, Stefanie Sofia
Lipzen, Anna
Lindquist, Erika
Kuenzler, Markus
TI Identification of a Novel Nematotoxic Protein by Challenging the Model
Mushroom Coprinopsis cinerea with a Fungivorous Nematode
SO G3-GENES GENOMES GENETICS
LA English
DT Article
DE basidiomycete; fungal defense; RNA sequencing; CCTX2; transcriptomics
ID REAL-TIME PCR; COPRINUS-CINEREUS; INNATE IMMUNITY; REFERENCE GENES;
PLANT IMMUNITY; ANTIMICROBIAL PEPTIDES; ASPERGILLUS-NIDULANS; STRUCTURAL
BASIS; EISENIA-ANDREI; HIGHER FUNGI
AB The dung of herbivores, the natural habitat of the model mushroom Coprinopsis cinerea, is a nutrient-rich but also very competitive environment for a saprophytic fungus. We showed previously that C. cinerea expresses constitutive, tissue-specific armories against antagonists such as animal predators and bacterial competitors. In order to dissect the inducible armories against such antagonists, we sequenced the poly(A)-positive transcriptome of C. cinerea vegetative mycelium upon challenge with fungivorous and bacterivorous nematodes, Gram-negative and Gram-positive bacteria and mechanical damage. As a response to the fungivorous nematode Aphelenchus avenae, C. cinerea was found to specifically induce the transcription of several genes encoding previously characterized nematotoxic lectins. In addition, a previously not characterized gene encoding a cytoplasmic protein with several predicted Ricin B-fold domains, was found to be strongly upregulated under this condition. Functional analysis of the recombinant protein revealed a high toxicity toward the bacterivorous nematode Caenorhabditis elegans. Challenge of the mycelium with A. avenae also lead to the induction of several genes encoding putative antibacterial proteins. Some of these genes were also induced upon challenge of the mycelium with the bacteria Escherichia coli and Bacillus subtilis. These results suggest that fungi have the ability to induce specific innate defense responses similar to plants and animals.
C1 [Plaza, David Fernando; Schmieder, Stefanie Sofia; Kuenzler, Markus] ETH, Inst Microbiol, Dept Biol, CH-8093 Zurich, Switzerland.
[Lipzen, Anna; Lindquist, Erika] Joint Genome Inst, Genom Technol, Walnut Creek, CA 94598 USA.
RP Kunzler, M (reprint author), ETH, Inst Microbiol, HCI F413,Vladimirprelog Weg 4, CH-8093 Zurich, Switzerland.
EM mkuenzle@ethz.ch
OI Kunzler, Markus/0000-0003-1275-0629
FU Swiss National Science Foundation [31003A_130671]; Office of Science of
U.S. Department of Energy [DE-AC02-05CH11231]
FX We thank Markus Aebi for his continuing interest, helpful discussions,
and critical reading of the manuscript. This project was supported by
the Swiss National Science Foundation Grant 31003A_130671. Illumina
libraries from C. cinerea Okayama 7 were sequenced as part of the DOE
Joint Genome Institute's Community Sequencing Program 'Functional
genomics in the model mushroom Coprinopsis cinerea'. The work conducted
by the U.S. Department of Energy Joint Genome Institute is supported by
the Office of Science of the U.S. Department of Energy under Contract
No. DE-AC02-05CH11231.
NR 69
TC 0
Z9 0
U1 6
U2 14
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 1
PY 2016
VL 6
IS 1
BP 87
EP 98
DI 10.1534/g3.115.023069
PG 12
WC Genetics & Heredity
SC Genetics & Heredity
GA DA3UQ
UT WOS:000367725000009
PM 26585824
ER
PT J
AU Niu, J
Arentshorst, M
Nair, PDS
Dai, ZY
Baker, SE
Frisvad, JC
Nielsen, KF
Punt, PJ
Ram, AFJ
AF Niu, Jing
Arentshorst, Mark
Nair, P. Deepa S.
Dai, Ziyu
Baker, Scott E.
Frisvad, Jens C.
Nielsen, Kristian F.
Punt, Peter J.
Ram, Arthur F. J.
TI Identification of a Classical Mutant in the Industrial Host Aspergillus
niger by Systems Genetics: LaeA Is Required for Citric Acid Production
and Regulates the Formation of Some Secondary Metabolites
SO G3-GENES GENOMES GENETICS
LA English
DT Article
DE organic acids; filamentous fungi; bulk segregant analysis; parasexual
cycle; genome sequencing
ID BULK SEGREGANT ANALYSIS; FILAMENTOUS FUNGI;
BIOCHEMICAL-CHARACTERIZATION; FUSARIUM-VERTICILLIOIDES;
PENICILLIUM-CHRYSOGENUM; TARGET PROTEINS; AMBIENT PH; PYRG-GENE;
EXPRESSION; PROTEASES
AB The asexual filamentous fungus Aspergillus niger is an important industrial cell factory for citric acid production. In this study, we genetically characterized a UV-generated A. niger mutant that was originally isolated as a nonacidifying mutant, which is a desirable trait for industrial enzyme production. Physiological analysis showed that this mutant did not secrete large amounts of citric acid and oxalic acid, thus explaining the nonacidifying phenotype. As traditional complementation approaches to characterize the mutant genotype were unsuccessful, we used bulk segregant analysis in combination with high-throughput genome sequencing to identify the mutation responsible for the nonacidifying phenotype. Since A. niger has no sexual cycle, parasexual genetics was used to generate haploid segregants derived from diploids by loss of whole chromosomes. We found that the nonacidifying phenotype was caused by a point mutation in the laeA gene. LaeA encodes a putative methyltransferase-domain protein, which we show here to be required for citric acid production in an A. niger lab strain (N402) and in other citric acid production strains. The unexpected link between LaeA and citric acid production could provide new insights into the transcriptional control mechanisms related to citric acid production in A. niger. Interestingly, the secondary metabolite profile of a Delta laeA strain differed from the wild-type strain, showing both decreased and increased metabolite levels, indicating that LaeA is also involved in regulating the production of secondary metabolites. Finally, we show that our systems genetics approach is a powerful tool to identify trait mutations.
C1 [Niu, Jing; Arentshorst, Mark; Nair, P. Deepa S.; Punt, Peter J.; Ram, Arthur F. J.] Leiden Univ, Inst Biol Leiden, Mol Microbiol & Biotechnol, NL-2333 BE Leiden, Netherlands.
[Dai, Ziyu] Pacific NW Natl Lab, Chem & Biol Proc Dev Grp, Richland, WA 99352 USA.
[Baker, Scott E.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
[Frisvad, Jens C.; Nielsen, Kristian F.] Tech Univ Denmark, Dept Syst Biol, DK-2800 Lyngby, Denmark.
[Punt, Peter J.] Dutch DNA Biotech, NL-3700 AJ Zeist, Netherlands.
RP Ram, AFJ (reprint author), Leiden Univ, Sylvius Lab, Inst Biol Leiden, Mol Microbiol & Biotechnol, Sylviusweg 72, NL-2333 BE Leiden, Netherlands.
EM a.f.j.ram@biology.leidenuniv.nl
RI Nielsen, Kristian/C-7233-2011
OI Nielsen, Kristian/0000-0002-5848-0911
FU China Scholarship Council; PNNL Technical Development Use at Facility
Funds
FX We thank Idriss Iziyi, Abeer Hossain, Ulrike Gericke, and Karin Overkamp
for technical assistance. Peter van de Vondervoort, Fons Debets, and
Kees van den Hondel are acknowledged for advice and stimulating
discussions. We thank Frans Klis for helpful comments on the manuscript.
We are grateful to Agilent Technologies for the Thought Leader Donation
of the Agilent UHPLC-QTOF system. J.N. is supported by a grant from the
China Scholarship Council. S.E.B. and Z.D. were supported by PNNL
Technical Development Use at Facility Funds.
NR 86
TC 6
Z9 7
U1 7
U2 28
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 1
PY 2016
VL 6
IS 1
BP 193
EP 204
DI 10.1534/g3.115.024067
PG 12
WC Genetics & Heredity
SC Genetics & Heredity
GA DA3UQ
UT WOS:000367725000019
PM 26566947
ER
PT J
AU Zhu, MQ
Frandsen, C
Wallace, AF
Legg, B
Khalid, S
Zhang, H
Morup, S
Banfield, JF
Waychunas, GA
AF Zhu, Mengqiang
Frandsen, Cathrine
Wallace, Adam F.
Legg, Benjamin
Khalid, Syed
Zhang, Hengzhong
Morup, Steen
Banfield, Jillian F.
Waychunas, Glenn A.
TI Precipitation pathways for ferrihydrite formation in acidic solutions
SO GEOCHIMICA ET COSMOCHIMICA ACTA
LA English
DT Article
ID K-EDGE EXAFS; RAY-ABSORPTION-SPECTROSCOPY; AQUEOUS-SOLUTIONS; GROWTH
MECHANISMS; PO4 IONS; IRON OXYHYDROXIDES; MOSSBAUER-SPECTROSCOPY; FE
OXYHYDROXIDE; FERRIC IRON; KEGGIN ION
AB Iron oxides and oxyhydroxides form via Fe3+ hydrolysis and polymerization in many aqueous environments, but the pathway from Fe3+ monomers to oligomers and then to solid phase nuclei is unknown. In this work, using combined X-ray, UV-vis, and Mossbauer spectroscopic approaches, we were able to identify and quantify the long-time sought ferric speciation over time during ferric oxyhydroxide formation in partially-neutralized ferric nitrate solutions ([Fe3+] = 0.2 M, 1.8 < pH < 3). Results demonstrate that Fe exists mainly as Fe(H2O)(6)(3+), mu-oxo aquo dimers and ferrihydrite, and that with time, the mu-oxo dimer decreases while the other two species increase in their concentrations. No larger Fe oligomers were detected. Given that the structure of the mu-oxo dimer is incompatible with those of all Fe oxides and oxyhydroxides, our results suggest that reconfiguration of the mu-oxo dimer structure occurs prior to further condensation leading up to the nucleation of ferrihydrite. The structural reconfiguration is likely the rate-limiting step involved in the nucleation process. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Zhu, Mengqiang] Univ Wyoming, Dept Ecosyst Sci & Management, Laramie, WY 82071 USA.
[Zhu, Mengqiang; Banfield, Jillian F.; Waychunas, Glenn A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
[Frandsen, Cathrine; Morup, Steen] Tech Univ Denmark, Dept Phys, DK-2800 Lyngby, Denmark.
[Wallace, Adam F.] Univ Delaware, Dept Geol Sci, Newark, DE 19713 USA.
[Legg, Benjamin; Zhang, Hengzhong] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA.
[Khalid, Syed] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA.
RP Zhu, MQ (reprint author), Univ Wyoming, Dept Ecosyst Sci & Management, Laramie, WY 82071 USA.
EM mzhu6@uwyo.edu
RI Frandsen, Cathrine/A-5729-2011
OI Frandsen, Cathrine/0000-0001-5006-924X
FU U.S. Department of Energy, Office of Basic Energy Sciences
[DE-AC02-05CH11231]; U.S. National Science Foundation [EAR-1529937];
Danish council for independent research; U.S. DOE Office of Science,
Office of Basic Energy Sciences [DE-AC02-98CH10886]; DOE Office of
Science [DE-AC02-06CH11357]; U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences [DE-AC02-76SF00515]
FX The work was supported by the U.S. Department of Energy, Office of Basic
Energy Sciences, under Award Number DE-AC02-05CH11231 to Lawrence
Berkeley National laboratory. M. Z. also thanks the partial support from
the U.S. National Science Foundation under Grant EAR-1529937. C.F.
acknowledges funding from the Danish council for independent research.
Use of the National Synchrotron Light Source, Brookhaven National
Laboratory was supported by the U.S. DOE Office of Science, Office of
Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. 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. 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.
NR 75
TC 8
Z9 8
U1 22
U2 55
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 2016
VL 172
BP 247
EP 264
DI 10.1016/j.gca.2015.09.015
PG 18
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA DA1AP
UT WOS:000367529000015
ER
PT J
AU Villa, IM
Bonardi, ML
De Bievre, P
Holden, NE
Renne, PR
AF Villa, I. M.
Bonardi, M. L.
De Bievre, P.
Holden, N. E.
Renne, P. R.
TI IUPAC-IUGS status report on the half-lives of U-238, U-235 and U-234
SO GEOCHIMICA ET COSMOCHIMICA ACTA
LA English
DT Article
ID CA-TIMS METHOD; MASS-SPECTROMETRY; DECAY CONSTANTS; ISOTOPE
FRACTIONATION; TECHNICAL REPORT; ATOMIC WEIGHTS; SOLAR-SYSTEM; DOUBLE
SPIKE; URANIUM; PB
AB The current state of knowledge on the half-lives of the long-lived U radionuclides has been reviewed by the IUPAC-IUGS joint Task Group "Isotopes in Geosciences". U-238 is assigned a half-life of (4.4683 +/- 0.0096) Ga, i.e. a decay constant lambda(238) = (0.155125 +/- 0.000333) Ga-1. The coverage factor is k = 2 for this and all other estimates presented here. The U-238 half-life can be used as a reference for the half-lives/decay constants of all other isotopic geochronometers.
A revision of the half-life of U-235 based on intercomparison of natural geological samples is premature. The improved repeatability of mass spectrometric measurements has revealed Type B uncertainties that had been dismissed as subordinate in the past. The combined uncertainty of these as yet incompletely charted and quantified sources of Type B uncertainty may be no smaller than the currently accepted uncertainty of the alpha counting experiments.
A provisional value for the U-234 half-life can be calculated with the assumption of secular equilibrium in the analyzed natural samples. This assumption has not yet been verified independently and its metrological traceability appears sub-optimum. A Type B evaluation suggests that the ca. 0.17% offset between the N(U-234)/N(U-238) number-ratios of the natural samples used to estimate the U-235 half-life and those of the four samples used to estimate the U-234 half-life should be compounded into the standard measurement uncertainty of the latter. The resulting provisional uncertainty interval (k = 2) for the U-234 half-life is (244.55-247.77) ka, corresponding to lambda(234) = (2.8203-2.8344) Ma(-1). (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Villa, I. M.; Bonardi, M. L.; De Bievre, P.; Holden, N. E.; Renne, P. R.] Univ Bern, Inst Geol, Joint IUPAC IUGS Task Grp Isotope Data Geosci, CH-3012 Bern, Switzerland.
[Villa, I. M.; Renne, P. R.] Int Union Geol Sci, Beijing 100037, Peoples R China.
[Bonardi, M. L.; De Bievre, P.; Holden, N. E.] Int Union Pure & Appl Chem, Res Triangle Pk, NC 27709 USA.
[Villa, I. M.] Univ Bern, Inst Geol, CH-3012 Bern, Switzerland.
[Villa, I. M.] Univ Milano Bicocca, Ctr Univ Dataz & Archeometria, I-20126 Milan, Italy.
[Bonardi, M. L.] Univ Milan, LASA, I-20090 Segrate, Italy.
[Bonardi, M. L.] INFN, I-20090 Segrate, Italy.
[De Bievre, P.] Metrology, Chem, B-2460 Kasterlee, Belgium.
[Holden, N. E.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
[Renne, P. R.] Berkeley Geochronol Ctr, Berkeley, CA 94720 USA.
[Renne, P. R.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA.
RP Villa, IM (reprint author), Univ Bern, Inst Geol, CH-3012 Bern, Switzerland.
OI Villa, Igor M/0000-0002-8070-8142
FU International Union of Geological Sciences; International Unit of Pure
and Applied Chemistry
FX Reviews by Friedrich Begemann, Dan Condon, Blair Schoene, and three
anonymous referees, as well as substantial editorial input by Yuri
Amelin and Frank Podosek, are very gratefully acknowledged. The TGIG was
funded in equal parts by the International Union of Geological Sciences
and the International Unit of Pure and Applied Chemistry.
NR 39
TC 5
Z9 5
U1 2
U2 7
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 2016
VL 172
BP 387
EP 392
DI 10.1016/j.gca.2015.10.011
PG 6
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA DA1AP
UT WOS:000367529000022
ER
PT J
AU Aravena, D
Munoz, M
Morata, D
Lahsen, A
Parada, MA
Dobson, P
AF Aravena, Diego
Munoz, Mauricio
Morata, Diego
Lahsen, Alfredo
Angel Parada, Miguel
Dobson, Patrick
TI Assessment of high enthalpy geothermal resources and promising areas of
Chile
SO GEOTHERMICS
LA English
DT Article
DE Geothermal power potential; High enthalpy; Chilean Andes; USGS Heat in
Place; Monte Carlo
ID NORTHERN CHILE; VOLCANIC ZONE; DISCHARGES; SYSTEM; FIELD; FLOW
AB This work aims to assess geothermal power potential in identified high enthalpy geothermal areas in the Chilean Andes, based on reservoir temperature and volume. In addition, we present a set of highly favorable geothermal areas, but without enough data in order to quantify the resource. Information regarding geothermal systems was gathered and ranked to assess Indicated or Inferred resources, depending on the degree of confidence that a resource may exist as indicated by the geoscientific information available to review. Resources were estimated through the USGS Heat in Place method. A Monte Carlo approach is used to quantify variability in boundary conditions. Estimates of total Indicated resource are confined to 3 geothermal systems; Apacheta, El Tatio and Tolhuaca, yielding a total value of 228 +/- 154 MWe. The estimates of the total Inferred resources for Chile include 6 geothermal systems and yield a total value of 431 +/- 321 MWe. Standard deviation reflects the high variability of reservoir specific parameters for each system. A set of 65 favorable geothermal areas are proposed as the most likely future development targets. Eight of them have initial exploration results that suggest they are highly favorable targets as potential geothermal resources. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Aravena, Diego; Munoz, Mauricio; Morata, Diego; Lahsen, Alfredo; Angel Parada, Miguel] Univ Chile, CEGA, Fac Ciencias Fis & Matemat, Santiago, Chile.
[Aravena, Diego; Munoz, Mauricio; Morata, Diego; Lahsen, Alfredo; Angel Parada, Miguel] Univ Chile, Dept Geol, Fac Ciencias Fis & Matemat, Santiago, Chile.
[Dobson, Patrick] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Aravena, D (reprint author), Univ Chile, CEGA, Plaza Ercilla 803, Santiago, Chile.
EM daravena@ing.uchile.cl; maumunoz@ing.uchile.cl
RI Dobson, Patrick/D-8771-2015; Morata, Diego/G-4871-2016; Parada, Miguel
Angel/I-6755-2016
OI Dobson, Patrick/0000-0001-5031-8592; Morata, Diego/0000-0002-9751-2429;
Parada, Miguel Angel/0000-0002-8049-7576
FU FONDAP/CONICYT (Centro de Excelencia en Geotermia de los Andes, CEGA)
[15090013]; Departamento de Geologia, FCFM, Universidad de Chile;
Lawrence Berkeley National Laboratory under U.S. Department of Energy;
U.S. Department of Energy [DE-AC02-05CH11231]
FX This work has been supported by the FONDAP/CONICYT Project number
15090013 (Centro de Excelencia en Geotermia de los Andes, CEGA) and
Departamento de Geologia, FCFM, Universidad de Chile. P. Dobson was
supported by Lawrence Berkeley National Laboratory under U.S. Department
of Energy, Assistant Secretary for Energy Efficiency and Renewable
Energy, Geothermal Technologies Office, under the U.S. Department of
Energy Contract no. DE-AC02-05CH11231. The authors would especially like
to thank Dra. Jennifer Blank and two anonymous reviewers for their
valuable comments.
NR 77
TC 1
Z9 1
U1 4
U2 17
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0375-6505
EI 1879-3576
J9 GEOTHERMICS
JI Geothermics
PD JAN
PY 2016
VL 59
BP 1
EP 13
DI 10.1016/j.geothermics.2015.09.001
PN A
PG 13
WC Energy & Fuels; Geosciences, Multidisciplinary
SC Energy & Fuels; Geology
GA DA4NS
UT WOS:000367777200001
ER
PT J
AU Siler, DL
Kennedy, BM
AF Siler, Drew L.
Kennedy, B. Mack
TI Regional crustal-scale structures as conduits for deep geothermal upflow
SO GEOTHERMICS
LA English
DT Article
DE Exploration; Geothermal; Structure; Helium; Deep fluid flow; Great
Basin; McGinness Hills; Dixie Valley
ID WESTERN UNITED-STATES; NORTH-CENTRAL NEVADA; GOLD DEPOSITS; RANGE
PROVINCE; MANTLE HELIUM; THRUST BELT; FAULT-ZONE; CALIFORNIA; BASIN;
SYSTEM
AB Geothermal fluids produced from two of the largest production geothermal fields in the Great Basin have helium isotope ratios that are anomalously high relative to basin-wide trends. These data indicate that the geothermal systems, Dixie Valley, Nevada and McGinness Hills, Nevada have an anomalously high fraction of mantle derived fluid. These connections to deeply derived fluid and heat may supplement crustal heat production and be responsible, in part, for the anomalously high production capacity, relative to other Great Basin geothermal fields, that Dixie Valley and McGinness Hills support. Deep-seated crustal structures across the Great Basin and around the world are known to be associated with structural reactivation, can have relatively high permeability, and can act as fluid flow conduits. These deep seated structures across the Great Basin control upflow of deeply derived heat and fluids into the shallow geothermal systems at Dixie Valley and McGinness Hills, contributing to their productivity. (C) 2015 Published by Elsevier Ltd.
C1 [Siler, Drew L.; Kennedy, B. Mack] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Siler, DL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
EM dlsiler@lbl.gov
RI Siler, Drew/D-1508-2015
OI Siler, Drew/0000-0001-7540-8244
FU Lawrence Berkeley National Laboratory under U.S. Department of Energy;
U.S. Department of Energy [DE-AC02-05CH11231]
FX Discussions and comments from Phil Wannamaker and an anonymous reviewer
greatly improved this paper. This work was supported by Lawrence
Berkeley National Laboratory under U.S. Department of Energy, Assistant
Secretary for Energy Efficiency and Renewable Energy, Geothermal
Technologies Program, under the U.S. Department of Energy Contract No.
DE-AC02-05CH11231. Thanks to Mark Coolbaugh for compiling the power
plant capacity data.
NR 101
TC 3
Z9 3
U1 3
U2 6
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0375-6505
EI 1879-3576
J9 GEOTHERMICS
JI Geothermics
PD JAN
PY 2016
VL 59
BP 27
EP 37
DI 10.1016/j.geothermics.2015.10.007
PN A
PG 11
WC Energy & Fuels; Geosciences, Multidisciplinary
SC Energy & Fuels; Geology
GA DA4NS
UT WOS:000367777200003
ER
PT J
AU Palty, R
Isacoff, EY
AF Palty, Raz
Isacoff, Ehud Y.
TI Cooperative Binding of Stromal Interaction Molecule 1 (STIM1) to the N
and C Termini of Calcium Release-activated Calcium Modulator 1 (Orai1)
SO JOURNAL OF BIOLOGICAL CHEMISTRY
LA English
DT Article
DE calcium channel; calcium release-activated calcium channel protein 1
(ORAI1); gating; ion channel; stromal interaction molecule 1 (STIM1)
ID CRAC CHANNEL ACTIVATION; OPERATED CA2+ ENTRY; PLASMA-MEMBRANE; DOMAIN;
PROTEIN; SENSOR; OLIGOMERIZATION; CONFORMATION; DEPLETION; COUPLES
AB Calcium flux through store-operated calcium entry is a central regulator of intracellular calcium signaling. The two key components of the store-operated calcium release-activated calcium channel are the Ca2+-sensing protein stromal interaction molecule 1 (STIM1) and the channel pore-forming protein Orai1. During store-operated calcium entry activation, calcium depletion from the endoplasmic reticulum triggers a series of conformational changes in STIM1 that unmask a minimal Orai1-activating domain (CRAC activation region (CAD)). To gate Orai1 channels, the exposed STIM1-activating domain binds to two sites in Orai1, one in the N terminus and one in the C terminus. Whether the two sites operate as distinct binding domains or cooperate in CAD binding is unknown. In this study, we show that the N and C-terminal domains of Orai1 synergistically contribute to the interaction with STIM1 and couple STIM1 binding with channel gating and modulation of ion selectivity.
C1 [Palty, Raz; Isacoff, Ehud Y.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA.
[Isacoff, Ehud Y.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA.
[Isacoff, Ehud Y.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
RP Isacoff, EY (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA.
EM ehud@berkeley.edu
FU American Heart Association Postdoctoral Fellowship [13POST14000008];
National Institutes of Health [R01 NS35549]
FX This work was supported by American Heart Association Postdoctoral
Fellowship 13POST14000008 (to R.P.) and National Institutes of Health
Grant R01 NS35549 (to E.Y.I.). The authors declare that they have no
conflicts of interest with the contents of this article. The content is
solely the responsibility of the authors and does not necessarily
represent the official views of the National Institutes of Health.
NR 31
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U1 1
U2 2
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 JAN 1
PY 2016
VL 291
IS 1
BP 334
EP 341
DI 10.1074/jbc.M115.685289
PG 8
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA DA1XP
UT WOS:000367589500026
PM 26546674
ER
PT J
AU Zeigler, BP
Nutaro, JJ
AF Zeigler, Bernard P.
Nutaro, James J.
TI Towards a framework for more robust validation and verification of
simulation models for systems of systems
SO JOURNAL OF DEFENSE MODELING AND SIMULATION-APPLICATIONS METHODOLOGY
TECHNOLOGY-JDMS
LA English
DT Article
DE Validation; verification; modeling and simulation; experimental frames;
intended use; Discrete Event System Specification
AB We present a framework for verification and validation of simulation models of System of Systems that is based on an existing framework for modeling and simulation. The framework addresses problems arising especially in recently emerging Systems of Systems such as cyber-physical autonomous cooperative systems. The design of such systems presents challenges to the currently employed independent use of simplified models for formal verification or brute-force simulations which are severely limited in the range of conditions they can test. The proposed framework is applied to integration of formal analytic and simulation verification methods where there is a need to have confidence that the properties proved for idealized abstract models also hold in more realistic models which gave rise to the abstractions. Taking both logical and probabilistic perspectives clarifies the situation and suggests where more research is needed.
C1 [Zeigler, Bernard P.] RTSync Corp, Phoenix, AZ 85042 USA.
[Zeigler, Bernard P.] Arizona Ctr Integrat Modeling & Simulat, Tucson, AZ USA.
[Nutaro, James J.] Oak Ridge Natl Lab, M&S Grp, Oak Ridge, TN USA.
RP Zeigler, BP (reprint author), RTSync Corp, Phoenix, AZ 85042 USA.
EM zeigler@ece.arizona.edu
OI Nutaro, James/0000-0001-7360-2836
NR 55
TC 1
Z9 1
U1 2
U2 2
PU SAGE PUBLICATIONS INC
PI THOUSAND OAKS
PA 2455 TELLER RD, THOUSAND OAKS, CA 91320 USA
SN 1548-5129
EI 1557-380X
J9 J DEF MODEL SIMUL-AP
JI J. Def. Model. Simul.-Appl. Methodol. Technol.-JDMS
PD JAN
PY 2016
VL 13
IS 1
BP 3
EP 16
DI 10.1177/1548512914568657
PG 14
WC Engineering, Multidisciplinary
SC Engineering
GA DA5IF
UT WOS:000367836000001
ER
PT J
AU Nutaro, J
Allgood, G
Kuruganti, T
AF Nutaro, James
Allgood, Glenn
Kuruganti, Teja
TI Towards improving software security by using simulation to inform
requirements and conceptual design
SO JOURNAL OF DEFENSE MODELING AND SIMULATION-APPLICATIONS METHODOLOGY
TECHNOLOGY-JDMS
LA English
DT Article
DE Cyber-security; simulation; requirements; design; reliability;
supervisory control
ID RESILIENCE; SYSTEMS
AB In this article we illustrate the use of modeling and simulation early in the system life-cycle to improve security and reduce costs. The models that we develop for this illustration are inspired by problems in reliability analysis and supervisory control, for which similar models are used to quantify failure probabilities and rates. In the context of security, we propose that models of this general type can be used to understand trades between risk and cost while writing system requirements and during conceptual design, and thereby significantly reduce the need for expensive security corrections after a system enters operation.
C1 [Nutaro, James] Oak Ridge Natl Lab, Computat Sci & Engn Div, Modeling & Simulat Grp, Oak Ridge, TN 37831 USA.
[Allgood, Glenn] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Kuruganti, Teja] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA.
RP Nutaro, J (reprint author), Oak Ridge Natl Lab, One Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM nutarojj@ornl.gov
OI Nutaro, James/0000-0001-7360-2836
NR 21
TC 0
Z9 0
U1 0
U2 1
PU SAGE PUBLICATIONS INC
PI THOUSAND OAKS
PA 2455 TELLER RD, THOUSAND OAKS, CA 91320 USA
SN 1548-5129
EI 1557-380X
J9 J DEF MODEL SIMUL-AP
JI J. Def. Model. Simul.-Appl. Methodol. Technol.-JDMS
PD JAN
PY 2016
VL 13
IS 1
BP 35
EP 41
DI 10.1177/1548512915591049
PG 7
WC Engineering, Multidisciplinary
SC Engineering
GA DA5IF
UT WOS:000367836000004
ER
PT J
AU Turick, CE
Berry, CJ
AF Turick, Charles E.
Berry, Christopher J.
TI Review of concrete biodeterioration in relation to nuclear waste
SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY
LA English
DT Review
DE Concrete; Biodegradation; Nuclear waste storage; Biogeochemistry;
Biofilms
ID MICROBIALLY-INFLUENCED DEGRADATION; SULFUR-OXIDIZING BACTERIA; CORRODED
CONCRETE; SEWER PIPES; CORROSION; CEMENT; DETERIORATION; BIOFILMS;
BIODEGRADATION; SYSTEMS
AB Storage of radioactive waste in concrete structures is a means of containing wastes and related radio-nuclides generated from nuclear operations in many countries. Previous efforts related to microbial impacts on concrete structures that are used to contain radioactive waste showed that microbial activity can play a significant role in the process of concrete degradation and ultimately structural deterioration.
This literature review examines the research in this field and is focused on specific parameters that are applicable to modeling and prediction of the fate of concrete structures used to store or dispose of radioactive waste. Rates of concrete biodegradation vary with the environmental conditions, illustrating a need to understand the bioavailability of key compounds involved in microbial activity. Specific parameters require pH and osmotic pressure to be within a certain range to allow for microbial growth as well as the availability and abundance of energy sources such as components involved in sulfur, iron and nitrogen oxidation. Carbon flow and availability are also factors to consider in predicting concrete biodegradation.
The microbial contribution to degradation of the concrete structures containing radioactive waste is a constant possibility. The rate and degree of concrete biodegradation is dependent on numerous physical, chemical and biological parameters. Parameters to focus on for modeling activities and possible options for mitigation that would minimize concrete biodegradation are discussed and include key conditions that drive microbial activity on concrete surfaces. (C) 2015 Published by Elsevier Ltd.
C1 [Turick, Charles E.; Berry, Christopher J.] Savannah River Natl Lab, Environm Sci & Biotechnol, Aiken, SC 29808 USA.
RP Turick, CE (reprint author), Savannah River Natl Lab, Environm Sci & Biotechnol, Bldg 999-W, Aiken, SC 29808 USA.
EM Charles.Turick@srnl.doe.gov
FU U.S. Department of Energy [DE-AC09-08SR22470]
FX This work was funded by the U.S. Department of Energy under contract
number DE-AC09-08SR22470.
NR 61
TC 1
Z9 1
U1 16
U2 33
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0265-931X
EI 1879-1700
J9 J ENVIRON RADIOACTIV
JI J. Environ. Radioact.
PD JAN
PY 2016
VL 151
BP 12
EP 21
DI 10.1016/j.jenvrad.2015.09.005
PN 1
PG 10
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA DA4JZ
UT WOS:000367767500002
PM 26397745
ER
PT J
AU Snow, MS
Snyder, DC
AF Snow, Mathew S.
Snyder, Darin C.
TI Cs-135/Cs-137 isotopic composition of environmental samples across
Europe: Environmental transport and source term emission applications
SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY
LA English
DT Article
DE Cs-135; Cs-137; Chernobyl; Sellafield; Attribution
ID CHERNOBYL ACCIDENT; RADIOACTIVE CONTAMINATION; GAMMA-EMITTERS; NUCLEAR;
RATIOS; CS-137; SOIL; FALLOUT; CS-137/CS-135; RADIOCESIUM
AB Cs-135/Cs-137 isotopic analyses represent an important tool for studying the fate and transport of radiocesium in the environment; in this work the Cs-135/Cs-137 isotopic composition in environmental samples taken from across Europe is reported. Surface soil and vegetation samples from western Russia, Ukraine, Austria, and Hungary show consistent aged thermal fission product Cs-135/Cs-137 isotope ratios of 0.58 +/- 0.01 (age corrected to 1/1/15), with the exception of one sample of soil-moss from Hungary which shows an elevated Cs-135/Cs-137 ratio of 1.78 +/- 0.12. With the exception of the outlier sample from Hungary, surface soil/vegetation data are in quantitative agreement with values previously reported for soils within the Chernobyl exclusion zone, suggesting that radiocesium at these locations is primarily composed of homogenous airborne deposition from Chernobyl. Seawater samples taken from the Irish Sea show Cs-135/Cs-137 isotope ratios of 1.22 +/- 0.11 (age corrected to 1/1/15), suggesting aged thermal fission product Cs discharged from Sellafield. The differences in Cs-135/Cs-137 isotope ratios between Sellafield, Chernobyl, and global nuclear weapons testing fallout indicate that Cs-135/Cs-137 isotope ratios can be utilized to discriminate between and track radiocesium transport from different nuclear production source terms, including major emission sources in Europe. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Snow, Mathew S.; Snyder, Darin C.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Snow, MS (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA.
EM mathew.snow@inl.gov
RI Snyder, Darin/B-6863-2017
OI Snyder, Darin/0000-0001-8104-4248
FU U.S. Department of Homeland Security [2012-DN-130-NF0001-02]; Battelle
Energy Alliance, LLC [DE-AC07-05ID14517]; U.S. Department of Energy
FX This material is based upon work supported in part by the U.S.
Department of Homeland Security under Grant Award Number,
2012-DN-130-NF0001-02, and in part, by Battelle Energy Alliance, LLC
under Contract No. DE-AC07-05ID14517 with the U.S. Department of Energy.
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 45
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U1 4
U2 13
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0265-931X
EI 1879-1700
J9 J ENVIRON RADIOACTIV
JI J. Environ. Radioact.
PD JAN
PY 2016
VL 151
BP 258
EP 263
DI 10.1016/j.jenvrad.2015.10.025
PN 1
PG 6
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA DA4JZ
UT WOS:000367767500030
PM 26540258
ER
PT J
AU White, AC
Rogers, A
Rees, M
Osborne, CP
AF White, Angela C.
Rogers, Alistair
Rees, Mark
Osborne, Colin P.
TI How can we make plants grow faster? A source-sink perspective on growth
rate
SO JOURNAL OF EXPERIMENTAL BOTANY
LA English
DT Review
DE Carbon; crops; models; nitrogen; plant growth; regulation; sink; source
ID ELEVATED CARBON-DIOXIDE; VEGETATIVE STORAGE PROTEIN; AIR CO2 ENRICHMENT;
NITRATE REDUCTASE; WHEAT PLANTS; CROP YIELD; TREHALOSE
6-PHOSPHATE/SNRK1; PHOTOSYNTHETIC ACCLIMATION; LEAF PHOTOSYNTHESIS;
RESOURCE-ALLOCATION
AB Growth is a major component of fitness in all organisms, an important mediator of competitive interactions in plant communities, and a central determinant of yield in crops. Understanding what limits plant growth is therefore of fundamental importance to plant evolution, ecology, and crop science, but each discipline views the process from a different perspective. This review highlights the importance of source-sink interactions as determinants of growth. The evidence for source-and sink-limitation of growth, and the ways in which regulatory molecular feedback systems act to maintain an appropriate source: sink balance, are first discussed. Evidence clearly shows that future increases in crop productivity depend crucially on a quantitative understanding of the extent to which sources or sinks limit growth, and how this changes during development. To identify bottlenecks limiting growth and yield, a holistic view of growth is required at the whole-plant scale, incorporating mechanistic interactions between physiology, resource allocation, and plant development. Such a holistic perspective on source-sink interactions will allow the development of a more integrated, whole-system level understanding of growth, with benefits across multiple disciplines.
C1 [White, Angela C.; Rees, Mark; Osborne, Colin P.] Univ Sheffield, Dept Anim & Plant Sci, Sheffield S10 2TN, S Yorkshire, England.
[Rogers, Alistair] Brookhaven Natl Lab, Biol Environm & Climate Sci Dept, Upton, NY 11973 USA.
RP White, AC (reprint author), Univ Sheffield, Dept Anim & Plant Sci, Sheffield S10 2TN, S Yorkshire, England.
EM angela.white@sheffield.ac.uk; c.p.osborne@sheffield.ac.uk
RI Rogers, Alistair/E-1177-2011
OI Rogers, Alistair/0000-0001-9262-7430
FU Society for Experimental Biology (SEB); United States Department of
Energy [DE-SC00112704]; Next-Generation Ecosystem Experiments (NGEE
Tropics) project by the Office of Biological and Environmental Research
in the Department of Energy, Office of Science
FX We thank Professor Andrew Fleming (Department of Animal and Plant
Sciences, University of Sheffield) for helpful discussions relating to
the manuscript. We are grateful to the three anonymous reviewers who
provided constructive and insightful comments that significantly
improved the manuscript. We thank Tiffany Bowman (Brookhaven National
Laboratory) for assistance with graphic design. AW was supported by a
PhD studentship from the Society for Experimental Biology (SEB). AR was
supported by the United States Department of Energy contract No.
DE-SC00112704 to Brookhaven National Laboratory and by the
Next-Generation Ecosystem Experiments (NGEE Tropics) project that is
supported by the Office of Biological and Environmental Research in the
Department of Energy, Office of Science.
NR 142
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U1 33
U2 122
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0022-0957
EI 1460-2431
J9 J EXP BOT
JI J. Exp. Bot.
PD JAN
PY 2016
VL 67
IS 1
BP 31
EP 45
DI 10.1093/jxb/erv447
PG 15
WC Plant Sciences
SC Plant Sciences
GA DA5BE
UT WOS:000367816300003
PM 26466662
ER
PT J
AU Yan, ZZ
Tracy, C
Veeraraghavan, M
Jin, T
Liu, ZY
AF Yan, Zhenzhen
Tracy, Chris
Veeraraghavan, Malathi
Jin, Tian
Liu, Zhengyang
TI A Network Management System for Handling Scientific Data Flows
SO JOURNAL OF NETWORK AND SYSTEMS MANAGEMENT
LA English
DT Article
DE NetFlow traffic analysis; Elephant flows; Scientific computing; Research
and education networks (RENs); MPLS; Virtual circuits
ID INTERNET; MPLS
AB Large scientific data transfers often occur at high rates causing increased burstiness in Internet traffic. To limit the adverse effects of these high-rate large-sized flows, which are referred to as flows, on delay-sensitive audio/video flows, a network management system called Alpha Flow Traffic Engineering System (AFTES) is proposed for intra-domain traffic engineering. An offline approach is used in which AFTES analyzes NetFlow records collected by routers, extracts source-destination address prefixes of flows, and uses these prefixes to configure firewall filters at ingress routers of a provider's network to redirect future flows to traffic-engineered paths and isolated queues. The effectiveness of this scheme was evaluated through an analysis of 7 months of NetFlow data obtained from an ESnet router. For this data set, 91 % of bytes generated by flows during high-rate intervals would have been directed had AFTES been deployed. The negative aspect of using address prefixes in firewall filters, i.e., the redirection of flows to -flow paths/queues, was also quantified.
C1 [Yan, Zhenzhen; Veeraraghavan, Malathi] Univ Virginia, Dept Elect & Comp Engn, Charlottesville, VA 22904 USA.
[Tracy, Chris] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Sci Network ESnet, Berkeley, CA 94720 USA.
[Jin, Tian; Liu, Zhengyang] Univ Virginia, Dept Comp Sci, Charlottesville, VA 22904 USA.
RP Veeraraghavan, M (reprint author), Univ Virginia, Dept Elect & Comp Engn, Charlottesville, VA 22904 USA.
EM zy4d@virginia.edu; ctracy@es.net; mv5g@virginia.edu; tj3sr@virginia.edu;
zl4ef@virginia.edu
FU NSF [OCI-1127340, CNS-1116081, ACI-1340910, CNS-1405171]; U.S. DOE
[DE-SC0002350, DE-SC0007341]; Office of Science, Office of Basic Energy
Sciences, of the U.S. DOE [DE-AC02-05CH11231]; Office of Science of the
U.S. DOE through the American Recovery and Reinvestment Act
[DE-AC02-05CH11231]
FX The UVA portion was supported by NSF grants OCI-1127340, CNS-1116081,
ACI-1340910, CNS-1405171 and U.S. DOE grants DE-SC0002350 and
DE-SC0007341. The ESnet portion was supported by the Director, Office of
Science, Office of Basic Energy Sciences, of the U.S. DOE under Contract
No. DE-AC02-05CH11231. This research used resources of the ESnet ANI
Testbed, which is supported by the Office of Science of the U.S. DOE
under contract DE-AC02-05CH11231, funded through the American Recovery
and Reinvestment Act of 2009.
NR 46
TC 0
Z9 0
U1 3
U2 5
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1064-7570
EI 1573-7705
J9 J NETW SYST MANAG
JI J. Netw. Syst. Manag.
PD JAN
PY 2016
VL 24
IS 1
BP 1
EP 33
DI 10.1007/s10922-014-9336-2
PG 33
WC Computer Science, Information Systems; Telecommunications
SC Computer Science; Telecommunications
GA DA3FM
UT WOS:000367682400001
ER
PT J
AU Dziarzhytski, S
Gerasimova, N
Goderich, R
Mey, T
Reininger, R
Rubhausen, M
Siewert, F
Weigelt, H
Brenner, G
AF Dziarzhytski, Siarhei
Gerasimova, Natalia
Goderich, Rene
Mey, Tobias
Reininger, Ruben
Ruebhausen, Michael
Siewert, Frank
Weigelt, Holger
Brenner, Guenter
TI Microfocusing at the PG1 beamline at FLASH
SO JOURNAL OF SYNCHROTRON RADIATION
LA English
DT Article; Proceedings Paper
CT 2nd Workshop on FEL Photon Diagnostics, Instrumentation and Beamlines
Design (PhotonDiag)
CY JUN 08-10, 2015
CL Int Ctr Theoretical Phys, Trieste, ITALY
SP Elettra Sincrotrone Trieste, FELs EUROPE
HO Int Ctr Theoretical Phys
DE free-electron laser; Kirkpatrick-Baez mirror system; microfocus;
plane-grating monochromator beamline
ID FREE-ELECTRON LASER; COHERENCE PROPERTIES; RAY; MONOCHROMATOR;
METROLOGY; MIRROR; BESSY
AB The Kirkpatrick-Baez (KB) refocusing mirror system installed at the PG1 branch of the plane-grating monochromator beamline at the soft X-ray/XUV free-electron laser in Hamburg (FLASH) is designed to provide tight aberration-free focusing down to 4 mu m x 6 mu m full width at half-maximum (FWHM) on the sample. Such a focal spot size is mandatory to achieve ultimate resolution and to guarantee best performance of the vacuum-ultraviolet (VUV) off-axis parabolic double-monochromator Raman spectrometer permanently installed at the PG1 beamline as an experimental end-station. The vertical beam size on the sample of the Raman spectrometer, which operates without entrance slit, defines and limits the energy resolution of the instrument which has an unprecedented design value of 2 meV for photon energies below 70 eV and about 15 meV for higher energies up to 200 eV. In order to reach the designed focal spot size of 4 mu m FWHM (vertically) and to hold the highest spectrometer resolution, special fully motorized in-vacuum manipulators for the KB mirror holders have been developed and the optics have been aligned employing wavefront-sensing techniques as well as ablative imprints analysis. Aberrations like astigmatism were minimized. In this article the design and layout of the KB mirror manipulators, the alignment procedure as well as microfocus optimization results are presented.
C1 [Dziarzhytski, Siarhei; Weigelt, Holger; Brenner, Guenter] DESY, D-22067 Hamburg, Germany.
[Gerasimova, Natalia] European XFEL GmbH, D-22761 Hamburg, Germany.
[Goderich, Rene] Univ S Florida, Tampa, FL 33620 USA.
[Mey, Tobias] Laser Lab Gottingen eV, D-37077 Gottingen, Germany.
[Reininger, Ruben] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Ruebhausen, Michael] Univ Hamburg, D-22607 Hamburg, Germany.
[Ruebhausen, Michael] Ctr Free Electron Laser Sci, D-22607 Hamburg, Germany.
[Siewert, Frank] Helmholtz Zentrum Berlin BESSY II, Inst Nanometre Opt & Technol, D-12489 Berlin, Germany.
RP Dziarzhytski, S (reprint author), DESY, Notkestr 85, D-22067 Hamburg, Germany.
EM siarhei.dziarzhytski@desy.de
FU European Metrology Research Project, EMRP-JRP SIB58 Angles within the
EURAMET program of the European Union; US Department of Energy, Office
of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]
FX The authors are grateful to the DESY FS-BT workshop team lead by Jens
Brehling for assistance and help in KB mirrors holders production and
also to the MEA-2 survey group with Markus Schloesser for assistance in
fiducialization and prealignment of the KB mirrors. The work of F.
Siewert is partly funded by the European Metrology Research Project,
EMRP-JRP SIB58 Angles within the EURAMET program of the European Union.
The work of R. Reininger was supported by the US Department of Energy,
Office of Science, Office of Basic Energy Sciences, under Contract No.
DE-AC02-06CH11357. We also thank B. Keitel and E. Plonjes for assistance
with the wavefront sensor operation.
NR 24
TC 1
Z9 1
U1 2
U2 10
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 2016
VL 23
BP 123
EP 131
DI 10.1107/S1600577515023127
PN 1
PG 9
WC Instruments & Instrumentation; Optics; Physics, Applied
SC Instruments & Instrumentation; Optics; Physics
GA DA1IG
UT WOS:000367548900017
PM 26698054
ER
PT J
AU Bencivenga, F
Zangrando, M
Svetina, C
Abrami, A
Battistoni, A
Borghes, R
Capotondi, F
Cucini, R
Dallari, F
Danailov, M
Demidovich, A
Fava, C
Gaio, G
Gerusina, S
Gessini, A
Giacuzzo, F
Gobessi, R
Godnig, R
Grisonich, R
Kiskinova, M
Kurdi, G
Loda, G
Lonza, M
Mahne, N
Manfredda, M
Mincigrucci, R
Pangon, G
Parisse, P
Passuello, R
Pedersoli, E
Pivetta, L
Prica, M
Principi, E
Rago, I
Raimondi, L
Sauro, R
Scarcia, M
Sigalotti, P
Zaccaria, M
Masciovecchio, C
AF Bencivenga, Filippo
Zangrando, Marco
Svetina, Cristian
Abrami, Alessandro
Battistoni, Andrea
Borghes, Roberto
Capotondi, Flavio
Cucini, Riccardo
Dallari, Francesco
Danailov, Miltcho
Demidovich, Alexander
Fava, Claudio
Gaio, Giulio
Gerusina, Simone
Gessini, Alessandro
Giacuzzo, Fabio
Gobessi, Riccardo
Godnig, Roberto
Grisonich, Riccardo
Kiskinova, Maya
Kurdi, Gabor
Loda, Giorgio
Lonza, Marco
Mahne, Nicola
Manfredda, Michele
Mincigrucci, Riccardo
Pangon, Gianpiero
Parisse, Pietro
Passuello, Roberto
Pedersoli, Emanuele
Pivetta, Lorenzo
Prica, Milan
Principi, Emiliano
Rago, Ilaria
Raimondi, Lorenzo
Sauro, Roberto
Scarcia, Martin
Sigalotti, Paolo
Zaccaria, Maurizio
Masciovecchio, Claudio
TI Experimental setups for FEL-based four-wave mixing experiments at FERMI
SO JOURNAL OF SYNCHROTRON RADIATION
LA English
DT Article; Proceedings Paper
CT 2nd Workshop on FEL Photon Diagnostics, Instrumentation and Beamlines
Design (PhotonDiag)
CY JUN 08-10, 2015
CL Int Ctr Theoretical Phys, Trieste, ITALY
SP Elettra Sincrotrone Trieste, FELs EUROPE
HO Int Ctr Theoretical Phys
DE free-electron lasers; non-linear optics; four-wave-mixing; transient
grating
ID FREE-ELECTRON LASER; TRANSIENT GRATING SPECTROSCOPY; X-RAY-SCATTERING;
EXTREME-ULTRAVIOLET; DYNAMICS; COHERENT; SCIENCE; OPTICS; SYSTEM; PULSES
AB The recent advent of free-electron laser (FEL) sources is driving the scientific community to extend table-top laser research to shorter wavelengths adding elemental selectivity and chemical state specificity. Both a compact setup (mini-TIMER) and a separate instrument (EIS-TIMER) dedicated to four-wavemixing (FWM) experiments has been designed and constructed, to be operated as a branch of the Elastic and Inelastic Scattering beamline: EIS. The FWM experiments that are planned at EIS-TIMER are based on the transient grating approach, where two crossed FEL pulses create a controlled modulation of the sample excitations while a third time-delayed pulse is used to monitor the dynamics of the excited state. This manuscript describes such experimental facilities, showing the preliminary results of the commissioning of the EIS-TIMER beamline, and discusses original experimental strategies being developed to study the dynamics of matter at the fs-nm time-length scales. In the near future such experimental tools will allow more sophisticated FEL-based FWM applications, that also include the use of multiple and multi-color FEL pulses.
C1 [Bencivenga, Filippo; Zangrando, Marco; Svetina, Cristian; Abrami, Alessandro; Borghes, Roberto; Capotondi, Flavio; Cucini, Riccardo; Danailov, Miltcho; Demidovich, Alexander; Fava, Claudio; Gaio, Giulio; Gerusina, Simone; Gessini, Alessandro; Giacuzzo, Fabio; Gobessi, Riccardo; Godnig, Roberto; Grisonich, Riccardo; Kiskinova, Maya; Kurdi, Gabor; Loda, Giorgio; Lonza, Marco; Mahne, Nicola; Manfredda, Michele; Mincigrucci, Riccardo; Pangon, Gianpiero; Parisse, Pietro; Passuello, Roberto; Pedersoli, Emanuele; Pivetta, Lorenzo; Prica, Milan; Principi, Emiliano; Rago, Ilaria; Raimondi, Lorenzo; Sauro, Roberto; Scarcia, Martin; Sigalotti, Paolo; Zaccaria, Maurizio; Masciovecchio, Claudio] ELETTRA Sincrotrone Trieste SCpA, I-34149 Trieste, Italy.
[Zangrando, Marco] IOM CNR, Lab TASC, I-34149 Trieste, Italy.
[Svetina, Cristian] Univ Trieste, Grad Sch Nanotechnol, I-34127 Trieste, Italy.
[Battistoni, Andrea] Stanford Univ, SLAC, PULSE Inst Ultrafast Energy Sci, Stanford, CA 94305 USA.
[Dallari, Francesco] Univ Trento, Dept Phys, Trento, Italy.
[Mincigrucci, Riccardo] Univ Perugia, Dept Phys & Geol, I-06100 Perugia, Italy.
RP Bencivenga, F (reprint author), ELETTRA Sincrotrone Trieste SCpA, SS 14,Km 163-5 AREA Sci Pk, I-34149 Trieste, Italy.
EM filippo.bencivenga@elettra.eu
RI Zangrando, Marco/E-1326-2015;
OI Zangrando, Marco/0000-0001-8860-3962; PARISSE,
Pietro/0000-0002-7420-2778
FU European Research Council through the ERC [202804-TIMER]
FX M. Svandrlik and all the FERMI team are gratefully acknowledged for
their valuable support. The authors acknowledge support from the
European Research Council through the ERC Grant N.202804-TIMER.
NR 41
TC 2
Z9 2
U1 2
U2 10
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 2016
VL 23
BP 132
EP 140
DI 10.1107/S1600577515021104
PN 1
PG 9
WC Instruments & Instrumentation; Optics; Physics, Applied
SC Instruments & Instrumentation; Optics; Physics
GA DA1IG
UT WOS:000367548900018
PM 26698055
ER
PT J
AU Antipov, S
Baryshev, SV
Butler, JE
Antipova, O
Liu, Z
Stoupin, S
AF Antipov, S.
Baryshev, S. V.
Butler, J. E.
Antipova, O.
Liu, Z.
Stoupin, S.
TI Single-crystal diamond refractive lens for focusing X-rays in two
dimensions
SO JOURNAL OF SYNCHROTRON RADIATION
LA English
DT Article; Proceedings Paper
CT 2nd Workshop on FEL Photon Diagnostics, Instrumentation and Beamlines
Design (PhotonDiag)
CY JUN 08-10, 2015
CL Int Ctr Theoretical Phys, Trieste, ITALY
SP Elettra Sincrotrone Trieste, FELs EUROPE
HO Int Ctr Theoretical Phys
DE diamond two-dimensional lens; X-ray optics; compound refractive lens;
laser etching
ID FREE-ELECTRON LASER; MONOCHROMATOR; 3RD-GENERATION; REFLECTIVITY;
OPTICS; BEAMS
AB The fabrication and performance evaluation of single-crystal diamond refractive X-ray lenses of which the surfaces are paraboloids of revolution for focusing X-rays in two dimensions simultaneously are reported. The lenses were manufactured using a femtosecond laser micromachining process and tested using X-ray synchrotron radiation. Such lenses were stacked together to form a standard compound refractive lens (CRL). Owing to the superior physical properties of the material, diamond CRLs could become indispensable wavefront-preserving primary focusing optics for X-ray free-electron lasers and the next-generation synchrotron storage rings. They can be used for highly efficient refocusing of the extremely bright X-ray sources for secondary optical schemes with limited aperture such as nanofocusing Fresnel zone plates and multilayer Laue lenses.
C1 [Antipov, S.; Baryshev, S. V.; Butler, J. E.] Euclid Techlabs LLC, Solon, OH 44139 USA.
[Butler, J. E.] Russian Acad Sci, Inst Appl Phys, Nizhnii Novgorod, Russia.
[Antipova, O.] IIT, Dept Biol & Chem Sci, Chicago, IL 60616 USA.
[Liu, Z.; Stoupin, S.] Argonne Natl Lab, Adv Photon Source, Lemont, IL 60439 USA.
RP Stoupin, S (reprint author), Argonne Natl Lab, Adv Photon Source, Lemont, IL 60439 USA.
EM s.antipov@euclidtechlabs.com
RI Butler, James/B-7965-2008
OI Butler, James/0000-0002-4794-7176
FU DOE SBIR program [DE-SC0013129]; US Department of Energy, Office of
Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Act 220 of
the Russian Government [14.B25.31.0021]; National Institute of General
Medical Sciences of the National Institutes of Health [9 P41 GM103622]
FX We are indebted to K.-J. Kim, Yu. V. Shvyd'ko, C. Jacobsen and A. Sandy
for helpful discussions on the topic of X-ray refractive optics. R.
Woods and K. Lang are acknowledged for technical support. Euclid
Techlabs LLC acknowledges support from DOE SBIR program grant No.
DE-SC0013129. Use of the Center for Nanoscale Materials, an Office of
Science user facility, was supported by the US Department of Energy,
Office of Science, Office of Basic Energy Sciences, under Contract No.
DE-AC02-06CH11357. 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. JEB acknowledges the
support of the Act 220 of the Russian Government (Agreement No.
14.B25.31.0021 with the host organization IAP RAS). BioCAT acknowledges
support by grant 9 P41 GM103622 from the National Institute of General
Medical Sciences of the National Institutes of Health.
NR 23
TC 4
Z9 4
U1 2
U2 20
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 2016
VL 23
BP 163
EP 168
DI 10.1107/S1600577515020639
PN 1
PG 6
WC Instruments & Instrumentation; Optics; Physics, Applied
SC Instruments & Instrumentation; Optics; Physics
GA DA1IG
UT WOS:000367548900022
PM 26698059
ER
PT J
AU Zhou, L
Idir, M
Bouet, N
Kaznatcheev, K
Huang, L
Vescovi, M
Dai, YF
Li, SY
AF Zhou, Lin
Idir, Mourad
Bouet, Nathalie
Kaznatcheev, Konstantine
Huang, Lei
Vescovi, Matthew
Dai, Yifan
Li, Shengyi
TI One-dimensional ion-beam figuring for grazing-incidence reflective
optics
SO JOURNAL OF SYNCHROTRON RADIATION
LA English
DT Article; Proceedings Paper
CT 2nd Workshop on FEL Photon Diagnostics, Instrumentation and Beamlines
Design (PhotonDiag)
CY JUN 08-10, 2015
CL Int Ctr Theoretical Phys, Trieste, ITALY
SP Elettra Sincrotrone Trieste, FELs EUROPE
HO Int Ctr Theoretical Phys
DE ion beam figuring; synchrotron optics; one-dimensional
ID REMOVAL FUNCTIONS
AB One-dimensional ion-beam figuring (1D-IBF) can improve grazing-incidence reflective optics, such as Kirkpatrick-Baez mirrors. 1D-IBF requires only one motion degree of freedom, which reduces equipment complexity, resulting in compact and low-cost IBF instrumentation. Furthermore, 1D-IBF is easy to integrate into a single vacuum system with other fabrication processes, such as a thin-film deposition. The NSLS-II Optical Metrology and Fabrication Group has recently integrated the 1D-IBF function into an existing thin-film deposition system by adding an RF ion source to the system. Using a rectangular grid, a 1D removal function needed to perform 1D-IBF has been produced. In this paper, demonstration experiments of the 1D-IBF process are presented on one spherical and two plane samples. The final residual errors on both plane samples are less than 1 nm r.m.s. The surface error on the spherical sample has been successfully reduced by a factor of 12. The results show that the 1D-IBF method is an effective method to process high-precision 1D synchrotron optics.
C1 [Zhou, Lin; Dai, Yifan; Li, Shengyi] Natl Univ Def Technol, Coll Mechatron Engn & Automat, Changsha 410073, Hunan, Peoples R China.
[Zhou, Lin; Idir, Mourad; Bouet, Nathalie; Kaznatcheev, Konstantine; Huang, Lei; Vescovi, Matthew] Brookhaven Natl Lab, NSLS 2, Upton, NY 11973 USA.
[Zhou, Lin; Dai, Yifan; Li, Shengyi] Hunan Key Lab Ultraprecis Machining Technol, Changsha 410073, Hunan, Peoples R China.
RP Idir, M (reprint author), Brookhaven Natl Lab, NSLS 2, POB 5000, Upton, NY 11973 USA.
EM midir@bnl.gov
OI Bouet, Nathalie/0000-0002-5816-9429
FU US Department of Energy, Office of Science, Office of Basic Energy
sciences [DE-AC-02-98CH10886]; Program for New Century Excellent Talents
in University [NCET-13-0165]; National Natural Science Foundation of
China [91323302]
FX This work was supported by the US Department of Energy, Office of
Science, Office of Basic Energy sciences, under contract No.
DE-AC-02-98CH10886. LZ was supported by the Program for New Century
Excellent Talents in University (No. NCET-13-0165) and the National
Natural Science Foundation of China (No. 91323302). The authors
acknowledge Ray Conley for his support during the beginning of this
project. The authors greatly appreciate the valuable suggestions and
specific comments of the different referees to improve this article.
NR 14
TC 1
Z9 1
U1 1
U2 13
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 2016
VL 23
BP 182
EP 186
DI 10.1107/S1600577515021621
PN 1
PG 5
WC Instruments & Instrumentation; Optics; Physics, Applied
SC Instruments & Instrumentation; Optics; Physics
GA DA1IG
UT WOS:000367548900025
PM 26698062
ER
PT J
AU Ross, S
Haji-Sheikh, M
Huntington, A
Kline, D
Lee, A
Li, YL
Rhee, J
Tarpley, M
Walko, DA
Westberg, G
Williams, G
Zou, HF
Landahl, E
AF Ross, Steve
Haji-Sheikh, Michael
Huntington, Andrew
Kline, David
Lee, Adam
Li, Yuelin
Rhee, Jehyuk
Tarpley, Mary
Walko, Donald A.
Westberg, Gregg
Williams, George
Zou, Haifeng
Landahl, Eric
TI X-ray characterization of a multichannel smart-pixel array detector
SO JOURNAL OF SYNCHROTRON RADIATION
LA English
DT Article; Proceedings Paper
CT 2nd Workshop on FEL Photon Diagnostics, Instrumentation and Beamlines
Design (PhotonDiag)
CY JUN 08-10, 2015
CL Int Ctr Theoretical Phys, Trieste, ITALY
SP Elettra Sincrotrone Trieste, FELs EUROPE
HO Int Ctr Theoretical Phys
DE X-ray detector; pixel array detector; CMOS ASIC
ID TIME; PILATUS; DIFFRACTION; DYNAMICS; CHIP
AB The Voxtel VX-798 is a prototype X-ray pixel array detector (PAD) featuring a silicon sensor photodiode array of 48 x 48 pixels, each 130 mu m x 130 mu m x 520 mu m thick, coupled to a CMOS readout application specific integrated circuit (ASIC). The first synchrotron X-ray characterization of this detector is presented, and its ability to selectively count individual X-rays within two independent arrival time windows, a programmable energy range, and localized to a single pixel is demonstrated. During our first trial run at Argonne National Laboratory's Advance Photon Source, the detector achieved a 60 ns gating time and 700 eV full width at half-maximum energy resolution in agreement with design parameters. Each pixel of the PAD holds two independent digital counters, and the discriminator for X-ray energy features both an upper and lower threshold to window the energy of interest discarding unwanted background. This smart-pixel technology allows energy and time resolution to be set and optimized in software. It is found that the detector linearity follows an isolated dead-time model, implying that megahertz count rates should be possible in each pixel. Measurement of the line and point spread functions showed negligible spatial blurring. When combined with the timing structure of the synchrotron storage ring, it is demonstrated that the area detector can perform both picosecond time-resolved X-ray diffraction and fluorescence spectroscopy measurements.
C1 [Ross, Steve; Haji-Sheikh, Michael; Westberg, Gregg] No Illinois Univ, Dept Elect Engn, De Kalb, IL 60115 USA.
[Huntington, Andrew; Lee, Adam; Rhee, Jehyuk; Williams, George; Zou, Haifeng] Voxtel Inc, Beaverton, OR 97006 USA.
[Kline, David; Li, Yuelin; Walko, Donald A.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Tarpley, Mary; Landahl, Eric] De Paul Univ, Dept Phys, Chicago, IL 60614 USA.
RP Landahl, E (reprint author), De Paul Univ, Dept Phys, Chicago, IL 60614 USA.
EM elandahl@depaul.edu
FU US Department of Energy (DOE) Small Business Innovative Research program
[DE-SC0004235]; US DOE [DE-AC02-06CH11357]; College of Engineering and
Engineering Technology, Northern Illinois University
FX Detector development by Voxtel Inc. was supported by the US Department
of Energy (DOE) Small Business Innovative Research program contract
DE-SC0004235. Use of beamlines 7-ID-C and 8-ID-I of the Advanced Photon
Source, an Office of Science User Facility operated for the US DOE
Office of Science by Argonne National Laboratory, was supported by the
US DOE under Contract No. DE-AC02-06CH11357. The MRDL facility is
supported by the College of Engineering and Engineering Technology,
Northern Illinois University.
NR 26
TC 2
Z9 2
U1 3
U2 3
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 2016
VL 23
BP 196
EP 205
DI 10.1107/S1600577515018044
PN 1
PG 10
WC Instruments & Instrumentation; Optics; Physics, Applied
SC Instruments & Instrumentation; Optics; Physics
GA DA1IG
UT WOS:000367548900027
PM 26698064
ER
PT J
AU Skevas, T
Hayden, NJ
Swinton, SM
Lupi, F
AF Skevas, Theodoros
Hayden, Noel J.
Swinton, Scott M.
Lupi, Frank
TI Landowner willingness to supply marginal land for bioenergy production
SO LAND USE POLICY
LA English
DT Article
DE Bioenergy; Land use; Marginal land; Michigan; Survey
ID CROPS; MODEL; SWITCHGRASS; ATTITUDES; BIOFUELS; PRICES
AB This study elicits willingness to supply marginal land for biomass cultivation in Southern Lower Michigan. Most of the surveyed landowners are not interested in renting land for bioenergy crop production. Those who are interested offer relatively little land for bioenergy crops, even at rental rates three times current levels. Willing landowners would prefer to grow a significant portion of these crops on cropland rather than non-crop, marginal land. Hence, the area of marginal land that owners are willing to supply for bioenergy crop production falls far short of area estimates based on remote sensing that ignore landowner preferences. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Skevas, Theodoros; Hayden, Noel J.; Swinton, Scott M.; Lupi, Frank] Michigan State Univ, Dept Agr Food & Resource Econ, E Lansing, MI 48824 USA.
[Skevas, Theodoros; Hayden, Noel J.; Swinton, Scott M.] Michigan State Univ, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA.
RP Skevas, T (reprint author), Univ Florida, Gulf Coast Res & Educ Ctr, 14625 Co Rd 672, Wimauma, FL 32611 USA.
EM skevast@ufl.edu
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 30
TC 6
Z9 6
U1 5
U2 12
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 JAN
PY 2016
VL 50
BP 507
EP 517
DI 10.1016/j.landusepol.2015.09.027
PG 11
WC Environmental Studies
SC Environmental Sciences & Ecology
GA DA4FO
UT WOS:000367755700046
ER
PT J
AU Jiang, YY
Rocha, AV
Rastetter, EB
Shaver, GR
Mishra, U
Zhuang, QL
Kwiatkowski, BL
AF Jiang, Yueyang
Rocha, Adrian V.
Rastetter, Edward B.
Shaver, Gaius R.
Mishra, Umakant
Zhuang, Qianlai
Kwiatkowski, Bonnie L.
TI C-N-P interactions control climate driven changes in regional patterns
of C storage on the North Slope of Alaska
SO LANDSCAPE ECOLOGY
LA English
DT Article
DE Climate warming; Nutrient budget; C balance; Nutrient limitation;
C-nutrient interaction
ID ARCTIC TUNDRA ECOSYSTEMS; SOIL ORGANIC-MATTER; LONG-TERM NUTRIENT;
CARBON STORAGE; ENVIRONMENTAL-FACTORS; SPECIES COMPOSITION; NITROGEN
DYNAMICS; GLOBAL CHANGE; PLANT-GROWTH; CO2 FLUX
AB As climate warms, changes in the carbon (C) balance of arctic tundra will play an important role in the global C balance. The C balance of tundra is tightly coupled to the nitrogen (N) and phosphorus (P) cycles because soil organic matter is the principal source of plant-available nutrients and determines the spatial variation of vegetation biomass across the North Slope of Alaska. Warming will accelerate these nutrient cycles, which should stimulate plant growth.
We applied the multiple element limitation model to investigate the spatial distribution of soil organic matter and vegetation on the North Slope of Alaska and examine the effects of changes in N and P cycles on tundra C budgets under climate warming.
The spatial variation of vegetation biomass on the North Slope is mainly determined by nutrient mineralization, rather than air temperature. Our simulations show substantial increases in N and P mineralization with climate warming and consequent increases in nutrient availability to plants. There are distinctly different changes in N versus P cycles in response to warming. N is lost from the region because the warming-induced increase in N mineralization is in excess of plant uptake. However, P is more tightly cycled than N and the small loss of P under warming can be compensated by entrainment of recently weathered P into the ecosystem cycle. The increase in nutrient availability results in larger C gains in vegetation than C losses from soils and hence a net accumulation of C in the ecosystems.
The ongoing climate warming in Arctic enhances mineralization and leads to a net transfer of nutrient from soil organic matter to vegetation, thereby stimulating tundra plant growth and increased C sequestration in the tundra ecosystems. The C balance of the region is predominantly controlled by the internal nutrient cycles, and the external nutrient supply only exerts a minor effect on C budget.
C1 [Jiang, Yueyang] Oregon State Univ, Dept Forest Ecosyst & Soc, Corvallis, OR 97331 USA.
[Jiang, Yueyang; Rastetter, Edward B.; Shaver, Gaius R.; Kwiatkowski, Bonnie L.] Ctr Ecosyst, Marine Biol Lab, Woods Hole, MA 02543 USA.
[Rocha, Adrian V.] Univ Notre Dame, Dept Biol, Notre Dame, IN 46556 USA.
[Mishra, Umakant] Argonne Natl Lab, Div Environm Sci, Argonne, IL 60439 USA.
[Zhuang, Qianlai] Purdue Univ, Dept Earth Atmospher & Planetary Sci, W Lafayette, IN 47907 USA.
RP Jiang, YY (reprint author), Oregon State Univ, Dept Forest Ecosyst & Soc, Corvallis, OR 97331 USA.
EM yueyang.jiang@oregonstate.edu
OI Rastetter, Edward/0000-0002-8620-5431; Kwiatkowski,
Bonnie/0000-0003-0158-9753
FU NSF [DEB-1026843, EF-1065587, OPP-1107707]
FX We gratefully acknowledge support from NSF Grants # DEB-1026843,
EF-1065587, and OPP-1107707 to the Marine Biological Laboratory, Woods
Hole, MA. We acknowledge the use of Alaska Arctic Bioclimate Subzones
map, Alaska Arctic Biomass map, and Alaska Arctic Vegetation map derived
from the Toolik-Arctic Geobotanical Atlas (http://www.arcticatlas.org/).
NR 70
TC 1
Z9 1
U1 9
U2 34
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0921-2973
EI 1572-9761
J9 LANDSCAPE ECOL
JI Landsc. Ecol.
PD JAN
PY 2016
VL 31
IS 1
BP 195
EP 213
DI 10.1007/s10980-015-0266-5
PG 19
WC Ecology; Geography, Physical; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Physical Geography; Geology
GA DA2AR
UT WOS:000367598200015
ER
PT J
AU Yuan, JY
Cheriyadat, AM
AF Yuan, Jiangye
Cheriyadat, Anil M.
TI Image feature based GPS trace filtering for road network generation and
road segmentation
SO MACHINE VISION AND APPLICATIONS
LA English
DT Article
DE GPS; Aerial image; Road map; Segmentation
ID EXTRACTION
AB We propose a new method to infer road networks from GPS trace data and accurately segment road regions in high-resolution aerial images. Unlike previous efforts that rely on GPS traces alone, we exploit image features to infer road networks from noisy trace data. The inferred road network is used to guide road segmentation. We show that the number of image segments spanned by the traces and the trace orientation validated with image features are important attributes for identifying GPS traces on road regions. Based on filtered traces , we construct road networks and integrate them with image features to segment road regions. Our experiments show that the proposed method produces more accurate road networks than the leading method that uses GPS traces alone, and also achieves high accuracy in segmenting road regions even with very noisy GPS data.
C1 [Yuan, Jiangye; Cheriyadat, Anil M.] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37830 USA.
RP Yuan, JY (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37830 USA.
EM yuanj@ornl.gov
FU U.S. Department of Energy [DE-AC05-00OR22725]
FX This manuscript has been authored by employees of UT-Battelle, LLC,
under contract DE-AC05-00OR22725 with the U.S. Department of Energy.
Accordingly, 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.
NR 27
TC 0
Z9 0
U1 4
U2 11
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0932-8092
EI 1432-1769
J9 MACH VISION APPL
JI Mach. Vis. Appl.
PD JAN
PY 2016
VL 27
IS 1
BP 1
EP 12
DI 10.1007/s00138-015-0722-x
PG 12
WC Computer Science, Artificial Intelligence; Computer Science,
Cybernetics; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA DA4XB
UT WOS:000367804800001
ER
PT J
AU Bozovic, I
AF Bozovic, Ivan
TI HIGH-TEMPERATURE SUPERCONDUCTIVITY A conventional conundrum
SO NATURE PHYSICS
LA English
DT News Item
ID LAYER FESE FILMS; SRTIO3
AB High-temperature superconductivity in ultrathin films of iron selenide deposited on strontium titanate has been attributed to various exotic mechanisms. New experiments indicate that it may be conventional, with broader implications.
C1 [Bozovic, Ivan] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Bozovic, Ivan] Yale Univ, Dept Appl Phys, New Haven, CT 06520 USA.
RP Bozovic, I (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM bozovic@bnl.gov
NR 10
TC 4
Z9 4
U1 10
U2 51
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 2016
VL 12
IS 1
BP 22
EP 24
DI 10.1038/nphys3626
PG 5
WC Physics, Multidisciplinary
SC Physics
GA DA5IA
UT WOS:000367835400010
ER
PT J
AU Spethmann, N
Kohler, J
Schreppler, S
Buchmann, L
Stamper-Kurn, DM
AF Spethmann, Nicolas
Kohler, Jonathan
Schreppler, Sydney
Buchmann, Lukas
Stamper-Kurn, Dan M.
TI Cavity-mediated coupling of mechanical oscillators limited by quantum
back-action
SO NATURE PHYSICS
LA English
DT Article
ID MICROWAVE FIELDS; OPTOMECHANICS; ATOMS; ENTANGLEMENT; TRANSITION; LIGHT
AB A complex quantum system can be constructed by coupling simple elements. For example, trapped-ion(1,2) or superconducting(3) quantum bits may be coupled by Coulomb interactions, mediated by the exchange of virtual photons. Alternatively, quantum objects can be made to emit and exchange real photons, providing either unidirectional coupling in cascaded geometries(4-6), or bidirectional coupling that is particularly strong when both objects are placed within a common electromagnetic resonator(7). However, in such an open system, the capacity of a coupling channel to convey quantum information or generate entanglement may be compromised by photon loss(8). Here, we realize phase-coherent interactions between two addressable, spatially separated, near-groundstate mechanical oscillators within a driven optical cavity. We observe the quantum back-action noise imparted by the optical coupling resulting in correlated mechanical fluctuations of the two oscillators. Our results illustrate challenges and opportunities of coupling quantum objects with light for applications of quantum cavity optomechanics(8-14).
C1 [Spethmann, Nicolas; Kohler, Jonathan; Schreppler, Sydney; Buchmann, Lukas; Stamper-Kurn, Dan M.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Spethmann, Nicolas] Tech Univ Kaiserslautern, Fachbereich Phys, D-67663 Kaiserslautern, Germany.
[Stamper-Kurn, Dan M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Spethmann, N (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
EM spethmann@berkeley.edu
OI Buchmann, Lukas/0000-0002-2527-6789; Kohler,
Jonathan/0000-0003-3881-1514
FU Air Force Office of Scientific Research; NSF; Marie Curie International
Outgoing Fellowship; US Department of Defense through National Defense
Science and Engineering Graduate Fellowship Program; Swiss National
Science Foundation
FX This work was supported by the Air Force Office of Scientific Research
and NSF. N.S. was supported by a Marie Curie International Outgoing
Fellowship, J.K. and S.S. by the US Department of Defense through the
National Defense Science and Engineering Graduate Fellowship Program,
and L.B. by the Swiss National Science Foundation.
NR 39
TC 6
Z9 6
U1 4
U2 9
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 2016
VL 12
IS 1
BP 27
EP U53
DI 10.1038/NPHYS3515
PG 8
WC Physics, Multidisciplinary
SC Physics
GA DA5IA
UT WOS:000367835400014
ER
PT J
AU Kim, YK
Sung, NH
Denlinger, JD
Kim, BJ
AF Kim, Y. K.
Sung, N. H.
Denlinger, J. D.
Kim, B. J.
TI Observation of a d-wave gap in electron-doped Sr2IrO4
SO NATURE PHYSICS
LA English
DT Article
ID HIGH-TEMPERATURE SUPERCONDUCTORS; PARTICLE; PHASE; STATE
AB High-temperature superconductivity in cuprates emerges out of a highly enigmatic 'pseudogap' metal phase. The mechanism of high-temperature superconductivity is probably encrypted in the elusive relationship between the two phases, which spectroscopically is manifested as Fermi arcs-disconnected segments of zero-energy states-collapsing into d-wave point nodes upon entering the superconducting phase. Here, we reproduce this distinct cuprate phenomenology in the 5d transition-metal oxide Sr2IrO4. Using angle-resolved photo-emission, we show that the clean, low-temperature phase of 6-8% electron-doped Sr2IrO4 has gapless excitations only at four isolated points in the Brillouin zone, with a predominant d-wave symmetry of the gap. Our work thus establishes a connection between the low-temperature d-wave instability and the previously reported high-temperature Fermi arcs in electron-doped Sr2IrO4 (ref. 1). Although the physical origin of the d-wave gap remains to be understood, Sr2IrO4 is the first non-cuprate material to spectroscopically reproduce the complete phenomenology of the cuprates, thus offering a new material platform to investigate the relationship between the pseudogap and the d-wave gap.
C1 [Kim, Y. K.; Denlinger, J. D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Kim, Y. K.] Inst for Basic Sci Korea, Ctr Correlated Electron Syst, Seoul 151742, South Korea.
[Sung, N. H.; Kim, B. J.] Seoul Natl Univ, Dept Phys & Astron, Seoul 151747, South Korea.
[Sung, N. H.; Kim, B. J.] Max Planck Inst Solid State Res, D-70569 Stuttgart, Germany.
RP Kim, YK (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
EM bjkim@fkf.mpg.de
RI Kim, Yeong Kwan/L-8207-2016
FU Office of Science, Office of Basic Energy Sciences, of US Department of
Energy [DE-AC02-05CH11231]; [IBS-R009-D1]
FX We acknowledge helpful discussions with C. Kim, G. Khaliullin, B.
Keimer, M. Le Tacon, G. Jackeli, J. F. Mitchell, M. Norman and J. W.
Allen. We thank B. Y. Kim for technical assistance. The Advanced Light
Source is supported by the Director, Office of Science, Office of Basic
Energy Sciences, of the US Department of Energy under Contract No.
DE-AC02-05CH11231. This work was supported by IBS-R009-D1.
NR 38
TC 38
Z9 38
U1 19
U2 54
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 2016
VL 12
IS 1
BP 37
EP U65
DI 10.1038/NPHYS3503
PG 6
WC Physics, Multidisciplinary
SC Physics
GA DA5IA
UT WOS:000367835400016
ER
PT J
AU Kemper, JB
Vafek, O
Betts, JB
Balakirev, FF
Hardy, WN
Liang, RX
Bonn, DA
Boebinger, GS
AF Kemper, J. B.
Vafek, O.
Betts, J. B.
Balakirev, F. F.
Hardy, W. N.
Liang, Ruixing
Bonn, D. A.
Boebinger, G. S.
TI Thermodynamic signature of a magnetic-field-driven phase transition
within the superconducting state of an underdoped cuprate
SO NATURE PHYSICS
LA English
DT Article
ID HIGH-TEMPERATURE SUPERCONDUCTOR; D-WAVE SUPERCONDUCTORS;
DENSITY-OF-STATES; YBA2CU3O6+X; HEAT; DOME
AB More than a quarter century after the discovery of the high-temperature superconductor (HTS) YBa2Cu3O6+delta (YBCO; ref. 1), studies continue to uncover complexity in its phase diagram. In addition to HTS and the pseudogap(2,3), there is growing evidence for multiple phases with boundaries which are functions of temperature (T), doping (p) and magnetic field(4-8). Here we report the low-temperature electronic specific heat (C-elec) of YBa2Cu3O6.43 and YBa2Cu3O6.47 (p = 0.076 and 0.084) up to a magnetic field (H) of 34.5 T, a poorly understood region of the underdoped H-T-p phase space. We observe two regimes in the low-temperature limit: below a characteristic magnetic field H' approximate to 12-15 T, C-elec/T obeys an expected H-1/2 behaviour(9,10); however, near H' there is a sharp inflection followed by a linear-in-H behaviour. H' rests deep within the superconducting phase and, thus, the linear-in-H behaviour is observed in the zero-resistance regime(11). In the limit of zero temperature, C-elec/T is proportional to the zero-energy electronic density of states. At one of our dopings, the inflection is sharp only at lowest temperatures, and we thus conclude that this inflection is evidence of a magnetic-field-driven quantum phase transition.
C1 [Kemper, J. B.; Vafek, O.; Boebinger, G. S.] Florida State Univ, Dept Phys, Tallahassee, FL 32310 USA.
[Kemper, J. B.; Vafek, O.; Boebinger, G. S.] Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA.
[Betts, J. B.; Balakirev, F. F.] Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA.
[Hardy, W. N.; Liang, Ruixing; Bonn, D. A.] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z4, Canada.
[Hardy, W. N.; Liang, Ruixing; Bonn, D. A.] Canadian Inst Adv Res, Toronto, ON M5G 1Z8, Canada.
RP Kemper, JB (reprint author), Florida State Univ, Dept Phys, Tallahassee, FL 32310 USA.
EM jonathon.kemper@gmail.com
FU National Science Foundation [DMR-1157490]; State of Florida; US
Department of Energy; Natural Science and Engineering Research Council
of Canada; Canadian Institute for Advanced Research
FX The authors thank S. Kivelson, R. Baumbach, A. Kapitulnik, M. Norman, B.
Ramshaw, A. Shekhter, J. Sonier and S. Riggs for discussions and
commentary on the manuscript, as well as A. Migliori for discussions on
the experimental techniques. J.B.K. thanks C. Moir for assistance during
experiments. A portion of this work was performed at the National High
Magnetic Field Laboratory, which is supported by National Science
Foundation Cooperative Agreement No. DMR-1157490, the State of Florida,
and the US Department of Energy. Work at the University of British
Columbia was supported by the Natural Science and Engineering Research
Council of Canada and the Canadian Institute for Advanced Research.
NR 30
TC 4
Z9 4
U1 8
U2 20
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 2016
VL 12
IS 1
BP 47
EP 51
DI 10.1038/NPHYS3502
PG 5
WC Physics, Multidisciplinary
SC Physics
GA DA5IA
UT WOS:000367835400018
ER
PT J
AU Jau, YY
Hankin, AM
Keating, T
Deutsch, IH
Biedermann, GW
AF Jau, Y. -Y.
Hankin, A. M.
Keating, T.
Deutsch, I. H.
Biedermann, G. W.
TI Entangling atomic spins with a Rydberg-dressed spin-flip blockade
SO NATURE PHYSICS
LA English
DT Article
ID QUANTUM; ENTANGLEMENT; CIRCUITS; GATES
AB Controlling the quantum entanglement between parts of a many-body system is key to unlocking the power of quantum technologies such as quantum computation, high-precision sensing, and the simulation of many-body physics. The spin degrees of freedom of ultracold neutral atoms in their ground electronic state provide a natural platform for such applications thanks to their long coherence times and the ability to control them with magneto-optical fields. However, the creation of strong coherent coupling between spins has been challenging. Here we demonstrate a strong and tunable Rydberg-dressed interaction between spins of individually trapped caesium atoms with energy shifts of order 1 MHz in units of Planck's constant. This interaction leads to a ground-state spin-flip blockade, whereby simultaneous hyperfine spin flips of two atoms are inhibited owing to their mutual interaction. We employ this spin-flip blockade to rapidly produce single-step Bell-state entanglement between two atoms with a fidelity >= 81(2)%.
C1 [Jau, Y. -Y.; Hankin, A. M.; Keating, T.; Deutsch, I. H.; Biedermann, G. W.] Sandia Natl Labs, Albuquerque, NM 87123 USA.
[Jau, Y. -Y.; Hankin, A. M.; Keating, T.; Deutsch, I. H.; Biedermann, G. W.] Univ New Mexico, Ctr Quantum Informat & Control CQuIC, Albuquerque, NM 87131 USA.
RP Jau, YY (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA.
EM gbieder@sandia.gov
RI Deutsch, Ivan/D-1882-2009
OI Deutsch, Ivan/0000-0002-1733-5750
FU Laboratory Directed Research and Development programme at Sandia
National Laboratories; National Science Foundation's Center for Quantum
Information and Control [NSF-1212445]
FX We would like to thank L. P. Parazzoli and C. W. Chou for their early
work on the experimental system. We also thank J. Lee for comments on
the manuscript. This work was supported by the Laboratory Directed
Research and Development programme at Sandia National Laboratories and
through the National Science Foundation's Center for Quantum Information
and Control NSF-1212445.
NR 34
TC 28
Z9 28
U1 9
U2 18
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 2016
VL 12
IS 1
BP 71
EP 74
DI 10.1038/NPHYS3487
PG 4
WC Physics, Multidisciplinary
SC Physics
GA DA5IA
UT WOS:000367835400022
ER
PT J
AU Ugeda, MM
Bradley, AJ
Zhang, Y
Onishi, S
Chen, Y
Ruan, W
Ojeda-Aristizabal, C
Ryu, H
Edmonds, MT
Tsai, HZ
Riss, A
Mo, SK
Lee, DH
Zettl, A
Hussain, Z
Shen, ZX
Crommie, MF
AF Ugeda, Miguel M.
Bradley, Aaron J.
Zhang, Yi
Onishi, Seita
Chen, Yi
Ruan, Wei
Ojeda-Aristizabal, Claudia
Ryu, Hyejin
Edmonds, Mark T.
Tsai, Hsin-Zon
Riss, Alexander
Mo, Sung-Kwan
Lee, Dunghai
Zettl, Alex
Hussain, Zahid
Shen, Zhi-Xun
Crommie, Michael F.
TI Characterization of collective ground states in single-layer NbSe2
SO NATURE PHYSICS
LA English
DT Article
ID SCANNING-TUNNELING-MICROSCOPY; CHARGE-DENSITY WAVES; SUPERCONDUCTIVITY;
TRANSITION; MECHANISM; CRYSTALS; 2H-NBSE2; ORDER
AB Layered transition metal dichalcogenides are ideal systems for exploring the effects of dimensionality on correlated electronic phases such as charge density wave (CDW) order and superconductivity. In bulk NbSe2 a CDW sets in at T-CDW = 33 K and superconductivity sets in at T-c = 7.2 K. Below T-c these electronic states coexist but their microscopic formation mechanisms remain controversial. Here we present an electronic characterization study of a single two-dimensional (2D) layer of NbSe2 by means of low-temperature scanning tunnelling microscopy/spectroscopy (STM/STS), angle-resolved photoemission spectroscopy (ARPES), and electrical transport measurements. We demonstrate that 3 x 3 CDW order in NbSe2 remains intact in two dimensions. Superconductivity also still remains in the 2D limit, but its onset temperature is depressed to 1.9 K. Our STS measurements at 5 K reveal a CDW gap of Delta = 4 meV at the Fermi energy, which is accessible by means of STS owing to the removal of bands crossing the Fermi level for a single layer. Our observations are consistent with the simplified (compared to bulk) electronic structure of single-layer NbSe2, thus providing insight into CDW formation and superconductivity in this model strongly correlated system.
C1 [Ugeda, Miguel M.; Bradley, Aaron J.; Onishi, Seita; Chen, Yi; Ruan, Wei; Ojeda-Aristizabal, Claudia; Edmonds, Mark T.; Tsai, Hsin-Zon; Riss, Alexander; Lee, Dunghai; Zettl, Alex; Crommie, Michael F.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Ugeda, Miguel M.] CIC nanoGUNE, Donostia San Sebastian 20018, Spain.
[Ugeda, Miguel M.] Basque Fdn Sci, Ikerbasque, Bilbao 48011, Spain.
[Zhang, Yi; Ryu, Hyejin; Mo, Sung-Kwan; Hussain, Zahid] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Zhang, Yi; Shen, Zhi-Xun] Stanford Inst Mat & Energy Sci, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA.
[Zhang, Yi] Nanjing Univ, Sch Phys, Collaborat Innovat Ctr Adv Microstruct, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China.
[Ruan, Wei] Tsinghua Univ, Dept Phys, State Key Lab Low Dimens Quantum Phys, Beijing 100084, Peoples R China.
[Ojeda-Aristizabal, Claudia; Zettl, Alex; Crommie, Michael F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Ojeda-Aristizabal, Claudia] Calif State Univ Long Beach, Dept Phys & Astron, Long Beach, CA 90840 USA.
[Edmonds, Mark T.] Monash Univ, Sch Phys & Astron, Clayton, Vic, Australia.
[Riss, Alexander] Vienna Univ Technol, Inst Appl Phys, A-1040 Vienna, Austria.
[Zettl, Alex; Crommie, Michael F.] Univ Calif Berkeley, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.
[Zettl, Alex; Crommie, Michael F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Shen, Zhi-Xun] Stanford Univ, Geballe Lab Adv Mat, Dept Phys, Stanford, CA 94305 USA.
[Shen, Zhi-Xun] Stanford Univ, Geballe Lab Adv Mat, Dept Appl Phys, Stanford, CA 94305 USA.
RP Ugeda, MM (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
EM mmugeda@berkeley.edu; crommie@berkeley.edu
RI Mo, Sung-Kwan/F-3489-2013; Zhang, Yi/J-9025-2013; Tsai,
Hsin-Zon/J-1682-2016; Moreno Ugeda, Miguel/N-3006-2016; Zettl,
Alex/O-4925-2016; nanoGUNE, CIC/A-2623-2015;
OI Mo, Sung-Kwan/0000-0003-0711-8514; Zhang, Yi/0000-0003-1204-8717; Tsai,
Hsin-Zon/0000-0003-2097-0170; Zettl, Alex/0000-0001-6330-136X; Riss,
Alexander/0000-0002-3212-7925
FU Office of Energy Research, Materials Sciences and Engineering Division,
of the US Department of Energy (DOE) [DE-AC02-05CH11231]; National
Science Foundation [DMR-1206512]; DOE BES [DE-AC02-05CH11231]; Max
Planck Korea/POSTECH Research Initiative of NRF, Korea.; ARC Laureate
Fellowship [FL120100038]; Austrian Science Fund (FWF) [J3026-N16]
FX Research supported in part by the Director, Office of Energy Research,
Materials Sciences and Engineering Division, of the US Department of
Energy (DOE), under grant DE-AC02-05CH11231 supporting the sp2-bonded
Materials Program (STM imaging and transport), and by the National
Science Foundation under award # DMR-1206512 (STS spectroscopic
analysis). Work at the ALS is supported by DOE BES under Contract No.
DE-AC02-05CH11231. H.R. acknowledges support from Max Planck
Korea/POSTECH Research Initiative of NRF, Korea. M.T.E. is supported by
the ARC Laureate Fellowship project (FL120100038). A.R. acknowledges
fellowship support by the Austrian Science Fund (FWF): J3026-N16.
NR 35
TC 27
Z9 27
U1 45
U2 136
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 2016
VL 12
IS 1
BP 92
EP U126
DI 10.1038/NPHYS3527
PG 7
WC Physics, Multidisciplinary
SC Physics
GA DA5IA
UT WOS:000367835400026
ER
PT J
AU Noble, PJ
Ball, GI
Zimmerman, SH
Maloney, J
Smith, SB
Kent, G
Adams, KD
Karlin, RE
Driscoll, N
AF Noble, Paula J.
Ball, G. Ian
Zimmerman, Susan H.
Maloney, Jillian
Smith, Shane B.
Kent, Graham
Adams, Kenneth D.
Karlin, Robert E.
Driscoll, Neal
TI Holocene paleoclimate history of Fallen Leaf Lake, CA., from
geochemistry and sedimentology of well-dated sediment cores
SO QUATERNARY SCIENCE REVIEWS
LA English
DT Article
DE Holocene; Lake cores; Geochemistry; Paleoclimate; Lake Tahoe basin;
Great Basin; Neopluvial
ID DOLLAR POINT FAULT; SIERRA-NEVADA; TAHOE BASIN; PYRAMID LAKE; QUATERNARY
HISTORY; CALIFORNIA-NEVADA; EXTENDED DROUGHT; LATE PLEISTOCENE; WALKER
LAKE; GREAT-BASIN
AB Millennial-scale shifts in aridity patterns have been documented during the Holocene in the western United States, yet the precise timing, severity, and regional extent of these shifts prompts further study. We present lake sediment core data from Fallen Leaf Lake, a subalpine system at the southern end of the Lake Tahoe basin for which 80% of the contemporary inflow is derived from snowpack delivered by Pacific frontal storm systems. A high quality age model has been constructed using C-14 ages on plant macrofossils, Pb-210, and the Tsoyowata tephra datum (7.74-7.95 cal kyr BP). One core captures the transition from the Late Tioga-younger Dryas glaciolacustrine package to laminated opaline clay at 11.48 cal kyr BR Early Holocene sedimentation rates are relatively high (similar to 1.9 mm/year) and cooler winter temperatures are inferred by the presence of pebbles interpreted to be transported out into the lake via shore ice. There is a geochemically distinct interval from similar to 4.71 to 3.65 cal kyr BP that is interpreted as a late Holocene neopluvial, characterized by depleted delta C-13 and lower C:N that point to reduced runoff of terrigenous organic matter, increased winter precipitation, and increased algal productivity. The largest Holocene signal in the cores occurs at the end of the neopluvial, at 3.65 cal kyr BP, and marks a shift into a climate state with variable precipitation, yet is overall more arid than the neopluvial. This new climate state persists for similar to 3 ka, until the Little Ice Age. Low sedimentation rates (0.5 mm/year), the homogeneous opaline sediment, and steadily increasing contributions of terrestrial vs. algal organic matter in these cores suggest that the lowstand state of Fallen Leaf Lake may have been the norm from 3.65 to 0.55 cal kyr BP, punctuated by short term high precipitation years or multi-year intervals capable of rapid short duration lake level rise. Fallen Leaf Lake is strongly influenced by changes in winter precipitation and temperature, manifested largely by the geochemical proxies, and highlights unique advantages of subalpine lakes in regional paleoclimate reconstructions. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Noble, Paula J.; Smith, Shane B.; Karlin, Robert E.] Univ Nevada, Dept Geol Sci & Engn, Reno, NV 89557 USA.
[Ball, G. Ian] Chevron Energy Technol Co, Houston, TX 77002 USA.
[Zimmerman, Susan H.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA.
[Maloney, Jillian] San Diego State Univ, Dept Geol Sci, San Diego, CA 92182 USA.
[Kent, Graham] Univ Nevada, Nevada Seismol Lab, Reno, NV 89557 USA.
[Adams, Kenneth D.] Desert Res Inst, Div Earth & Ecosyst Sci, Reno, NV 89512 USA.
[Kent, Graham; Driscoll, Neal] Univ Calif San Diego, Scripps Inst Oceanog, Geosci Res Div, La Jolla, CA 92093 USA.
RP Noble, PJ (reprint author), Univ Nevada, Dept Geol Sci & Engn, Reno, NV 89557 USA.
EM noblepj@unr.edu
FU National Science Foundation [EAR-127499, OCE-0649410]; U.S. Geological
Survey National Earthquake Hazards Reduction Program [10HQPA1000,
06HQGR0064, 02HQGR0072]; Lawrence Livermore National Laboratory,
Directed Research and Development [09-ERI-003]; Department of Defense
(DoD) National Defense Science and Engineering Graduate (NDSEG) [32 CFR
168a]; Edna Bailey Sussman Foundation
FX We thank Anders Noren and Kristina Brady (LRC, Univ. MN) who deployed
the Kullenberg coring system at FLL, directed our coring operations, and
provided lab training and support at the LRC. Thanks also to LRC staff
members A. Myrbo, R. O'Grady, and J. Heck who provided helpful advice
during core processing. Thanks to M. Rosen for logistical support and
advice during our planning stages, to L. Stratton for coordinating
coring operations and help with initial core processing, to J. Kleppe
for additional logistical advice and lake access. This project was
funded by National Science Foundation grants EAR-127499 and OCE-0649410,
U.S. Geological Survey National Earthquake Hazards Reduction Program
grants 10HQPA1000, 06HQGR0064, and 02HQGR0072, Lawrence Livermore
National Laboratory, Directed Research and Development grant 09-ERI-003,
Department of Defense (DoD) National Defense Science and Engineering
Graduate (NDSEG) Fellowship 32 CFR 168a, and the Edna Bailey Sussman
Foundation.
NR 65
TC 0
Z9 0
U1 5
U2 16
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0277-3791
J9 QUATERNARY SCI REV
JI Quat. Sci. Rev.
PD JAN 1
PY 2016
VL 131
BP 193
EP 210
DI 10.1016/j.quascirev.2015.10.037
PN A
PG 18
WC Geography, Physical; Geosciences, Multidisciplinary
SC Physical Geography; Geology
GA DA0MC
UT WOS:000367490200013
ER
PT J
AU Wang, WC
Tao, L
AF Wang, Wei-Cheng
Tao, Ling
TI Bio-jet fuel conversion technologies
SO RENEWABLE & SUSTAINABLE ENERGY REVIEWS
LA English
DT Review
DE Bio-jet fuel; Alcohol-to-jet; Hydro-processed renewable jet;
Fischer-Tropsch; Catalytic upgrading sugars to hydrocarbons; Direct
sugar to hydrocarbon
ID LIFE-CYCLE ASSESSMENT; FISCHER-TROPSCH PROCESS; DILUTE SULFURIC-ACID;
WASTE COOKING OIL; TECHNOECONOMIC ANALYSIS; BIODIESEL PRODUCTION; FAST
PYROLYSIS; THERMOCHEMICAL CONVERSION; CLOSTRIDIUM-BEIJERINCKII;
ETHANOL-PRODUCTION
AB Biomass-derived jet (bio-jet) fuel has become a key element in the aviation industry's strategy to reduce operating costs and environmental impacts. Researchers from the oil-refining industry, the aviation industry, government, biofuel companies, agricultural organizations, and academia are working toward developing a commercially viable and sustainable process that produces a long-lasting renewable jet fuel with low production costs and low greenhouse emissions. This jet fuel, additionally, must meet ASTM International specifications and potentially be a 100% drop-in replacement for current petroleum jet fuel. In this study, the current technologies for producing renewable jet fuels, categorized by alcohols-to-jet, oil-to-jet, syngas-to-jet, and sugar-to-jet pathways are reviewed. The main challenges for each technology pathway, including conceptual process design, process economics and life-cycle assessment of greenhouse gas emissions are discussed. Although the feedstock price and availability and energy intensity of the process are significant barriers, biomass-derived jet fuel has the potential to replace a significant portion of conventional jet fuel required to meet commercial and military demand. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Wang, Wei-Cheng] Natl Cheng Kung Univ, Dept Aeronaut & Astronaut, Tainan 70101, Taiwan.
[Wang, Wei-Cheng] Natl Cheng Kung Univ, Res Ctr Energy Technol & Strategy, Tainan 70101, Taiwan.
[Tao, Ling] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Wang, WC (reprint author), Natl Cheng Kung Univ, Dept Aeronaut & Astronaut, 1 Univ Rd, Tainan 70101, Taiwan.
EM wilsonwang@mail.ncku.edu.tw
FU Ministry of Science and Technology, Taiwan [104-2628-E-006-007-MY3];
U.S. Department of Energy, Bioenergy Technologies Office
[DE-AC36-08GO28308]; National Renewable Energy Laboratory
FX The work was sponsored by the Ministry of Science and Technology,
Taiwan, through grant 104-2628-E-006-007-MY3 and also supported by the
U.S. Department of Energy, Bioenergy Technologies Office, under Contract
no. DE-AC36-08GO28308 with the National Renewable Energy Laboratory.
NR 242
TC 9
Z9 10
U1 37
U2 79
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 1364-0321
J9 RENEW SUST ENERG REV
JI Renew. Sust. Energ. Rev.
PD JAN
PY 2016
VL 53
BP 801
EP 822
DI 10.1016/j.rser.2015.09.016
PG 22
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels
SC Science & Technology - Other Topics; Energy & Fuels
GA DA4GL
UT WOS:000367758100056
ER
PT J
AU Youinou, GJ
AF Youinou, Gilles J.
TI Powering sustainable low-carbon economies: Some facts and figures
SO RENEWABLE & SUSTAINABLE ENERGY REVIEWS
LA English
DT Review
DE Renewable energy; Nuclear energy; Natural resources; CO2 emissions;
Costs
AB The latest report from the Intergovernmental Panel on Climate Change urges that global CO2 emissions from the power sector should be reduced by 90 percent or more below 2010 levels between 2040 and 2070. Such a reduction will most likely require greatly increasing the share of wind, solar, energy storage and nuclear energy in the energy mix in the next 40-50 years. This paper emphasizes the importance of developing large energy storage systems without which, wind and solar can only have a limited impact on CO2 emissions as it will depend mainly on the energy mix used during wind and solar down time. The large areas that are required would be challenging, but not unrealistic, as long as a solution for energy storage exists. Carbon capture and storage has considerable potential to reduce CO2 emissions from coal and gas power plants, but also from heavy industries such as cement and steel manufacturing. To give an idea of the scale of the required infrastructure, in the United States, coal and gas power plants emit approximately 2.4 billion tonnes of CO2 per year; whereas the US annual petroleum consumption is about 0.9 billion tonnes (6.9 billion barrels). This paper also emphasizes that uranium and thorium used in breeder reactors represent an almost infinite source of low-carbon energy. The issues associated with the management of nuclear wastes are real, but they are not the uniquely difficult issues perceived by the media, much of the public and by many politicians. Finally, the investment necessary to implement a wind and solar powered economy would very likely be higher than that necessary to implement a nuclear powered economy because of the much larger number of GWe required. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Youinou, Gilles J.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Youinou, GJ (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA.
EM gilles.youinou@inl.gov
NR 63
TC 4
Z9 4
U1 18
U2 67
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 1364-0321
J9 RENEW SUST ENERG REV
JI Renew. Sust. Energ. Rev.
PD JAN
PY 2016
VL 53
BP 1626
EP 1633
DI 10.1016/j.rser.2015.08.067
PG 8
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels
SC Science & Technology - Other Topics; Energy & Fuels
GA DA4GL
UT WOS:000367758100116
ER
PT J
AU Prill, D
Juhas, P
Billinge, SJL
Schmidt, MU
AF Prill, Dragica
Juhas, Pavol
Billinge, Simon J. L.
Schmidt, Martin U.
TI Towards solution and refinement of organic crystal structures by fitting
to the atomic pair distribution function
SO ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
LA English
DT Article
DE pair distribution function; organic crystal structures; structure
refinement; structure solution
ID RAY-POWDER DIFFRACTION; X-RAY; INTERATOMIC DISTANCES;
ELECTRON-DIFFRACTION; MOLECULAR STRUCTURE; NANOSTRUCTURE; NANOPARTICLES;
COMPONENTS; SOFTWARE; PROGRAM
AB A method towards the solution and refinement of organic crystal structures by fitting to the atomic pair distribution function (PDF) is developed. Approximate lattice parameters and molecular geometry must be given as input. The molecule is generally treated as a rigid body. The positions and orientations of the molecules inside the unit cell are optimized starting from random values. The PDF is obtained from carefully measured X-ray powder diffraction data. The method resembles 'real-space' methods for structure solution from powder data, but works with PDF data instead of the diffraction pattern itself. As such it may be used in situations where the organic compounds are not long-range-ordered, are poorly crystalline, or nanocrystalline. The procedure was applied to solve and refine the crystal structures of quinacridone (beta phase), naphthalene and allopurinol. In the case of allopurinol it was even possible to successfully solve and refine the structure in P1 with four independent molecules. As an example of a flexible molecule, the crystal structure of paracetamol was refined using restraints for bond lengths, bond angles and selected torsion angles. In all cases, the resulting structures are in excellent agreement with structures from single-crystal data.
C1 [Prill, Dragica; Schmidt, Martin U.] Goethe Univ Frankfurt, Inst Inorgan & Analyt Chem, D-60438 Frankfurt, Germany.
[Juhas, Pavol; Billinge, Simon J. L.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
[Billinge, Simon J. L.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA.
RP Billinge, SJL (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
EM sb2896@columbia.edu; m.schmidt@chemie.uni-frankfurt.de
RI Fachbereich14, Dekanat/C-8553-2015;
OI Juhas, Pavol/0000-0001-8751-4458
FU Laboratory Directed Research and Development (LDRD) (Complex Modelling)
at Brookhaven National Laboratory (BNL) [12-007]; US Department of
Energy [SC0012704]; US Department of Energy, Division of Materials
Sciences and Division of Chemical Sciences [DE-SC00112704]
FX The authors acknowledge the participation of Jan von Cosel and Benedikt
Kloss (both Goethe University) on this project. Data collection,
development of the DiffPy-CMI modelling software and PDF simulations
were supported by Laboratory Directed Research and Development (LDRD)
Program 12-007 (Complex Modelling) at Brookhaven National Laboratory
(BNL), which is supported by US Department of Energy through contract
SC0012704. X-ray experiments were carried out at the National
Synchrotron Light Source (NSLS) beamline X17A, at BNL. BNL is supported
by the US Department of Energy, Division of Materials Sciences and
Division of Chemical Sciences, DE-SC00112704.
NR 45
TC 2
Z9 2
U1 8
U2 27
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 2053-2733
J9 ACTA CRYSTALLOGR A
JI Acta Crystallogr. Sect. A
PD JAN
PY 2016
VL 72
BP 62
EP 72
DI 10.1107/S2053273315022457
PN 1
PG 11
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA CZ8UE
UT WOS:000367373800006
PM 26697868
ER
PT J
AU Angyal, A
Ilyas, Z
Hadadi, E
Johnston, J
Ariaans, M
Kraus, R
Wilson, H
Bauer, R
Rader, D
Francis, S
Kiss-Toth, E
AF Angyal, Adrienn
Ilyas, Zabran
Hadadi, Eva
Johnston, Jessica
Ariaans, Mark
Kraus, Ronald
Wilson, Heather
Bauer, Robert
Rader, Daniel
Francis, Sheila
Kiss-Toth, Endre
TI DOES MYELOID EXPRESSION OF TRIB1 REGULATE PLASMA LIPID LEVELS
SO ATHEROSCLEROSIS
LA English
DT Meeting Abstract
C1 [Angyal, Adrienn; Ilyas, Zabran; Hadadi, Eva; Johnston, Jessica; Ariaans, Mark; Wilson, Heather; Francis, Sheila; Kiss-Toth, Endre] Univ Sheffield, Dept Cardiovasc Sci, Sheffield, S Yorkshire, England.
[Kraus, Ronald] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
[Bauer, Robert; Rader, Daniel] Univ Penn, Cardiovasc Inst, Philadelphia, PA 19104 USA.
[Bauer, Robert; Rader, Daniel] Univ Penn, Inst Translat Med & Therapeut, Philadelphia, PA 19104 USA.
RI Kiss-Toth, Endre/A-8596-2014
OI Kiss-Toth, Endre/0000-0003-4406-4017
NR 0
TC 0
Z9 0
U1 0
U2 1
PU ELSEVIER IRELAND LTD
PI CLARE
PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000,
IRELAND
SN 0021-9150
EI 1879-1484
J9 ATHEROSCLEROSIS
JI Atherosclerosis
PD JAN
PY 2016
VL 244
BP E6
EP E7
PG 2
WC Cardiac & Cardiovascular Systems; Peripheral Vascular Disease
SC Cardiovascular System & Cardiology
GA CZ8UR
UT WOS:000367375100021
ER
PT J
AU Kim, S
No, K
Hong, S
AF Kim, Suran
No, Kwangsoo
Hong, Seungbum
TI Visualization of ion transport in Nafion using electrochemical strain
microscopy
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID ATOMIC-FORCE MICROSCOPY; FUEL-CELLS; PROTON CONDUCTIVITY; NANOSCALE;
MEMBRANES; ELECTROLYTES; ELECTRODES; ACTUATORS; DYNAMICS; TIME
AB The electromechanical response of a Nafion membrane immersed in water was probed using electrochemical strain microscopy (ESM) to redistribute protons and measure the resulting local strain that is caused by the movement of protons. We also measured the relaxation of protons from the surface resulting from proton diffusion. Using this technique, we can visualize and analyze the local strain change resulting from the redistribution and relaxation of hydrated protons.
C1 [Kim, Suran; Hong, Seungbum] Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA.
[Kim, Suran; No, Kwangsoo; Hong, Seungbum] Korea Adv Inst Sci & Technol, Dept Mat Sci & Engn, Daejeon 305701, South Korea.
RP No, K (reprint author), Korea Adv Inst Sci & Technol, Dept Mat Sci & Engn, Daejeon 305701, South Korea.
EM ksno@kaist.ac.kr; hong@anl.gov
RI Hong, Seungbum/B-7708-2009; No, Kwangsoo/C-1983-2011
OI Hong, Seungbum/0000-0002-2667-1983;
FU U.S. Department of Energy, Office of Science, Materials Sciences and
Engineering Division; National Research Foundation of Korea (NRF) -
Korean government [2015R1D1A1A01056983]; Brain Korea 21 Plus; KAIST
FX The work was supported by the U.S. Department of Energy, Office of
Science, Materials Sciences and Engineering Division. The work at KAIST
(S. K. and K. N., sample preparation and manuscript writing) was
supported by the National Research Foundation of Korea (NRF) funded by
the Korean government (No. 2015R1D1A1A01056983). S. K. acknowledges
support from Brain Korea 21 Plus and KAIST for the guest graduate
student program at Argonne National Laboratory.
NR 32
TC 3
Z9 3
U1 4
U2 15
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 2016
VL 52
IS 4
BP 831
EP 834
DI 10.1039/c5cc07412f
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA CZ8BA
UT WOS:000367323700045
PM 26579550
ER
PT J
AU Gao, Y
Shan, RQ
Lyra, S
Li, C
Wang, H
Chen, JH
Lu, TF
AF Gao, Yang
Shan, Ruiqin
Lyra, Sgouria
Li, Cong
Wang, Hai
Chen, Jacqueline H.
Lu, Tianfeng
TI On lumped-reduced reaction model for combustion of liquid fuels
SO COMBUSTION AND FLAME
LA English
DT Article
DE Model reduction; Lumped fuel cracking reactions; Bifurcation analysis;
Direct numerical simulation; n-Dodecane; n-Butane
ID PERFECTLY STIRRED REACTORS; N-DODECANE OXIDATION; REACTION-MECHANISMS;
IGNITION; FLAME; BIFURCATION; EXTINCTION; REDUCTION
AB A systematic approach to developing compact reduced reaction models is proposed for liquid hydrocarbon fuels using n-dodecane and n-butane as the model fuels. The approach has three elements. Fast fuel cracking reactions are treated by the quasi-steady state approximation (QSSA) and lumped into semi-global reactions to yield key cracking products that are C-1-C-4 in size. Directed relation graph (DRG) and sensitivity analysis reduce the foundational fuel chemistry model to a skeletal model describing the oxidation of the C1-C4 compounds. Timescale-based reduction using, e.g., QSSA, is then employed to produce the final reduced model. For n-dodecane, a 24-species reduced model is derived from JetSurF and tested against the detailed model for auto-ignition, perfectly stirred reactors (PSR), premixed flame propagation, and extinction of premixed and non-premixed counterflow flames. It is shown that the QSSA of fuel cracking reactions is valid and robust under high-temperature conditions from laminar flames, where mixing is controlled by molecular diffusion, to perfectly stirred reactors, which correspond to the limit of fast turbulent mixing. Bifurcation analysis identifies the controlling processes of ignition and extinction and shows that these phenomena are insensitive to the details of fuel cracking. To verify the applicability of the above finding to turbulent flames, 2-D direct numerical simulation (DNS) of a lean turbulent premixed flame of n-butane/air with Karlovitz number of 250 was carried out using a reduced model developed from USC-Mech II. The results show that QSSA for fuel cracking remains valid even under intense turbulence conditions. Statistical analysis of the DNS data shows that fuel cracking is complete before the flame zone, and for the conditions tested, turbulent transport does not bring any significant fuel molecules into the flame zones, thus further substantiating the validity of the approach proposed. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
C1 [Gao, Yang; Shan, Ruiqin; Li, Cong; Lu, Tianfeng] Univ Connecticut, Dept Mech Engn, Storrs, CT 06269 USA.
[Lyra, Sgouria; Chen, Jacqueline H.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA.
[Wang, Hai] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA.
RP Lu, TF (reprint author), Univ Connecticut, Dept Mech Engn, Storrs, CT 06269 USA.
EM tlu@engr.uconn.edu
RI Lu, Tianfeng/D-7455-2014
OI Lu, Tianfeng/0000-0001-7536-1976
FU Air Force Office of Scientific Research [FA9550-13-1-0057,
FA9550-11-1-0217, FA9550-15-1-0496, FA9550-12-1-0472]; Division of
Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy
Sciences of the US Department of Energy; United States Department of
Energy [DE-AC04-94AL85000]
FX This work was supported by the Air Force Office of Scientific Research
under Grants FA9550-13-1-0057, FA9550-11-1-0217, FA9550-15-1-0496 and
FA9550-12-1-0472, and by the Division of Chemical Sciences, Geosciences
and Biosciences, Office of Basic Energy Sciences of the US Department of
Energy. 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.
NR 34
TC 2
Z9 2
U1 6
U2 12
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 2016
VL 163
BP 437
EP 446
DI 10.1016/j.combustflame.2015.10.018
PG 10
WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary;
Engineering, Chemical; Engineering, Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA CZ7KP
UT WOS:000367278600035
ER
PT J
AU Gedenk, E
AF Gedenk, Eric
TI Researchers Mine Information from Next-Generation Subsurface Flow
Simulations
SO COMPUTING IN SCIENCE & ENGINEERING
LA English
DT Article
C1 [Gedenk, Eric] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA.
RP Gedenk, E (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA.
EM gedenked@ornl.gov
FU DOE Office of Science User Facility [DE-AC05-00OR22725,
DE-AC02-06CH11357]; US Department of Energy [DE-AC05-00OR22725]; DOE
Public Access Plan
FX The Oak Ridge Leadership Computing Facility is a DOE Office of Science
User Facility supported under contract DE-AC05-00OR22725. The Argonne
Leadership Computing Facility is a DOE Office of Science User Facility
supported under contract DE-AC02-06CH11357. This manuscript has been
authored by UT-Battelle, LLC under contract DE-AC05-00OR22725 with the
US Department of Energy. The US government retains and the publisher, by
accepting the article for publication, acknowledges that the US
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. The DOE 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 0
TC 0
Z9 0
U1 0
U2 0
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 2016
VL 18
IS 1
BP 88
EP 91
DI 10.1109/MCSE.2016.15
PG 4
WC Computer Science, Interdisciplinary Applications
SC Computer Science
GA CZ7DS
UT WOS:000367260700010
ER
PT J
AU Dasgupta, A
Poco, J
Bertini, E
Silva, CT
AF Dasgupta, Aritra
Poco, Jorge
Bertini, Enrico
Silva, Claudio T.
TI Reducing the Analytical Bottleneck for Domain Scientists: Lessons from a
Climate Data Visualization Case Study
SO COMPUTING IN SCIENCE & ENGINEERING
LA English
DT Article
ID INFORMATION VISUALIZATION; UNCERTAINTY; USERS
C1 [Dasgupta, Aritra] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Poco, Jorge] Univ Washington, Seattle, WA 98195 USA.
[Bertini, Enrico; Silva, Claudio T.] NYU, Sch Engn, New York, NY 10003 USA.
RP Dasgupta, A (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM aritra.dasgupta@pnnl.gov; jpocom@uw.edu; enrico.bertini@nyu.edu;
csilva@nyu.edu
OI Poco, Jorge/0000-0001-9096-6287
NR 21
TC 0
Z9 0
U1 2
U2 5
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 2016
VL 18
IS 1
BP 92
EP 100
PG 9
WC Computer Science, Interdisciplinary Applications
SC Computer Science
GA CZ7DS
UT WOS:000367260700011
ER
PT J
AU Foust, RD
Bauer, AM
Costanza-Robinson, M
Blinn, DW
Prince, RC
Pickering, IJ
George, GN
AF Foust, Richard D., Jr.
Bauer, Anne-Marie
Costanza-Robinson, Molly
Blinn, Dean W.
Prince, Roger C.
Pickering, Ingrid J.
George, Graham N.
TI Arsenic transfer and biotransformation in a fully characterized
freshwater food web
SO COORDINATION CHEMISTRY REVIEWS
LA English
DT Review
DE Arsenic; Biotransformation; Diminution; Food web; Montezuma Well
ID RAY-ABSORPTION SPECTROSCOPY; SECONDARY PRODUCTION; POPULATION-DYNAMICS;
SPECIATION; CHAIN; RICE; BIOACCUMULATION; HETEROPTERA; GROUNDWATER;
METABOLISM
AB X-ray absorption near edge spectroscopy (XANES) was combined with ICP-MS to understand arsenic transfer and transformation within the freshwater Montezuma Well (central Arizona, USA) food web. Montezuma Well water contains 110 mu gL(-1) arsenic (100% H3AsO4), which was shown previously to originate from ore deposits approximately 30 km to the west, and transported underground to enter Montezuma Well through vents in the bottom of this collapsed travertine spring. The Montezuma Well food web contains three trophic levels with only five organisms in the top two levels, making it possible to account for the arsenic in >90% of the biomass of the food web. Arsenic diminution generally occurs between trophic levels, with 702 mg kg(-1) As in the primary producers, 3.4 mg kg(-1) As in the second trophic level, and <1.3 mg kg(-1) As for the top-tier of the littoral zone food web. A notable exception to the biodiminution trend is the very high total arsenic content (2810 mg kg(-1)) of Motobdella montezuma, an endemic leech and top predator. The biotransformed (sulfur-coordinated) arsenic in M. montezuma appears to be present almost entirely on the surface of the organism, possibly suggesting a detoxification mechanism. XANES sample spectra were fit by a linear combination of model arsenic compound spectra and indicated that arsenic enters the food web from the Well water entirely as inorganic As(V) and is transformed within the food web into more reduced and organic arsenic species, including sulfur-coordinated and methylated compounds. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Foust, Richard D., Jr.; Bauer, Anne-Marie; Costanza-Robinson, Molly] No Arizona Univ, Dept Chem & Biochem, Flagstaff, AZ 86011 USA.
[Blinn, Dean W.] No Arizona Univ, Dept Biol Sci, Flagstaff, AZ 86011 USA.
[Prince, Roger C.] ExxonMobil Res & Engn Co, Annandale, NJ 08801 USA.
[Pickering, Ingrid J.; George, Graham N.] Stanford Synchrotron Radiat Lab, Menlo Pk, CA USA.
RP Foust, RD (reprint author), James Madison Univ, Dept Chem & Biochem, Harrisonburg, VA 22807 USA.
EM foustrd@jmu.edu
RI Pickering, Ingrid/A-4547-2013;
OI Pickering, Ingrid/0000-0002-0936-2994
FU U.S. Department of Energy [DE-FC04-90AL66158, DE-FC02-02-EW15254];
National Science Foundation [DBI-0244221, CHE-0116804]; Department of
Energy, Offices of Basic Energy Sciences and Biological and
Environmental Research [DE-AC03-76SF00515]; National Institutes of
Health, National Center for Research Resources, Biomedical Technology
Program; National Institute of General Medical Sciences
FX We acknowledge the financial assistance of the U.S. Department of Energy
through two cooperative agreements, DE-FC04-90AL66158 and
DE-FC02-02-EW15254, administered by the HBCU-MI Environmental Technology
Consortium. We also acknowledge the financial assistance of the National
Science Foundation for grants DBI-0244221 and CHE-0116804. This work was
performed at SLAC National Accelerator Laboratory, Menlo Park, CA,
operated by Stanford University for the U.S. Department of Energy Office
of Science. The Stanford Synchrotron Radiation Laboratory is funded by
the Department of Energy, Offices of Basic Energy Sciences and
Biological and Environmental Research (DE-AC03-76SF00515); the National
Institutes of Health, National Center for Research Resources, Biomedical
Technology Program, and the National Institute of General Medical
Sciences. We are grateful to Mr. Glenn Henderson and Ms. Kathy Davis,
Park Superintendents for Montezuma Well National Monument, for their
support and for granting access to the Well as needed for this research
project. We thank Professor Michael Ketterer, Metropolitan State
University of Denver, for assistance obtaining ICP-MS data. Finally, we
wish to thank Professor David Salt, Purdue University, for assistance in
gaining access to the facilities at SSRL and for his many helpful
suggestions in preparing biological samples for XANES analysis.
NR 60
TC 0
Z9 0
U1 10
U2 34
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0010-8545
EI 1873-3840
J9 COORDIN CHEM REV
JI Coord. Chem. Rev.
PD JAN 1
PY 2016
VL 306
SI SI
BP 558
EP 565
DI 10.1016/j.ccr.2015.03.005
PN 2
PG 8
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DA0JL
UT WOS:000367483300008
ER
PT J
AU Jia, WX
Liu, M
Yang, YH
He, HL
Zhu, XD
Yang, F
Yin, C
Xiang, WN
AF Jia, Wenxiao
Liu, Min
Yang, Yuanhe
He, Honglin
Zhu, Xudong
Yang, Fang
Yin, Cai
Xiang, Weining
TI Estimation and uncertainty analyses of grassland biomass in Northern
China: Comparison of multiple remote sensing data sources and modeling
approaches
SO ECOLOGICAL INDICATORS
LA English
DT Article
DE Grassland biomass; NDVI; Root-to-shoot ratio; Uncertainty analysis;
Northern China
ID NET PRIMARY PRODUCTIVITY; ABOVEGROUND BIOMASS; CARBON STORAGE;
TIME-SERIES; MODIS; VEGETATION; PATTERNS; AVHRR; PERFORMANCE; ALLOCATION
AB Accurate estimation of grassland biomass and its dynamics are crucial not only for the biogeochemical dynamics of terrestrial ecosystems, but also for the sustainable use of grassland resources. However, estimations of grassland biomass on large spatial scale usually suffer from large variability and mostly lack quantitative uncertainty analyses. In this study, the spatial grassland biomass estimation and its uncertainty were assessed based on 265 field measurements and remote sensing data across Northern China during 2001-2005. Potential sources of uncertainty, including remote sensing data sources (DATsrc), model forms (MODfrm) and model parameters (biomass allocation, BMallo, e.g. root:shoot ratio), were determined and their relative contribution was quantified. The results showed that the annual grassland biomass in Northern China was 1268.37 +/- 180.84Tg (i.e., 532.02 +/- 99.71 g/m(2)) during 2001-2005, increasing from western to eastern area, with a mean relative uncertainty of 19.8%. There were distinguishable differences among the uncertainty contributions of three sources (BMallo >DATsrc>MODfrm), which contributed 52%, 27% and 13%, respectively. This study highlighted the need to concern the uncertainty in grassland biomass estimation, especially for the uncertainty related to BMallo. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Jia, Wenxiao; Liu, Min; Yang, Fang; Xiang, Weining] E China Normal Univ, Sch Ecol & Environm Sci, Shanghai Key Lab Urban Ecol Proc & EcoRestorat, Shanghai 200241, Peoples R China.
[Yang, Yuanhe] Chinese Acad Sci, Inst Bot, State Key Lab Vegetat & Environm Change, Beijing 100093, Peoples R China.
[He, Honglin] Chinese Acad Sci, Inst Geog Sci & Nat Resources Res, Key Lab Ecosyst Network Observat & Modeling, Beijing 100101, Peoples R China.
[Zhu, Xudong] Colorado State Univ, Nat Resource Ecol Lab, Ft Collins, CO 80523 USA.
[Zhu, Xudong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
[Yin, Cai] E China Normal Univ, Sch Geog Sci, Shanghai 200241, Peoples R China.
RP Liu, M (reprint author), E China Normal Univ, Sch Ecol & Environm Sci, Shanghai Key Lab Urban Ecol Proc & EcoRestorat, Shanghai 200241, Peoples R China.
EM mliu@re.ecnu.edu.cn
RI Yang, Yuanhe/D-1448-2011
FU Non-profit Special Research fund of National Environmental Protection of
China [201109030]; Science and Technology Projects of China on
"Certified carbon budget affected by climate change and related issues"
[XDA05050700]; National Natural Science Foundation of China [41201092,
41471076]
FX This study benefited from the NASA's Earth Observing System (EOS) Data
Gateway for the AVHRR, SPOT-VGT, and MODIS NDVI products. This study was
supported by the Non-profit Special Research fund of National
Environmental Protection of China (201109030), the Science and
Technology Projects of China on "Certified carbon budget affected by
climate change and related issues" (grant XDA05050700), and the National
Natural Science Foundation of China (grant 41201092, 41471076). The
authors thank Dr. Varenyam Achal for revising and polishing the English
writing. We are also very grateful for three anonymous reviewers in
providing invaluable suggestions and comments, which helped us to
improve this manuscript.
NR 54
TC 1
Z9 2
U1 10
U2 41
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1470-160X
EI 1872-7034
J9 ECOL INDIC
JI Ecol. Indic.
PD JAN
PY 2016
VL 60
BP 1031
EP 1040
DI 10.1016/j.ecolind.2015.09.001
PG 10
WC Biodiversity Conservation; Environmental Sciences
SC Biodiversity & Conservation; Environmental Sciences & Ecology
GA CZ9GW
UT WOS:000367407000104
ER
PT J
AU Sathre, R
Breunig, H
Greenblatt, J
Larsen, P
Masanet, E
McKone, T
Quinn, N
Scown, C
AF Sathre, Roger
Breunig, Hanna
Greenblatt, Jeffery
Larsen, Peter
Masanet, Eric
McKone, Thomas
Quinn, Nigel
Scown, Corinne
TI Spatially-explicit water balance implications of carbon capture and
sequestration
SO ENVIRONMENTAL MODELLING & SOFTWARE
LA English
DT Article
DE Water balance; Water stress; CCS; Climate change mitigation; GIS;
Electricity supply
ID POWER-PLANTS; CO2 CAPTURE; STORAGE; MANAGEMENT; DIOXIDE; IMPACTS
AB Implementation of carbon capture and sequestration (CCS) will increase water demand due to the cooling water requirements of CO2 capture equipment. If the captured CO2 is injected into saline aquifers for sequestration, brine may be extracted to manage the aquifer pressure, and can be desalinated to provide additional freshwater supply. We conduct a geospatial analysis to determine how CCS may affect local water supply and demand across the contiguous United States. We calculate baseline indices for each county in the year 2005, and project future water supply and demand with and without CCS through 2030. We conduct sensitivity analyses to identify the system parameters that most significantly affect water balance. Water supply changes due to inter-annual variability and projected climate change are overwhelmingly the most significant sources of variation. CCS can have strong local effects on water supply and demand, but overall it has a modest effect on water balances. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Sathre, Roger; Breunig, Hanna; Greenblatt, Jeffery; Larsen, Peter; McKone, Thomas; Quinn, Nigel; Scown, Corinne] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Breunig, Hanna; McKone, Thomas] Univ Calif Berkeley, Berkeley, CA 94720 USA.
[Larsen, Peter] Stanford Univ, Stanford, CA 94305 USA.
[Masanet, Eric] Northwestern Univ, Evanston, IL USA.
RP Sathre, R (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM rsathre@lbl.gov
RI Scown, Corinne/D-1253-2013; Masanet, Eric /I-5649-2012; Quinn,
Nigel/G-2407-2015
OI Quinn, Nigel/0000-0003-3333-4763
FU U.S. Department of Energy [DE-AC02-05CH11231]
FX Lawrence Berkeley National Laboratory is supported by the U.S.
Department of Energy under Contract No. DE-AC02-05CH11231.
NR 36
TC 0
Z9 0
U1 2
U2 8
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 1364-8152
EI 1873-6726
J9 ENVIRON MODELL SOFTW
JI Environ. Modell. Softw.
PD JAN
PY 2016
VL 75
SI SI
BP 153
EP 162
DI 10.1016/j.envsoft.2015.10.011
PG 10
WC Computer Science, Interdisciplinary Applications; Engineering,
Environmental; Environmental Sciences
SC Computer Science; Engineering; Environmental Sciences & Ecology
GA CZ4XI
UT WOS:000367105900012
ER
PT J
AU Young, DL
Nemeth, W
LaSalvia, V
Reedy, R
Essig, S
Bateman, N
Stradins, P
AF Young, David L.
Nemeth, William
LaSalvia, Vincenzo
Reedy, Robert
Essig, Stephanie
Bateman, Nicholas
Stradins, Paul
TI Interdigitated Back Passivated Contact (IBPC) Solar Cells Formed by Ion
Implantation
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Ion implantation; passivated contacts; silicon solar cells
ID SI; INTERFACE; OXIDES
AB We describe work toward an interdigitated back passivated contact (IBPC) solar cell formed by patterned ion-implanted passivated contacts. Formation of electron and hole passivated contacts to n-type Cz wafers using a thin SiO2 layer and ion-implanted amorphous silicon (a-Si) is described. P and B were ion implanted into intrinsic a-Si films, forming symmetric and IBPC test structures. The recombination parameter J(0), as measured by a Sinton lifetime tester after thermal annealing, was J(0) similar to 2.4 fA/cm(2) for Si: P and J(0) similar to 10 fA/cm(2) for Si: B contacts. The contact resistivity for the passivated contacts was found to be 0.46 Omega.cm(2) for the n-type contact and 0.04 Omega.cm(2) for the p-type contact. The IBPC solar cell test structure gave 1-sun V-oc values of 682 mV and pFF = 80%. The benefits of the ion-implanted IBPC cell structure are discussed.
C1 [Young, David L.; Nemeth, William; LaSalvia, Vincenzo; Reedy, Robert; Essig, Stephanie; Stradins, Paul] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Bateman, Nicholas] Appl Mat Inc, Gloucester, MA 01930 USA.
RP Young, DL (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM david.young@nrel.gov; william.nemeth@nrel.gov;
Vincenzo.LaSalvia@nrel.gov; Bob.Reedy@nrel.gov;
stephanie.essig@googlemail.com; Nicholas_Bateman@amat.com;
pauls.stradins@nrel.gov
FU U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable
Energy Laboratory
FX This work was supported by the U.S. Department of Energy under Contract
DE-AC36-08-GO28308 with the National Renewable Energy Laboratory.
NR 28
TC 2
Z9 2
U1 2
U2 18
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD JAN
PY 2016
VL 6
IS 1
BP 41
EP 47
DI 10.1109/JPHOTOV.2015.2483364
PG 7
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA CZ7AI
UT WOS:000367251900006
ER
PT J
AU Campanelli, MB
Osterwald, CR
AF Campanelli, Mark B.
Osterwald, Carl R.
TI Effective Irradiance Ratios to Improve I-V Curve Measurements and Diode
Modeling Over a Range of Temperature and Spectral and Total Irradiance
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Current-voltage (I-V) curve measurement; diode model; effective
irradiance ratio; irradiance dependence; model calibration;
short-circuit current temperature coefficient; spectral correction;
spectral dependence; temperature dependence
ID SOLAR-CELLS; CALIBRATION; PERFORMANCE
AB We present an integrated measurement and modeling approach based on the effective irradiance ratio, which is simply the ratio of the short-circuit current of a photovoltaic (PV) device under operating conditions to its short-circuit current under standard test conditions. Using a PV reference device to measure effective irradiance with respect to a standard spectrum, this approach handles device-specific and reference-device-specific temperature and spectral irradiance effects that are significant factors in performance measurements, such as IEC 61853-1, as well as in the diode-based equivalent circuit performance models that are calibrated from such measurements. Avoiding the use of spectrally dependent short-circuit current temperature coefficients, this approach uses a temperature-dependent spectral correction function that is a direct extension of the standardized spectral correction parameter used by numerous PV calibration laboratories. When a matched reference device is used, this function becomes identically one, and it need not be computed. This approach should be useful in the advancement of PV performance testing and modeling that use reference devices to monitor irradiance.
C1 [Campanelli, Mark B.] Intelligent Measurement Syst LLC, Bozeman, MT 59715 USA.
[Osterwald, Carl R.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Campanelli, MB (reprint author), Intelligent Measurement Syst LLC, Bozeman, MT 59715 USA.
EM mark.campanelli@gmail.com; Carl.Osterwald@nrel.gov
FU U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable
Energy Laboratory
FX This work was supported by the U.S. Department of Energy under Contract
DE-AC36-08-GO28308 with the National Renewable Energy Laboratory.
NR 31
TC 1
Z9 1
U1 0
U2 1
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD JAN
PY 2016
VL 6
IS 1
BP 48
EP 55
DI 10.1109/JPHOTOV.2015.2489866
PG 8
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA CZ7AI
UT WOS:000367251900007
ER
PT J
AU Simon, J
Schulte, KL
Young, DL
Haegel, NM
Ptak, AJ
AF Simon, John
Schulte, Kevin L.
Young, David L.
Haegel, Nancy M.
Ptak, Aaron J.
TI GaAs Solar Cells Grown by Hydride Vapor-Phase Epitaxy and the
Development of GaInP Cladding Layers
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Gallium arsenide; hydride vapor-phase epitaxy (HVPE); photovoltaics
AB The high cost of high-efficiency III-V photovoltaic devices currently limits them to niche markets. Hydride vapor-phase epitaxy (HVPE) growth of III-V materials recently reemerged as a low-cost, high-throughput alternative to conventional metal-organic vapor-phase epitaxy (MOVPE) growth of high-efficiency solar cells. Previously, we demonstrated unpassivated HVPE-grown GaAs p-n junctions with good quantum efficiency and high open-circuit voltage (V-oc). In this work, we demonstrate the growth of GaInP by HVPE for use as a high-quality surface passivation layer to GaAs solar cells. Solar cells grown with GaInP window layers show significantly improved quantum efficiency compared with unpassivated cells, increasing the short-circuit current (J(SC)) of these low-cost devices. These results show the potential of low-cost HVPE for the growth of high-quality III-V devices.
C1 [Simon, John; Schulte, Kevin L.; Young, David L.; Haegel, Nancy M.; Ptak, Aaron J.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Simon, J (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM john.simon@nrel.gov; kevin.schulte@nrel.gov; David.Young@nrel.gov;
nancy.haegel@nrel.go; aaron.ptak@nrel.gov
FU U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable
Energy Laboratory
FX This work was supported by the U.S. Department of Energy under Contract
DE-AC36-08-GO28308 with the National Renewable Energy Laboratory. 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 work, or allow others to do so, for
U.S. Government purposes.
NR 17
TC 3
Z9 3
U1 5
U2 16
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD JAN
PY 2016
VL 6
IS 1
BP 191
EP 195
DI 10.1109/JPHOTOV.2015.2501723
PG 5
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA CZ7AI
UT WOS:000367251900027
ER
PT J
AU Cheng, DL
Mather, BA
Seguin, R
Hambrick, J
Broadwater, RP
AF Cheng, Danling
Mather, Barry A.
Seguin, Richard
Hambrick, Joshua
Broadwater, Robert P.
TI Photovoltaic (PV) Impact Assessment for Very High Penetration Levels
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Distributed power generation; photovoltaic (PV) systems; power system
simulation; PV impact assessment
AB This paper describes a granular approach for investigating the impacts of very high photovoltaic (PV) generation penetration. Studies on two real-world distribution feeders connected to PV plants are presented. The studies include both steady-state and time-series power flow analyses, which include the effects of solar variability. The goal of the study is to predict the effects of increasing levels of PV generation as it reaches very high penetration levels. The loss and return of generation with and without regulation is simulated to capture short-term problems such as voltage fluctuations. Impact results from the analyses are described along with potential mitigations.
C1 [Cheng, Danling; Seguin, Richard; Hambrick, Joshua] Elect Distribut Design Inc, Blacksburg, VA 24060 USA.
[Mather, Barry A.] Natl Renewable Energy Lab, Distributed Energy Syst Integrat Grp, Golden, CO 80401 USA.
[Hambrick, Joshua] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Broadwater, Robert P.] Virginia Tech, Dept Elect & Comp Engn, Blacksburg, VA 24061 USA.
RP Cheng, DL (reprint author), Elect Distribut Design Inc, Blacksburg, VA 24060 USA.
EM dcheng@vt.edu; barry.mather@nrel.gov; rich-seguin@edd-us.com;
joshua.hambrick@ge.com; dew@vt.edu
FU U.S. Department of Energy [DOE-EE0002061]; National Renewable Energy
Laboratory
FX This work was supported by the U.S. Department of Energy under Contract
DOE-EE0002061 with the National Renewable Energy Laboratory.
NR 19
TC 1
Z9 1
U1 0
U2 0
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD JAN
PY 2016
VL 6
IS 1
BP 295
EP 300
DI 10.1109/JPHOTOV.2015.2481605
PG 6
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA CZ7AI
UT WOS:000367251900042
ER
PT J
AU Kuciauskas, D
Dippo, P
Zhao, Z
Cheng, L
Kanevce, A
Metzger, WK
Gloeckler, M
AF Kuciauskas, Darius
Dippo, Pat
Zhao, Zhibo
Cheng, Long
Kanevce, Ana
Metzger, Wyatt K.
Gloeckler, Markus
TI Recombination Analysis in Cadmium Telluride Photovoltaic Solar Cells
With Photoluminescence Spectroscopy
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Cadmium telluride; photovoltaic (PV) device; recombination;
time-resolved photoluminescence (TRPL)
ID CDTE THIN-FILM; CARRIER LIFETIME; TEMPERATURE; EFFICIENCY; CRYSTAL;
SURFACE
AB We used photoluminescence (PL) spectroscopy to study recombination in polycrystalline CdS/CdTe photovoltaic solar cells with open-circuit voltages in the range of 0.899-0.895 V. From PL emission spectra, we identified defects with an activation energy of 0.11-0.12 eV in the junction and back-contact regions. At < 100 K, lifetimes in devices were similar to those in single crystals and ranged from 300-400 ns. Strong lifetime temperature dependence at 100-300 K suggests the presence of a relatively shallow recombination center. Therefore, it is possible that in CdTe solar cells, lifetime is limited by relatively shallow defects.
C1 [Kuciauskas, Darius; Dippo, Pat; Kanevce, Ana; Metzger, Wyatt K.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Zhao, Zhibo; Cheng, Long; Gloeckler, Markus] First Solar Inc, Perrysburg, OH 43551 USA.
RP Kuciauskas, D (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM darius.kuciauskas@nrel.gov; pat.dippo@nrel.gov; zzhao@firstsolar.com;
lcheng@firstsolar.com; ana.kanevce@nrel.gov; wy-att.metzger@nrel.gov;
Mgloeckler@firstsolar.com
FU U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable
Energy Laboratory (NREL); NREL-First Solar Cooperative Research and
Development Agreement
FX This work was supported by the U.S. Department of Energy under Contract
DE-AC36-08-GO28308 with the National Renewable Energy Laboratory (NREL)
and by NREL-First Solar Cooperative Research and Development Agreement.
NR 33
TC 3
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U1 4
U2 22
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD JAN
PY 2016
VL 6
IS 1
BP 313
EP 318
DI 10.1109/JPHOTOV.2015.2483366
PG 6
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA CZ7AI
UT WOS:000367251900045
ER
PT J
AU Steiner, MA
Geisz, JF
Ward, JS
Garcia, I
Friedman, DJ
King, RR
Chiu, PT
France, RM
Duda, A
Olavarria, WJ
Young, M
Kurtz, SR
AF Steiner, Myles A.
Geisz, John F.
Ward, J. Scott
Garcia, Ivan
Friedman, Daniel J.
King, Richard R.
Chiu, Philip T.
France, Ryan M.
Duda, Anna
Olavarria, Waldo J.
Young, Michelle
Kurtz, Sarah R.
TI Optically Enhanced Photon Recycling in Mechanically Stacked
Multijunction Solar Cells
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Luminescent coupling; mechanical stack; multijunction solar cell; photon
recycling; III-V solar cell
ID EFFICIENCY; LUMINESCENCE
AB Multijunction solar cells can be fabricated by mechanically bonding together component cells that are grown separately. Here, we present four-junction four-terminal mechanical stacks composed of GaInP/GaAs tandems grown on GaAs substrates and GaInAsP/GaInAs tandems grown on InP substrates. The component cells were bonded together with a low-index transparent epoxy that acts as an angularly selective reflector to the GaAs bandedge luminescence, while simultaneously transmitting nearly all of the subbandgap light. As determined by electroluminescence measurements and optical modeling, the GaAs subcell demonstrates a higher internal radiative limit and, thus, higher subcell voltage, compared with GaAs subcells without the epoxy reflector. The best cells demonstrate 38.8 +/- 1.0% efficiency under the global spectrum at 1000 W/m(2) and similar to 42% under the direct spectrum at similar to 100 suns. Eliminating the series resistance is the key challenge for further improving the concentrator cells.
C1 [Steiner, Myles A.; Geisz, John F.; Ward, J. Scott; Garcia, Ivan; Friedman, Daniel J.; France, Ryan M.; Duda, Anna; Olavarria, Waldo J.; Young, Michelle; Kurtz, Sarah R.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[King, Richard R.; Chiu, Philip T.] Boeing Spectrolab, Sylmar, CA 91342 USA.
RP Steiner, MA (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM myles.steiner@nrel.gov; john.geisz@nrel.gov; scott.ward@nrel.gov;
igarcia@ies-def.upm.es; daniel.friedman@nrel.gov;
Richard.R.King@asu.edu; philip.t.chiu@boeing.com; ryan.france@nrel.gov;
anna.duda@nrel.gov; waldo.olavarria@nrel.gov; michelle.young@nrel.gov;
sarah.kurtz@nrel.gov
RI Garcia, Ivan/L-1547-2014
OI Garcia, Ivan/0000-0002-9895-2020
FU IOF grant from the People Program (Marie Curie Actions) of the European
Union's Seventh Framework Program (FP7) under REA Grant [299878]; U.S.
Department of Energy [DE-AC36-08GO28308]; National Renewable Energy
Laboratory; DOE/EERE FPACE1 program [24619]
FX The work of I. Garcia was supported by an IOF grant from the People
Program (Marie Curie Actions) of the European Union's Seventh Framework
Program (FP7/2007-2013) under REA Grant 299878. This work was supported
by the U.S. Department of Energy under Contract DE-AC36-08GO28308 with
the National Renewable Energy Laboratory and funded by the DOE/EERE
FPACE1 program under Award 24619.
NR 28
TC 4
Z9 4
U1 6
U2 21
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD JAN
PY 2016
VL 6
IS 1
BP 358
EP 365
DI 10.1109/JPHOTOV.2015.2494690
PG 8
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA CZ7AI
UT WOS:000367251900052
ER
PT J
AU Garcia, I
France, RM
Geisz, JF
McMahon, WE
Steiner, MA
Johnston, S
Friedman, DJ
AF Garcia, Ivan
France, Ryan M.
Geisz, John F.
McMahon, William E.
Steiner, Myles A.
Johnston, Steve
Friedman, Daniel J.
TI Metamorphic III-V Solar Cells: Recent Progress and Potential
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Dislocation density; epitaxy; luminescence efficiency; metamorphic;
multijunction solar cell; photon recycling; III-V compound
ID PHASE-SEPARATION; BUFFER LAYERS; GAAS; DISLOCATIONS; LUMINESCENCE;
EFFICIENCY; LIFETIME; THIN; INP
AB Inverted metamorphic multijunction solar cells have been demonstrated to be a pathway to achieve the highest photovoltaic (PV) conversion efficiencies. Attaining high-quality lattice-mismatched (metamorphic) semiconductor devices is challenging. However, recent improvements to compositionally graded buffer epitaxy and junction structures have led to the achievement of high-quality metamorphic solar cells exhibiting internal luminescence efficiencies over 90%. For this high material quality, photon recycling is significant, and therefore, the optical environment of the solar cell becomes important. In this paper, we first present recent progress and performance results for 1- and 0.7-eV GaInAs solar cells grown on GaAs substrates. Then, an electrooptical model is used to assess the potential performance improvements in current metamorphic solar cells under different realizable design scenarios. The results show that the quality of 1-eV subcells is such that further improving its electronic quality does not produce significant V-oc increases in the four-junction inverted metamorphic subcells, unless a back reflector is used to enhance photon recycling, which would significantly complicate the structure. Conversely, improving the electronic quality of the 0.7-eV subcell would lead to significant V-oc boosts, driving the progress of four-junction inverted metamorphic solar cells.
C1 [Garcia, Ivan] Univ Politecn Madrid, Inst Energia Solar, E-28040 Madrid, Spain.
[Garcia, Ivan; France, Ryan M.; Geisz, John F.; McMahon, William E.; Steiner, Myles A.; Johnston, Steve; Friedman, Daniel J.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Garcia, I (reprint author), Univ Politecn Madrid, Inst Energia Solar, E-28040 Madrid, Spain.
EM igarcia@ies-def.upm.es; ryan.france@nrel.gov; john.geisz@nrel.gov;
bill.mcmahon@nrel.gov; myles.steiner@nrel.gov; steve.johnston@nrel.gov;
daniel.friedman@nrel.gov
RI Garcia, Ivan/L-1547-2014
OI Garcia, Ivan/0000-0002-9895-2020
FU U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable
Energy Laboratory; International Outgoing Fellowships grant from the
People Program (Marie Curie Actions) of the European Union's Seventh
Framework Program (FP7) under Research Executive Agency Grant [299878]
FX This work was supported by the U.S. Department of Energy under Contract
DE-AC36-08-GO28308 with the National Renewable Energy Laboratory. The
work of I. Garcia was supported by an International Outgoing Fellowships
grant from the People Program (Marie Curie Actions) of the European
Union's Seventh Framework Program (FP7/2007-2013) under Research
Executive Agency Grant 299878.
NR 33
TC 2
Z9 2
U1 7
U2 28
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD JAN
PY 2016
VL 6
IS 1
BP 366
EP 373
DI 10.1109/JPHOTOV.2015.2501722
PG 8
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA CZ7AI
UT WOS:000367251900053
ER
PT J
AU Deptuch, GW
Carini, G
Enquist, P
Grybos, P
Holm, S
Lipton, R
Maj, P
Patti, R
Siddons, DP
Szczygiel, R
Yarema, R
AF Deptuch, Grzegorz W.
Carini, Gabriella
Enquist, Paul
Grybos, Pawel
Holm, Scott
Lipton, Ronald
Maj, Piotr
Patti, Robert
Siddons, David Peter
Szczygiel, Robert
Yarema, Raymond
TI Fully 3-D Integrated Pixel Detectors for X-Rays
SO IEEE TRANSACTIONS ON ELECTRON DEVICES
LA English
DT Article
DE CMOS integrated circuits; 3D integration; image sensors; pixel
detectors; X-ray detectors
ID CIRCUITS; SENSORS; TESTS; CHIP
AB The vertically integrated photon imaging chip (VIPIC1) pixel detector is a stack consisting of a 500-mu m-thick silicon sensor, a two-tier 34-mu m-thick integrated circuit, and a host printed circuit board (PCB). The integrated circuit tiers were bonded using the direct bonding technology with copper, and each tier features 1-mu m-diameter through-silicon vias that were used for connections to the sensor on one side, and to the host PCB on the other side. The 80-mu m-pixel-pitch sensor was the direct bonding technology with nickel bonded to the integrated circuit. The stack was mounted on the board using Sn-Pb balls placed on a 320-mu m pitch, yielding an entirely wire-bond-less structure. The analog front-end features a pulse response peaking at below 250 ns, and the power consumption per pixel is 25 mu W. A successful completion of the 3-D integration is reported. In addition, all pixels in the matrix of 64 x 64 pixels were responding on well-bonded devices. Correct operation of the sparsified readout, allowing a single 153-ns bunch timing resolution, was confirmed in the tests on a synchrotron beam of 10-keV X-rays. An equivalent noise charge of 36.2 e(-) rms and a conversion gain of 69.5 mu V/e(-) with 2.6 e(-) rms and 2.7 mu V/e(-) rms pixel-to-pixel variations, respectively, were measured.
C1 [Deptuch, Grzegorz W.; Holm, Scott; Lipton, Ronald; Yarema, Raymond] Fermilab Natl Accelerator Lab, Particle Phys Div, Dept Elect Engn, ASIC Dev Grp, Batavia, IL 60510 USA.
[Deptuch, Grzegorz W.; Grybos, Pawel; Maj, Piotr; Szczygiel, Robert] AGH Univ Sci & Technol, Dept Measurement & Elect, Fac Elect Engn Automat Comp Sci & Biomed Engn, PL-30059 Krakow, Poland.
[Carini, Gabriella] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA.
[Enquist, Paul] Ziptronix Inc, Raleigh, NC 27612 USA.
[Patti, Robert] Tezzaron Semicond, Naperville, IL 60563 USA.
[Siddons, David Peter] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
RP Deptuch, GW (reprint author), Fermilab Natl Accelerator Lab, Particle Phys Div, Dept Elect Engn, ASIC Dev Grp, Batavia, IL 60510 USA.
EM deptuch@ieee.org; carini@slac.stanford.edu; p.enquist@ziptronix.com;
pawel.grybos@agh.edu.pl; holm@fnal.gov; lipton@fnal.gov;
piotr.maj@agh.edu.pl; rpatti@tezzaron.com; siddons@bnl.gov;
robert.szczygiel@agh.edu.pl; yarema@fnal.gov
FU U.S. Department of Energy [DE-AC02-07CH11359]; U.S. Department of
Energy, Office of Science, and Office of Basic Energy Sciences
[DE-AC02-98CH10886]; National Science Center [UMO-2013/09/B/ST7/01627,
DEC- 2014/13/B/ST7/01168]
FX Fermilab is operated by Fermi Research Alliance, LLC under contract No.
DE-AC02-07CH11359 with the U.S. Department of Energy. BNL is supported
by the U.S. Department of Energy, Office of Science, and Office of Basic
Energy Sciences under contract No. DE-AC02-98CH10886. AGH-UST was
supported by National Science Center, under contract No.
UMO-2013/09/B/ST7/01627 and under Contract No. DEC- 2014/13/B/ST7/01168.
The review of this paper was arranged by Editor N. Teranishi.
NR 20
TC 2
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U1 2
U2 11
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0018-9383
EI 1557-9646
J9 IEEE T ELECTRON DEV
JI IEEE Trans. Electron Devices
PD JAN
PY 2016
VL 63
IS 1
SI SI
BP 205
EP 214
DI 10.1109/TED.2015.2448671
PG 10
WC Engineering, Electrical & Electronic; Physics, Applied
SC Engineering; Physics
GA CZ7DH
UT WOS:000367259600028
ER
PT J
AU Dickerson, JR
Allerman, AA
Bryant, BN
Fischer, AJ
King, MP
Moseley, MW
Armstrong, AM
Kaplar, RJ
Kizilyalli, IC
Aktas, O
Wierer, JJ
AF Dickerson, Jeramy R.
Allerman, Andrew A.
Bryant, Benjamin N.
Fischer, Arthur J.
King, Michael P.
Moseley, Michael W.
Armstrong, Andrew M.
Kaplar, Robert J.
Kizilyalli, Isik C.
Aktas, Ozgur
Wierer, Jonathan J., Jr.
TI Vertical GaN Power Diodes With a Bilayer Edge Termination
SO IEEE TRANSACTIONS ON ELECTRON DEVICES
LA English
DT Article
DE Avalanche breakdown; gallium nitride; p-n junctions; power semiconductor
devices
ID VAPOR-PHASE EPITAXY; AVALANCHE PHOTODIODES; BULK GAN; PERFORMANCE;
MODFETS
AB Vertical GaN power diodes with a bilayer edge termination (ET) are demonstrated. The GaN p-n junction is formed on a low threading dislocation defect density (10(4) - 10(5) cm(-2)) GaN substrate, and has a 15-mu m-thick n-type drift layer with a free carrier concentration of 5x10(15) cm(-3). The ET structure is formed by N implantation into the p(+)-GaN epilayer just outside the p-type contact to create compensating defects. The implant defect profile may be approximated by a bilayer structure consisting of a fully compensated layer near the surface, followed by a 90% compensated (p) layer near the n-type drift region. These devices exhibit avalanche breakdown as high as 2.6 kV at room temperature. Simulations show that the ET created by implantation is an effective way to laterally distribute the electric field over a large area. This increases the voltage at which impact ionization occurs and leads to the observed higher breakdown voltages.
C1 [Dickerson, Jeramy R.; Allerman, Andrew A.; Bryant, Benjamin N.; Fischer, Arthur J.; King, Michael P.; Moseley, Michael W.; Armstrong, Andrew M.; Kaplar, Robert J.; Wierer, Jonathan J., Jr.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Kizilyalli, Isik C.; Aktas, Ozgur] Avogy Inc, San Jose, CA 95134 USA.
[Wierer, Jonathan J., Jr.] Lehigh Univ, Bethlehem, PA 18015 USA.
RP Dickerson, JR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM jrdicke@sandia.gov
RI Wierer, Jonathan/G-1594-2013
OI Wierer, Jonathan/0000-0001-6971-4835
FU Laboratory Directed Research and Development Program at Sandia National
Laboratories; U.S. Department of Energy's National Nuclear Security
Administration [DE-AC04-94AL85000]
FX This work was supported by the Laboratory Directed Research and
Development Program at Sandia National Laboratories. Sandia National
Laboratories is a multiprogram 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. The review of this
paper was arranged by Editor G. Ghione.
NR 22
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U1 15
U2 52
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0018-9383
EI 1557-9646
J9 IEEE T ELECTRON DEV
JI IEEE Trans. Electron Devices
PD JAN
PY 2016
VL 63
IS 1
SI SI
BP 419
EP 425
DI 10.1109/TED.2015.2502186
PG 7
WC Engineering, Electrical & Electronic; Physics, Applied
SC Engineering; Physics
GA CZ7DH
UT WOS:000367259600056
ER
PT J
AU Elizondo, MA
Tuffner, FK
Schneider, KP
AF Elizondo, Marcelo A.
Tuffner, Francis K.
Schneider, Kevin P.
TI Three-Phase Unbalanced Transient Dynamics and Powerflow for Modeling
Distribution Systems With Synchronous Machines
SO IEEE TRANSACTIONS ON POWER SYSTEMS
LA English
DT Article
DE Distribution systems; machine models; microgrids; transient stability;
unbalanced operation
ID STABILITY
AB Unlike transmission systems, distribution feeders in North America operate under unbalanced conditions at all times, and generally have a single strong voltage source. When a distribution feeder is connected to a strong substation source, the system is dynamically very stable, even for large transients. However if a distribution feeder, or part of the feeder, is separated from the substation and begins to operate as an islanded microgrid, transient dynamics become more of an issue. To assess the impact of transient dynamics at the distribution level, it is not appropriate to use traditional transmission solvers, which generally assume transposed lines and balanced loads. Full electromagnetic solvers capture a high level of detail, but it is difficult to model large systems because of the required detail. This paper proposes an electromechanical transient model of synchronous machines for distribution-level modeling and microgrids. This approach includes not only the machine model, but also its interface with an unbalanced network solver, and a powerflow method to solve unbalanced conditions without a strong reference bus. The presented method is validated against a full electromagnetic transient simulation.
C1 [Elizondo, Marcelo A.; Tuffner, Francis K.; Schneider, Kevin P.] Pacific NW Natl Lab, Seattle, WA 98109 USA.
RP Elizondo, MA (reprint author), Pacific NW Natl Lab, Seattle, WA 98109 USA.
EM Marcelo.Elizondo@pnnl.gov; Francis.Tuffner@pnnl.gov;
Kevin.Schneider@pnnl.gov
FU Department of Energy, Office of Electricity Delivery and Energy
Reliability; U.S. Department of Energy [DE-AC05-76RL01830]
FX This work was supported by the Department of Energy, Office of
Electricity Delivery and Energy Reliability. The Pacific Northwest
National Laboratory is operated for the U.S. Department of Energy by
Battelle Memorial Institute under Contract DE-AC05-76RL01830. Paper no.
TPWRS-00411-2014.
NR 18
TC 2
Z9 2
U1 2
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 2016
VL 31
IS 1
BP 105
EP 115
DI 10.1109/TPWRS.2015.2389712
PG 11
WC Engineering, Electrical & Electronic
SC Engineering
GA CZ7RQ
UT WOS:000367298100011
ER
PT J
AU Liu, C
Lee, C
Chen, HY
Mehrotra, S
AF Liu, Cong
Lee, Changhyeok
Chen, Haoyong
Mehrotra, Sanjay
TI Stochastic Robust Mathematical Programming Model for Power System
Optimization
SO IEEE TRANSACTIONS ON POWER SYSTEMS
LA English
DT Article
DE Distributionally robust; power system optimization; robust optimization;
stochastic; unit commitment
ID UNIT COMMITMENT
AB This letter presents a stochastic robust framework for two-stage power system optimization problems with uncertainty. The model optimizes the probabilistic expectation of different worst-case scenarios with different uncertainty sets. A case study of unit commitment shows the effectiveness of the proposed model and algorithms.
C1 [Liu, Cong; Lee, Changhyeok] Argonne Natl Lab, Decis & Informat Sci, Argonne, IL 60439 USA.
[Lee, Changhyeok; Mehrotra, Sanjay] Northwestern Univ, Dept Ind Engn & Management Sci, Evanston, IL 60208 USA.
[Chen, Haoyong] S China Univ Technol, Dept Elect Engn, Guangzhou 510641, Guangdong, Peoples R China.
RP Liu, C (reprint author), Argonne Natl Lab, Decis & Informat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM liuc@anl.gov; ChanghyeokLee2014@u.northwestern.edu;
eehychen@scut.edu.cn; mehrotra@northwestern.edu
RI Mehrotra, Sanjay/B-7477-2009
FU Argonne, a U.S. Department of Energy Office of Science laboratory
[DE-AC02-06CH11357]; U.S. Department of Energy, Office of Electricity
Delivery and Energy Reliability
FX The submitted manuscript was created by UChicago Argonne, LLC, Operator
of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department
of Energy Office of Science laboratory, is operated under Contract No.
DE-AC02-06CH11357. This work was supported by the U.S. Department of
Energy, Office of Electricity Delivery and Energy Reliability. Paper no.
PESL-00077-2014.
NR 6
TC 1
Z9 1
U1 5
U2 19
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 2016
VL 31
IS 1
BP 821
EP 822
DI 10.1109/TPWRS.2015.2394320
PG 2
WC Engineering, Electrical & Electronic
SC Engineering
GA CZ7RQ
UT WOS:000367298100081
ER
PT J
AU Liu, GD
Xu, Y
Tomsovic, K
AF Liu, Guodong
Xu, Yan
Tomsovic, Kevin
TI Bidding Strategy for Microgrid in Day-Ahead Market Based on Hybrid
Stochastic/Robust Optimization
SO IEEE TRANSACTIONS ON SMART GRID
LA English
DT Article
DE Market bidding strategy; microgrid; mixedinteger linear programming
(MILP); robust optimization; stochastic optimization; uncertainty
ID ENERGY MANAGEMENT; UNIT COMMITMENT; SPINNING RESERVE; POWER MARKETS;
DEMAND; MODEL; GENERATION; RESOURCES; OPERATION; SYSTEM
AB This paper proposes an optimal bidding strategy in the day-ahead market of a microgrid consisting of intermittent distributed generation (DG), storage, dispatchable DG, and price responsive loads. The microgrid coordinates the energy consumption or production of its components, and trades electricity in both day-ahead and real-time markets to minimize its operating cost as a single entity. The bidding problem is challenging due to a variety of uncertainties, including power output of intermittent DG, load variation, and day-ahead and real-time market prices. A hybrid stochastic/robust optimization model is proposed to minimize the expected net cost, i.e., expected total cost of operation minus total benefit of demand. This formulation can be solved by mixed-integer linear programming. The uncertain output of intermittent DG and day-ahead market price are modeled via scenarios based on forecast results, while a robust optimization is proposed to limit the unbalanced power in real-time market taking account of the uncertainty of real-time market price. Numerical simulations on a microgrid consisting of a wind turbine, a photovoltaic panel, a fuel cell, a micro-turbine, a diesel generator, a battery, and a responsive load show the advantage of stochastic optimization, as well as robust optimization.
C1 [Liu, Guodong; Xu, Yan] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Tomsovic, Kevin] Univ Tennessee, Min H Kao Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA.
RP Liu, GD (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM liug@ornl.gov; xuy3@ornl.gov; tomsovic@utk.edu
FU Office of Electricity Delivery and Energy Reliability; U.S. Department
of Energy with the University of Tennessee (UT)-Battelle; UT Knoxville
[DE-AC05-00OR 22725]; Engineering Research Center Shared Facilities of
the Engineering Research Center Program of the National Science
Foundation; Department of Energy under National Science Foundation
[EEC-1041877]; Center for Ultra-Wide-Area Resilient Electric Energy
Transmission Networks (CURENT) Industry Partnership Program
FX This work was supported in part by the Office of Electricity Delivery
and Energy Reliability, in part by the U.S. Department of Energy with
the University of Tennessee (UT)-Battelle and conducted at Oak Ridge
National Laboratory and UT Knoxville under Contract DE-AC05-00OR 22725,
in part by the Engineering Research Center Shared Facilities of the
Engineering Research Center Program of the National Science Foundation
and the Department of Energy under National Science Foundation Award
EEC-1041877, and in part by the Center for Ultra-Wide-Area Resilient
Electric Energy Transmission Networks (CURENT) Industry Partnership
Program. Paper no. TSG-00812-2014.
NR 47
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U1 1
U2 24
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 2016
VL 7
IS 1
BP 227
EP 237
DI 10.1109/TSG.2015.2476669
PG 11
WC Engineering, Electrical & Electronic
SC Engineering
GA CZ7SH
UT WOS:000367299800023
ER
PT J
AU Wang, ZY
Chen, BK
Wang, JH
Chen, C
AF Wang, Zhaoyu
Chen, Bokan
Wang, Jianhui
Chen, Chen
TI Networked Microgrids for Self-Healing Power Systems
SO IEEE TRANSACTIONS ON SMART GRID
LA English
DT Article
DE Consensus algorithm; distributed power generation; microgrid (MG); power
distribution faults; self-healing
ID DISTRIBUTED ENERGY-RESOURCES; MULTI-MICROGRIDS; MANAGEMENT;
OPTIMIZATION; FRAMEWORK
AB This paper proposes a transformative architecture for the normal operation and self-healing of networked microgrids (MGs). MGs can support and interchange electricity with each other in the proposed infrastructure. The networked MGs are connected by a physical common bus and a designed two-layer cyber communication network. The lower layer is within each MG where the energy management system (EMS) schedules the MG operation; the upper layer links a number of EMSs for global optimization and communication. In the normal operation mode, the objective is to schedule dispatchable distributed generators (DGs), energy storage systems (ESs), and controllable loads to minimize the operation costs and maximize the supply adequacy of each MG. When a generation deficiency or fault happens in an MG, the model switches to the self-healing mode and the local generation capacities of other MGs can be used to support the on-emergency portion of the system. A consensus algorithm is used to distribute portions of the desired power support to each individual MG in a decentralized way. The allocated portion corresponds to each MG's local power exchange target, which is used by its EMS to perform the optimal schedule. The resultant aggregated power output of networked MGs will be used to provide the requested power support. Test cases demonstrate the effectiveness of the proposed methodology.
C1 [Wang, Zhaoyu] Georgia Inst Technol, Sch Elect & Comp Engn, Atlanta, GA 30332 USA.
[Chen, Bokan] Iowa State Univ, Sch Ind & Mfg Syst Engn, Ames, IA 50014 USA.
[Wang, Jianhui; Chen, Chen] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Wang, ZY (reprint author), Georgia Inst Technol, Sch Elect & Comp Engn, Atlanta, GA 30332 USA.
EM zhaoyuwang@gatech.edu; bokanc@iastate.edu; jianhui.wang@anl.gov;
morningchen@anl.gov
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 28
TC 5
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U1 2
U2 5
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 2016
VL 7
IS 1
BP 310
EP 319
DI 10.1109/TSG.2015.2427513
PG 10
WC Engineering, Electrical & Electronic
SC Engineering
GA CZ7SH
UT WOS:000367299800031
ER
PT J
AU Wang, YM
Wang, JH
Dong, XZ
Du, PW
Ni, M
Wang, CS
Yao, LZ
Zhang, BM
Chen, C
AF Wang, Yimin
Wang, Jianhui
Dong, Xuzhu
Du, Pengwei
Ni, Ming
Wang, Chengshan
Yao, Liangzhong
Zhang, Boming
Chen, Chen
TI Guest Editorial Smart Grid Technologies and Development in China
SO IEEE TRANSACTIONS ON SMART GRID
LA English
DT Editorial Material
C1 [Wang, Yimin] State Grid Corp China, Beijing, Peoples R China.
[Wang, Jianhui; Chen, Chen] Argonne Natl Lab, Lemont, IL USA.
[Dong, Xuzhu] China Southern Power Grid, Elect Power Res Inst, Guangzhou, Guangdong, Peoples R China.
[Du, Pengwei] ERCOT, Austin, TX USA.
[Ni, Ming] State Grid Elect Power Res Inst NARI Grp, Nanjing, Jiangsu, Peoples R China.
[Wang, Chengshan] Tianjin Univ, Tianjin 300072, Peoples R China.
[Yao, Liangzhong] China Elect Power Res Inst, Beijing, Peoples R China.
[Zhang, Boming] Tsinghua Univ, Beijing 100084, Peoples R China.
RP Wang, YM (reprint author), State Grid Corp China, Beijing, Peoples R China.
NR 0
TC 3
Z9 3
U1 1
U2 5
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 2016
VL 7
IS 1
BP 379
EP 380
DI 10.1109/TSG.2015.2502490
PG 2
WC Engineering, Electrical & Electronic
SC Engineering
GA CZ7SH
UT WOS:000367299800038
ER
PT J
AU Li, ZG
Wu, WC
Shahidehpour, M
Wang, JH
Zhang, BM
AF Li, Zhigang
Wu, Wenchuan
Shahidehpour, Mohammad
Wang, Jianhui
Zhang, Boming
TI Combined Heat and Power Dispatch Considering Pipeline Energy Storage of
District Heating Network
SO IEEE TRANSACTIONS ON SUSTAINABLE ENERGY
LA English
DT Article
DE Combined heat and power dispatch (CHPD); district heating system (DHS);
energy storage; network-constrained economic dispatch; wind power
integration
ID WIND POWER; ELECTRICITY MARKET; ECONOMIC-DISPATCH; OPTIMIZATION;
INTEGRATION; ALGORITHM; SYSTEMS; PUMPS
AB The regional integration of variable wind power could be restricted by a strong coupling of electric power generation dispatch and heat supply of combined heat-and-power (CHP) units. The coupling in cold seasons precludes CHPs from providing the necessary flexibility for managing the wind power dispatch. The lack of flexibility problem can be tackled by exploiting the energy storage capability of a district heating network (DHN) which decouples the strong linkage of electric power and heat supplies. In this paper, a combined heat and power dispatch (CHPD) is formulated to coordinate the operation of electric power system (EPS) and district heating system (DHS). The proposed CHPD model which is solved by an iterative method considers the temperature dynamics of DHN for exploiting energy storage as an option for managing the variability of wind energy. The simulation results are discussed for several test systems to demonstrate the potential benefits of the proposed method in terms of operation economics, wind power utilization, as well as the potential benefits for real systems.
C1 [Li, Zhigang; Wu, Wenchuan; Zhang, Boming] Tsinghua Univ, Dept Elect Engn, Beijing 100084, Peoples R China.
[Shahidehpour, Mohammad] IIT, Robert W Galvin Ctr Elect Innovat, Chicago, IL 60616 USA.
[Wang, Jianhui] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Li, ZG (reprint author), Tsinghua Univ, Dept Elect Engn, Beijing 100084, Peoples R China.
EM wuwench@tsinghua.edu.cn; ms@iit.edu; jianhui.wang@anl.gov
FU China Scholarship Council; Key Technologies Research and Development
Program of China [2015BAA01B01]; National Science Foundation of China
[51177080, 51321005]
FX This work was supported in part by the China Scholarship Council, in
part by the Key Technologies Research and Development Program of China
under Grant 2015BAA01B01, and in part by the National Science Foundation
of China under Grant 51177080 and Grant 51321005. Paper no.
TSTE-00356-2015.
NR 36
TC 6
Z9 6
U1 4
U2 12
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 2016
VL 7
IS 1
BP 12
EP 22
DI 10.1109/TSTE.2015.2467383
PG 11
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Electrical & Electronic
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA CZ8HL
UT WOS:000367340700002
ER
PT J
AU Cui, MJ
Zhang, J
Florita, AR
Hodge, BM
Ke, DP
Sun, YZ
AF Cui, Mingjian
Zhang, Jie
Florita, Anthony R.
Hodge, Bri-Mathias
Ke, Deping
Sun, Yuanzhang
TI An Optimized Swinging Door Algorithm for Identifying Wind Ramping Events
SO IEEE TRANSACTIONS ON SUSTAINABLE ENERGY
LA English
DT Article
DE Dynamic programming; sliding window; wind power ramp events (WPREs);
swinging door algorithm (SDA)
AB With the increasing penetration of renewable energy in recent years, wind power ramp events (WPREs) have started affecting the economic and reliable operation of power grids. In this paper, we develop an optimized swinging door algorithm (OpSDA) to improve the state of the art in WPREs detection. The swinging door algorithm (SDA) is utilized to segregate wind power data through a piecewise linear approximation. A dynamic programming algorithm is performed to optimize the segments by: 1) merging adjacent segments with the same ramp changing direction; 2) handling wind power bumps; and 3) postprocessing insignificant-ramps intervals. Measured wind power data from two case studies are utilized to evaluate the performance of the proposed OpSDA. Results show that the OpSDA provides 1) significantly better performance than the SDA and 2) equal-to-better performance compared to the L1-Ramp Detect with Sliding Window (L1-SW) method with significantly less computational time.
C1 [Cui, Mingjian; Ke, Deping; Sun, Yuanzhang] Wuhan Univ, Sch Elect Engn, Wuhan 430072, Peoples R China.
[Zhang, Jie; Florita, Anthony R.; Hodge, Bri-Mathias] NREL, Golden, CO 80401 USA.
RP Cui, MJ (reprint author), Wuhan Univ, Sch Elect Engn, Wuhan 430072, Peoples R China.
EM mj_cui@whu.edu.cn; jie.zhang@nrel.gov; anthony.florita@nrel.gov;
bri.mathias.hodge@nrel.gov; kedeping@whu.edu.cn;
yzsun@mail.tsinghua.edu.cn
FU U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable
Energy Laboratory; National Basic Research Program of China
[2012CB215101]; National Natural Science Foundation of China [51107090]
FX This work was supported by the U.S. Department of Energy under Contract
DE-AC36-08-GO28308 with the National Renewable Energy Laboratory, in
part by the National Basic Research Program of China under Grant
2012CB215101, and in part by the National Natural Science Foundation of
China under Grant 51107090. Paper no. TSTE-00343-2015.
NR 24
TC 1
Z9 1
U1 0
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 2016
VL 7
IS 1
BP 150
EP 162
DI 10.1109/TSTE.2015.2477244
PG 13
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Electrical & Electronic
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA CZ8HL
UT WOS:000367340700015
ER
PT J
AU Lee, J
Muljadi, E
Sorensen, P
Kang, YC
AF Lee, Jinsik
Muljadi, Eduard
Sorensen, Poul
Kang, Yong Cheol
TI Releasable Kinetic Energy-Based Inertial Control of a DFIG Wind Power
Plant
SO IEEE TRANSACTIONS ON SUSTAINABLE ENERGY
LA English
DT Article
DE Inertial control; doubly fed induction generator (DFIG); releasable
kinetic energy; loop gain; power limit; torque limit
ID FREQUENCY-CONTROL; TURBINES; SYSTEMS; PENETRATION
AB Wind turbine generators (WTGs) in a wind power plant (WPP) contain different levels of releasable kinetic energy (KE) because of the wake effects. This paper proposes a releasable KE-based inertial control scheme for a doubly fed induction generator (DFIG) WPP that differentiates the contributions of the WTGs depending on their stored KE. The proposed KE-based gain scheme aims to make use of the releasable KE in a WPP to raise the frequency nadir. To achieve this, two additional loops for the inertial control are implemented in each DFIG controller: the rate of change of frequency and droop loops. The proposed scheme adjusts the two loop gains in a DFIG controller depending on its rotor speed so that a DFIG operating at a higher rotor speed releases more KE. The performance of the proposed scheme was investigated under various wind conditions. The results clearly indicate that the proposed scheme successfully improves the frequency nadir more than the conventional same gain scheme by releasing more KE stored in a WPP, and it helps all WTGs to ensure stable operation during inertial control by avoiding the rotor speed reaching the minimum speed limit.
C1 [Lee, Jinsik] Chonbuk Natl Univ, Dept Elect Engn, Jeonju, South Korea.
[Lee, Jinsik] Chonbuk Natl Univ, WeGAT Res Ctr, Jeonju, South Korea.
[Muljadi, Eduard] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Sorensen, Poul] Tech Univ Denmark, Dept Wind Energy, DK-4000 Roskilde, Denmark.
[Kang, Yong Cheol] Chonbuk Natl Univ, Dept Elect Engn, WeGAT Res Ctr, Jeonju, South Korea.
[Kang, Yong Cheol] Chonbuk Natl Univ, Smart Grid Res Ctr, Jeonju, South Korea.
RP Lee, J (reprint author), Chonbuk Natl Univ, Dept Elect Engn, Jeonju, South Korea.
EM jinsiklee@jbnu.ac.kr; eduard.muljadi@nrel.gov; posq@dtu.dk;
yckang@jbnu.ac.kr
RI Sorensen, Poul/C-6263-2008
OI Sorensen, Poul/0000-0001-5612-6284
FU National Research Foundation of Korea (NRF) - Korea government (MSIP)
[2010-0028509]; U.S. Department of Energy [DE-AC36-08-GO28308]; NREL
FX This work was supported by the National Research Foundation of Korea
(NRF) funded by the Korea government (MSIP) under Grant 2010-0028509.
NREL's contribution to this work was supported by the U.S. Department of
Energy under Contract No. DE-AC36-08-GO28308 with the NREL. Paper No.
TSTE-00163-2015.
NR 27
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U1 1
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 2016
VL 7
IS 1
BP 279
EP 288
DI 10.1109/TSTE.2015.2493165
PG 10
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Electrical & Electronic
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA CZ8HL
UT WOS:000367340700028
ER
PT J
AU Wang, C
Liu, F
Wang, JH
Wei, W
Mei, SW
AF Wang, Cheng
Liu, Feng
Wang, Jianhui
Wei, Wei
Mei, Shengwei
TI Risk-Based Admissibility Assessment of Wind Generation Integrated into a
Bulk Power System
SO IEEE TRANSACTIONS ON SUSTAINABLE ENERGY
LA English
DT Article
DE Wind power admissibility; unit commitment; generation dispatch; risk
assessment; uncertainty
ID CONSTRAINED UNIT COMMITMENT; STOCHASTIC SECURITY; ROBUST OPTIMIZATION;
MODELS; MANAGEMENT; DISPATCH
AB The increasing integration of large-scale volatile and uncertain wind generation has brought great challenges to power system operations. In this paper, a risk-based admissibility assessment approach is proposed to quantitatively evaluate how much wind generation can be accommodated by the bulk power system under a given unit commitment (UC) strategy. First, the operational risk brought by the variation and uncertainty of wind generation is developed as an admissibility measure of wind generation. Then its linear approximation is derived for practical implementation. Furthermore, a risk-minimization model is established to mathematically characterize the admissible region of wind generation. This model can be solved effectively by a modified column and constraint generation (C&CG) algorithm. Simulations on the IEEE 9-bus system and the real Guangdong power grid 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] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA.
RP Wang, C (reprint author), Tsinghua Univ, Dept Elect Engn & Appl Elect Technol, State Key Lab Power Syst, Beijing 100084, Peoples R China.
EM c-w12@mails.tsinghua.edu.cn; lfeng@mail.tsinghua.edu.cn;
jianhui.wang@anl.gov; wei-wei04@mails.tsinghua.edu.cn;
meishengwei@mail.tsinghua.edu.cn
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]
FX This work was supported in part by the China State Grid Corp Science and
Technology Project (SGSXDKY-DWKJ2015-001), in part by the Foundation for
Innovative Research Groups of the National Natural Science Foundation of
China under Grant 51321005, and in part by the Special Fund of National
Basic Research Program of China under Grant 2012CB215103. Paper no.
TSTE-00210-2015.
NR 25
TC 1
Z9 1
U1 1
U2 7
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 2016
VL 7
IS 1
BP 325
EP 336
DI 10.1109/TSTE.2015.2495299
PG 12
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Electrical & Electronic
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA CZ8HL
UT WOS:000367340700032
ER
PT J
AU Wu, HY
Shahidehpour, M
Alabdulwahab, A
Abusorrah, A
AF Wu, Hongyu
Shahidehpour, Mohammad
Alabdulwahab, Ahmed
Abusorrah, Abdullah
TI A Game Theoretic Approach to Risk-Based Optimal Bidding Strategies for
Electric Vehicle Aggregators in Electricity Markets With Variable Wind
Energy Resources
SO IEEE TRANSACTIONS ON SUSTAINABLE ENERGY
LA English
DT Article
DE Electric vehicle aggregators; strategic bidding; wind energy;
conditional value at risk (CVaR); incomplete information; Nash
equilibrium
ID POWER; COORDINATION; INTEGRATION; SCUC
AB This paper proposes a stochastic optimization model for optimal bidding strategies of electric vehicle (EV) aggregators in day-ahead energy and ancillary services markets with variable wind energy. The forecast errors of EV fleet characteristics, hourly loads, and wind energy as well as random outages of generating units and transmission lines are considered as potential uncertainties, which are represented by scenarios in the Monte Carlo Simulation (MCS). The conditional value at risk (CVaR) index is utilized for measuring EV aggregators' risks caused by the uncertainties. The EV aggregator's optimal bidding strategy is formulated as a mathematical programming with equilibrium constraints (MPEC), in which the upper level problem is the aggregators' CVaR maximization while the lower level problem corresponds to the system operation cost minimization. The bi-level problem is transformed into a single-level mixed integer linear programming (MILP) problem using the prime-dual formulation with linearized constraints. The progressive hedging algorithm (PHA) is utilized to solve the resulting single-level-MILP problem. A game theoretic approach is developed for analyzing the competition among the EV aggregators. Numerical cases are studied for a modified 6-bus system and the IEEE 118-bus system. The results show the validity of the proposed approach and the impact of the aggregator's bidding strategies on the stochastic electricity market operation.
C1 [Wu, Hongyu] Natl Renewable Energy Lab, Power Syst Engn Ctr, Golden, CO 80401 USA.
[Shahidehpour, Mohammad] IIT, Robert W Galvin Ctr Elect Innovat, Chicago, IL 60616 USA.
[Shahidehpour, Mohammad] King Abdulaziz Univ, Dept Elect & Comp Engn, Jeddah 21589, Saudi Arabia.
[Alabdulwahab, Ahmed; Abusorrah, Abdullah] King Abdulaziz Univ, Dept Elect & Comp Engn, Renewable Energy Res Grp, Jeddah 21589, Saudi Arabia.
RP Wu, HY (reprint author), Natl Renewable Energy Lab, Power Syst Engn Ctr, Golden, CO 80401 USA.
EM hongyu.wu@nrel.gov; ms@iit.edu
OI Wu, Hongyu/0000-0002-5223-6635
FU National Science, Technology, and Innovation Plan Strategic Technologies
Program in the Kingdom of Saudi Arabia [12-ENE3194-03]
FX This work was supported by the National Science, Technology, and
Innovation Plan Strategic Technologies Program in the Kingdom of Saudi
Arabia under Project Grant 12-ENE3194-03. Paper no. TSTE-00038-2014.
NR 28
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U1 1
U2 14
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 2016
VL 7
IS 1
BP 374
EP 385
DI 10.1109/TSTE.2015.2498200
PG 12
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Electrical & Electronic
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA CZ8HL
UT WOS:000367340700037
ER
PT J
AU Cavagnaro, RJ
Neely, JC
Fay, FX
Mendia, JL
Rea, JA
AF Cavagnaro, Robert J.
Neely, Jason C.
Fay, Franois-Xavier
Lopez Mendia, Joseba
Rea, Judith A.
TI Evaluation of Electromechanical Systems Dynamically Emulating a
Candidate Hydrokinetic Turbine
SO IEEE TRANSACTIONS ON SUSTAINABLE ENERGY
LA English
DT Article
DE Energy conversion; hydrokinetic generator; emulation; motor drives;
renewable energy; turbine power takeoff; hardware-in-the-loop
ID ENERGY-CONVERSION SYSTEMS; SLIDING MODE CONTROL; SIMULATOR
AB Implications of conducting hardware-in-the-loop testing of a specific hydrokinetic turbine on controllable motor-generator sets or electromechanical emulation machines (EEMs) are explored. The emulator control dynamic equations are presented, methods for scaling turbine parameters are developed and evaluated, and experimental results are presented from three EEMs programmed to emulate the same vertical-axis fixed-pitch turbine. Although hardware platforms and control implementations varied, results show that each EEM is successful in emulating the turbine model at different power levels, thus demonstrating the general feasibility of the approach. However, performance of motor control under torque command, current command, or speed command differed. In a demonstration of the intended use of an EEM for evaluating a hydrokinetic turbine implementation, a power takeoff controller tracks the maximum power-point of the turbine in response to turbulence. Utilizing realistic inflow conditions and control laws, the emulator dynamic speed response is shown to agree well at low frequencies with numerical simulation but to deviate at high frequencies.
C1 [Cavagnaro, Robert J.] Univ Washington, NNMREC, Seattle, WA 98195 USA.
[Neely, Jason C.] Sandia Natl Labs, Albuquerque, NM 87123 USA.
[Fay, Franois-Xavier; Lopez Mendia, Joseba] Tecnalia, E-48170 Bilbao, Spain.
[Rea, Judith A.] Natl Univ Ireland Univ Coll Cork, MaREI Beaufort, Cork, Ireland.
RP Cavagnaro, RJ (reprint author), Univ Washington, NNMREC, Seattle, WA 98195 USA.
EM rcav@uw.edu; jneely@sandia.gov; francois-xavier.fay@tecnalia.com;
joseba.lopez@tecnalia.com; j.rea@ucc.ie
RI Fay, Francois-Xavier/P-6821-2015
OI Fay, Francois-Xavier/0000-0002-6600-9927
FU Department of Energy (DOE) Office of Energy Efficiency and Renewable
Energy (EERE) Postdoctoral Research Awards under the EERE Water Power
Program; Sandia National Laboratories; U.S. Department of Energy's
National Nuclear Security Administration [DE-AC04-94AL85000]; European
Union [607656]
FX This work was supported in part by the Department of Energy (DOE) Office
of Energy Efficiency and Renewable Energy (EERE) Postdoctoral Research
Awards under the EERE Water Power Program administered by the Oak Ridge
Institute for Science and Education (ORISE) for the DOE, in part by
Sandia National Laboratories, a multiprogram 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, in part by the
People Programme (Marie Curie Actions) of the European Union's Seventh
Framework Programme FP7/2007-2013/ under REA Grant 607656. Paper no.
TSTE-00530-2014.
NR 22
TC 0
Z9 0
U1 0
U2 1
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 2016
VL 7
IS 1
BP 390
EP 399
DI 10.1109/TSTE.2015.2492943
PG 10
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Electrical & Electronic
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA CZ8HL
UT WOS:000367340700039
ER
PT J
AU Mittal, S
Vetter, JS
AF Mittal, Sparsh
Vetter, Jeffrey S.
TI EqualWrites: Reducing Intra-set Write Variations for Enhancing Lifetime
of Non-Volatile Caches
SO IEEE TRANSACTIONS ON VERY LARGE SCALE INTEGRATION (VLSI) SYSTEMS
LA English
DT Article
DE Cache memory; device lifetime; intra-set write variation (WV);
non-volatile memory (NVM or NVRAM); wear leveling
ID STT-RAM CACHE; LOW-POWER; MEMORY; ARCHITECTURE; ENERGY; TECHNOLOGY;
MODEL
AB Driven by the trends of increasing core-count and bandwidth-wall problem, the size of last level caches has greatly increased, and hence the researchers have explored non-volatile memories (NVMs) that provide high density and consume low-leakage power. Since NVMs have low write endurance and the existing cache management policies are write variation (WV) unaware, effective wear-leveling techniques (WLTs) are required for achieving reasonable cache lifetimes using NVMs. We present EqualWrites, a technique for mitigating intra-set WV. Our technique works by recording the number of writes on a block and changing the cache-block location of a hot data item to redirect the future writes to a cold block to achieve wear leveling. Simulation experiments have been performed using an x86-64 simulator and benchmarks from SPEC06 and high-performance computing field. The results show that for single-, dual-, and quad-core system configurations, EqualWrites improves cache lifetime by 6.31x, 8.74x, and 10.54x, respectively. In addition, its implementation overhead is very small and it provides larger improvement in lifetime than three other intra-set WLTs and a cache replacement policy.
C1 [Mittal, Sparsh; Vetter, Jeffrey S.] Future Technol Grp, Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Mittal, S (reprint author), Future Technol Grp, Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM sparsh0mittal@gmail.com; vetter@computer.org
FU U.S. Department of Energy [DE-AC05-00OR22725]
FX 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/doepublic-access-plan).
NR 42
TC 1
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U1 0
U2 2
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 1063-8210
EI 1557-9999
J9 IEEE T VLSI SYST
JI IEEE Trans. Very Large Scale Integr. (VLSI) Syst.
PD JAN
PY 2016
VL 24
IS 1
BP 103
EP 114
DI 10.1109/TVLSI.2015.2389113
PG 12
WC Computer Science, Hardware & Architecture; Engineering, Electrical &
Electronic
SC Computer Science; Engineering
GA CZ7EE
UT WOS:000367261900010
ER
PT J
AU Liu, Y
Li, N
Bufford, D
Lee, JH
Wang, J
Wang, H
Zhang, X
AF Liu, Y.
Li, N.
Bufford, D.
Lee, J. H.
Wang, J.
Wang, H.
Zhang, X.
TI In Situ Nanoindentation Studies on Detwinning and Work Hardening in
Nanotwinned Monolithic Metals
SO JOM
LA English
DT Review
ID STRAIN-RATE SENSITIVITY; CENTERED-CUBIC METALS; INCOHERENT TWIN
BOUNDARIES; FCC METALS; STRENGTHENING MECHANISMS; NANOSTRUCTURED METALS;
MAXIMUM STRENGTH; NANOSCALE TWINS; STACKING-FAULT; GROWTH TWINS
AB Certain nanotwinned (nt) metals have rare combinations of high mechanical strength and ductility. In this article, we review recent in situ nanoindentation studies (using transmission electron microscopes) on the deformation mechanisms of nt face-centered cubic metals including Cu, Ni, and Al with a wide range of stacking fault energy (SFE). In nt Cu with low-to-intermediate SFE, detwinning (accompanied by rapid twin boundary migration) occurs at ultralow stress. In Ni with relatively high SFE, coherent {111} twin boundaries lead to substantial work hardening. Twinned Al has abundant {112} incoherent twin boundaries, which induce significant work- hardening capability and plasticity in Al. Twin boundaries in Al also migrate but at very high stresses. Furthermore, molecular dynamics simulations reveal the influence of SFE on deformation mechanisms in twinned metals.
C1 [Liu, Y.; Bufford, D.; Lee, J. H.; Wang, H.; Zhang, X.] Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 USA.
[Li, N.] Los Alamos Natl Lab, Mat Phys & Applicat Div, MPA CINT, Los Alamos, NM 87545 USA.
[Wang, J.] Univ Nebraska, Dept Mech & Mat Engn, Lincoln, NE 68583 USA.
[Wang, H.] Texas A&M Univ, Dept Elect & Comp Engn, College Stn, TX 77843 USA.
[Zhang, X.] Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA.
RP Liu, Y (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
EM yueliu@lanl.gov; zhangx@tamu.edu
RI Wang, Jian/F-2669-2012; Liu, Yue/H-4071-2014; Li, Nan /F-8459-2010
OI Wang, Jian/0000-0001-5130-300X; Liu, Yue/0000-0001-8518-5734; Li, Nan
/0000-0002-8248-9027
FU DoE-OBES [DE-SC0010482]; Office of Naval Research [N000141310555]; U.S.
Department of Energy, Office of Science, Office of Basic Energy
Sciences; Los Alamos National Laboratory Directed Research and
Development [LDRD-ER20140450]
FX X.Z. acknowledges financial support by DoE-OBES under Grant No.
DE-SC0010482. H.W. acknowledges the support from the Office of Naval
Research (under Dr. Lawrence Kabacoff and Dr. Antti Makinen, Grant No.
N000141310555). Access to DOE-Center for Integrated Nanotechnologies
(CINT) at Los Alamos and Sandia National Laboratories and the use of
microscopes at the Microscopy and Imaging Center at Texas A&M University
are also acknowledged. J.W. acknowledges the support provided by the
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences and the Los Alamos National Laboratory Directed Research and
Development (Grant No. LDRD-ER20140450).
NR 53
TC 3
Z9 3
U1 7
U2 28
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 2016
VL 68
IS 1
BP 127
EP 135
DI 10.1007/s11837-015-1518-1
PG 9
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA CZ4WF
UT WOS:000367102800020
ER
PT J
AU Mara, NA
Li, N
Misra, A
Wang, J
AF Mara, Nathan A.
Li, Nan
Misra, Amit
Wang, Jian
TI Interface-Driven Plasticity in Metal-Ceramic Nanolayered Composites:
Direct Validation of Multiscale Deformation Modeling via In Situ
Indentation in TEM
SO JOM
LA English
DT Article
ID TRANSMISSION ELECTRON-MICROSCOPY; MECHANICAL-PROPERTIES; MULTILAYERED
COMPOSITES; NANOINDENTATION; BEHAVIOR; FILMS; NANOCOMPOSITES; STRENGTH;
FLOW
AB We present in situ indentation in a transmission electron microscope on Al-TiN multilayers with individual layer thicknesses of 50 nm and 2.7 nm to explore the effect of length scales on the plastic co-deformability of a metal and a ceramic. At 50 nm, plasticity was confined to the Al layers with brittle fracture in the TiN layers. At 5 nm and below, cracking in TiN was suppressed with co-deformation evident in both layers. The in situ transmission electron microscopy (TEM) straining results demonstrate a profound size effect in enhancing plastic co-deformability in nanoscale metal-ceramic multilayers, as well as direct validation of ex situ and 3-D elastic-plastic deformation models.
C1 [Mara, Nathan A.] Los Alamos Natl Lab, Inst Mat Sci, Los Alamos, NM 87545 USA.
[Mara, Nathan A.; Li, Nan] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
[Misra, Amit] Univ Michigan, Dept Mat Sci, Ann Arbor, MI 48109 USA.
[Wang, Jian] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
[Wang, Jian] Univ Nebraska, Dept Mech & Mat Engn, Lincoln, NE USA.
RP Mara, NA (reprint author), Los Alamos Natl Lab, Inst Mat Sci, Los Alamos, NM 87545 USA.
EM namara@lanl.gov; nanli@lanl.gov
RI Wang, Jian/F-2669-2012; Li, Nan /F-8459-2010
OI Wang, Jian/0000-0001-5130-300X; Li, Nan /0000-0002-8248-9027
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences; National Nuclear Security Administration of the U.S.
Department of Energy [DE-AC52-06NA25396]
FX The authors gratefully acknowledge support from the U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences. This work
was 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. Los Alamos National Laboratory, an
affirmative action equal opportunity employer, is operated by Los Alamos
National Security, LLC, for the National Nuclear Security Administration
of the U.S. Department of Energy under Contract DE-AC52-06NA25396.
NR 38
TC 3
Z9 3
U1 6
U2 15
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 2016
VL 68
IS 1
BP 143
EP 150
DI 10.1007/s11837-015-1542-1
PG 8
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA CZ4WF
UT WOS:000367102800022
ER
PT J
AU Clarke, AJ
AF Clarke, Amy J.
TI Phase Transformations and Microstructural Evolution: Part II
SO JOM
LA English
DT Editorial Material
C1 [Clarke, Amy J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Clarke, AJ (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM aclarke@lanl.gov
NR 0
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 2016
VL 68
IS 1
BP 168
EP 169
DI 10.1007/s11837-015-1686-z
PG 2
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA CZ4WF
UT WOS:000367102800024
ER
PT J
AU Gibbs, JW
Tourret, D
Gibbs, PJ
Imhoff, SD
Gibbs, MJ
Walker, BA
Fezzaa, K
Clarke, AJ
AF Gibbs, John W.
Tourret, Damien
Gibbs, Paul J.
Imhoff, Seth D.
Gibbs, Meghan J.
Walker, Brandon A.
Fezzaa, Kamel
Clarke, Amy J.
TI In Situ X-Ray Observations of Dendritic Fragmentation During Directional
Solidification of a Sn-Bi Alloy
SO JOM
LA English
DT Article
ID GRAIN-REFINEMENT; UNIDIRECTIONAL SOLIDIFICATION; UNDERCOOLED MELTS;
ALUMINUM-ALLOYS; AL-CU; RADIOGRAPHY; GROWTH; MICROSTRUCTURE;
INOCULATION; INFORMATION
AB Dendrite fragmentation is an important phenomenon in microstructural development during solidification. For instance, it plays a key role in initiating the columnar-to-equiaxed transition (CET). Here, we use x-ray radiography to study dendrite fragmentation rate in a Sn-39.5 wt.% Bi alloy during directional solidification. Experiments were performed in which solidification was parallel and anti-parallel to gravity, leading to significantly different fragmentation rates. We quantify the distribution of fragmentation rate as a function of distance from the solidification front, time in the mushy zone, and volume fraction of solid. While the observed fragmentation rate can be high, there is no evidence of a CET, illustrating that it requires more than just fragmentation to occur.
C1 [Gibbs, John W.; Tourret, Damien; Gibbs, Paul J.; Imhoff, Seth D.; Gibbs, Meghan J.; Walker, Brandon A.; Clarke, Amy J.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
[Fezzaa, Kamel] Argonne Natl Lab, Adv Photon Source, Lemont, IL USA.
RP Gibbs, JW (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
EM jwgibbs@lanl.gov
RI Tourret, Damien/B-2854-2017;
OI Tourret, Damien/0000-0003-4574-7004; Gibbs, John/0000-0002-0231-1318
FU U.S. Department of Energy, Office of Science, Basic Energy Sciences; DOE
Office of Science by Argonne National Laboratory [DE-AC02-06CH11357];
U.S. Department of Energy [DE-AC52-06NA25396]
FX The authors would like to thank T.V. Beard, R.W. Hudson, B.S. Folks,
D.A. Aragon, K.D. Clarke (LANL), and Alex Deriy (APS) for their support
with experiment preparations. This research was supported by the U.S.
Department of Energy, Office of Science, Basic Energy Sciences under
AJC's Early Career Award. 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 and Los Alamos National
Laboratory, operated by Los Alamos National Security, LLC under contract
DE-AC52-06NA25396 for the U.S. Department of Energy.
NR 31
TC 1
Z9 1
U1 2
U2 15
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 2016
VL 68
IS 1
BP 170
EP 177
DI 10.1007/s11837-015-1646-7
PG 8
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA CZ4WF
UT WOS:000367102800025
ER
PT J
AU Clarke, KD
Van Tyne, CJ
Lee, SJ
AF Clarke, Kester D.
Van Tyne, Chester J.
Lee, Seok-Jae
TI Correlation Between Crystal Structure Change and Transformation Strain
for Multiphase Transformations
SO JOM
LA English
DT Article
ID AUSTENITE FORMATION; PHASE-TRANSFORMATIONS; HYPOEUTECTOID STEELS;
CONVERSIONAL MODEL; DECOMPOSITION; MARTENSITE; FRACTION; KINETICS;
ALLOYS; MICROSTRUCTURE
AB Transformation strains measured via dilatometry and phase fractions measured by optical metallography were used to develop a two-stage, conversional model to accurately determine phase fraction directly and continuously from measured dilation strains for multiphase transformations. The multiphase ferrite + pearlite to austenite transformation was analyzed here, but the two-stage conversional model developed may also be applied to other multiphase transformations. It was found that the lever rule provides accurate results for single-phase to single-phase transformations; the use of a conversional model is not necessary in this case.
C1 [Clarke, Kester D.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
[Van Tyne, Chester J.] Colorado Sch Mines, Dept Met & Mat Engn, Adv Steel Proc & Prod Res Ctr, Golden, CO 80401 USA.
[Lee, Seok-Jae] Chonbuk Natl Univ, Div Adv Mat Engn, Res Ctr Adv Mat Dev, Jeonju 561756, South Korea.
RP Clarke, KD (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
EM kclarke@lanl.gov; seokjaelee@jbnu.ac.kr
RI Clarke, Kester/R-9976-2016
FU Advanced Steel Processing and Products Research Center at the Colorado
School of Mines (CSM); SeAH Besteel R&D Center and Business for
Academic-industrial Cooperative [1503002010]; National Nuclear Security
Administration of the U.S. Department of Energy [DEAC52-06NA25396];
Innovative Manufacturing Initiative of the Office of Advanced
Manufacturing (AMO) at the US Department of Energy [DE-EE0005765]
FX Partial support from the Advanced Steel Processing and Products Research
Center at the Colorado School of Mines (CSM) is gratefully acknowledged.
SJL appreciates the support by SeAH Besteel R&D Center and Business for
Academic-industrial Cooperative establishments funded Korea Small and
Medium Business Administration in 2014 (Grant No. 1503002010). Los
Alamos National Laboratory, an affirmative action equal opportunity
employer, is operated by Los Alamos National Security, LLC, for the
National Nuclear Security Administration of the U.S. Department of
Energy under contract DEAC52-06NA25396. KDC was partially supported by
the Innovative Manufacturing Initiative of the Office of Advanced
Manufacturing (AMO) at the US Department of Energy (Award DE-EE0005765)
during the preparation of this manuscript.
NR 20
TC 2
Z9 2
U1 2
U2 5
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 2016
VL 68
IS 1
BP 198
EP 202
DI 10.1007/s11837-015-1670-7
PG 5
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA CZ4WF
UT WOS:000367102800028
ER
PT J
AU Kahkonen, J
Pierce, DT
Speer, JG
De Moor, E
Thomas, GA
Coughlin, D
Clarke, K
Clarke, A
AF Kaehkoenen, J.
Pierce, D. T.
Speer, J. G.
De Moor, E.
Thomas, G. A.
Coughlin, D.
Clarke, K.
Clarke, A.
TI Quenched and Partitioned CMnSi Steels Containing 0.3 wt.% and 0.4 wt.%
Carbon
SO JOM
LA English
DT Article
ID MARTENSITE
AB The effect of partitioning parameters on mechanical properties and carbon partitioning in quenching and partitioning (Q&P)-treated C-1.5Mn-1.5Si steels was studied using 0.3 wt.% and 0.4 wt.% carbon compositions. Fully austenitized specimens were quenched to a fixed quenching temperature followed by partitioning at 400 degrees C and 450 degrees C for varying times. In most cases, increasing the partitioning temperature decreased UTS and increased TE, and both UTS and TE decreased with increasing partitioning times. Similar ultimate tensile strength levels were obtained for the 0.3C alloy partitioned at 400 degrees C and the 0.4C alloy partitioned at 450 degrees C. Increasing alloy carbon content increased retained austenite fractions. Mossbauer effect spectroscopy results were used to investigate carbon redistribution after Q&P processing in the 0.4C alloy.
C1 [Kaehkoenen, J.; Pierce, D. T.; Speer, J. G.; De Moor, E.] Colorado Sch Mines, Adv Steel Proc & Prod Res Ctr, Golden, CO 80401 USA.
[Thomas, G. A.] AK Steel Res, Middletown, OH 45044 USA.
[Coughlin, D.; Clarke, K.; Clarke, A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Kahkonen, J (reprint author), Colorado Sch Mines, Adv Steel Proc & Prod Res Ctr, 1500 Illinois St, Golden, CO 80401 USA.
EM edemoor@mines.edu
RI de moor, emmanuel/E-9373-2012
OI de moor, emmanuel/0000-0001-6538-1121
FU Department of Energy Advanced Manufacturing Office [DE-EE0005765];
Advanced Steel Processing and Products Research Center, an
industry-university cooperative research center at the Colorado School
of Mines
FX This material is based upon work supported by the Department of Energy
Advanced Manufacturing Office under Award Number DE-EE0005765. The
support of the sponsors of the Advanced Steel Processing and Products
Research Center, an industry-university cooperative research center at
the Colorado School of Mines is gratefully acknowledged.
NR 13
TC 0
Z9 0
U1 2
U2 15
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 2016
VL 68
IS 1
BP 210
EP 214
DI 10.1007/s11837-015-1620-4
PG 5
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA CZ4WF
UT WOS:000367102800030
ER
PT J
AU Li, N
Zhou, CZ
AF Li, Nan
Zhou, Caizhi
TI Dynamic Probing of Microstructure Evolution in Nanostructured Materials
SO JOM
LA English
DT Editorial Material
C1 [Li, Nan] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Zhou, Caizhi] Missouri Univ Sci & Technol, Rolla, MO USA.
RP Li, N (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM nanli@lanl.gov; zhouc@mst.edu
RI Li, Nan /F-8459-2010
OI Li, Nan /0000-0002-8248-9027
NR 0
TC 0
Z9 0
U1 0
U2 3
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 2016
VL 68
IS 1
BP 224
EP 225
DI 10.1007/s11837-015-1715-y
PG 2
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA CZ4WF
UT WOS:000367102800032
ER
PT J
AU Liu, Y
Wang, H
Zhang, X
AF Liu, Y.
Wang, H.
Zhang, X.
TI In Situ TEM Nanoindentation Studies on Stress-Induced Phase
Transformations in Metallic Materials
SO JOM
LA English
DT Article
ID SHAPE-MEMORY ALLOYS; FIELD-INDUCED STRAINS; TRANSMISSION
ELECTRON-MICROSCOPY; MARTENSITIC TRANSFORMATIONS; AMORPHOUS-ALLOYS;
ROOM-TEMPERATURE; MECHANICAL-PROPERTIES; DEFORMATION-BEHAVIOR;
SINGLE-CRYSTALS; SHEAR BANDS
AB Although abundant phase transformations are in general thermally driven processes, there are many examples wherein stresses can induce phase transformations. Numerous in situ techniques, such as in situ x-ray diffraction and neutron diffraction, have been applied to reveal phase transformations. Recently, an in situ nanoindentation technique coupled with transmission electron microscopy demonstrated the capability to directly correlating stresses with phase transformations and microstructural evolutions at a submicron length scale. Here we briefly review in situ studies on stress-induced diffusional and diffusionless phase transformations in amorphous CuZrAl alloy and NiFeGa shape memory alloy. In the amorphous CuZrAl, in situ nanoindentation studies show that the nucleation of nanocrystals (a diffusional process) occurs at ultralow stresses manifested by a prominent stress drop. In the NiFeGa shape memory alloy, two distinctive types of martensitic (diffusionless) phase transformations accompanied by stress plateaus are observed, including a reversible gradual phase transformation at low stress levels, and an irreversible abrupt phase transition at higher stress levels.
C1 [Liu, Y.; Wang, H.; Zhang, X.] Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 USA.
[Wang, H.] Texas A&M Univ, Dept Elect & Comp Engn, College Stn, TX 77843 USA.
[Zhang, X.] Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA.
RP Liu, Y (reprint author), Los Alamos Natl Lab, Mat Sci & Technol Div, POB 1663, Los Alamos, NM 87545 USA.
EM yueliu@lanl.gov; zhangx@tamu.edu
RI Liu, Yue/H-4071-2014
OI Liu, Yue/0000-0001-8518-5734
FU NSF-CMMI [1129065, 1161978]; Office of Naval Research [N000141310555]
FX X.Z. and Y.L. acknowledge financial support from NSF-CMMI under Grants
1129065 and 1161978. H.W. acknowledges support from the Office of Naval
Research (under Dr. Lawrence Kabacoff and Dr. Antti Makinen, Grant
N000141310555). The authors thank I. Karaman and J.Z. Jiang for fruitful
discussion and materials synthesis. Access to the DOE-Center for
Integrated Nanotechnologies (CINT) at Los Alamos and Sandia National
laboratories and the use of microscopes at the Microscopy and Imaging
Center at Texas A&M University are also acknowledged.
NR 56
TC 1
Z9 1
U1 11
U2 34
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 2016
VL 68
IS 1
BP 226
EP 234
DI 10.1007/s11837-015-1707-y
PG 9
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA CZ4WF
UT WOS:000367102800033
ER
PT J
AU Chen, Y
Zhang, X
Wang, J
AF Chen, Y.
Zhang, X.
Wang, J.
TI Radiation Enhanced Absorption of Frank Loops by Nanovoids in Cu
SO JOM
LA English
DT Article
ID STACKING-FAULT TETRAHEDRA; IN-SITU; ION IRRADIATION; HE ION; NANOTWINNED
METALS; GRAIN-BOUNDARIES; TWIN BOUNDARIES; VACANCY CLUSTERS; SINK
EFFICIENCY; VOID FORMATION
AB Neutron and heavy ion irradiations generally induce voids in metallic materials, and continuous radiations typically result in void swelling and mechanical failure of the irradiated materials. Recent experiments showed that nanovoids in nanotwinned copper could act as sinks for radiation-induced Frank loops, significantly mitigating radiation damage. In this paper, we report on structural evolution of Frank loops under cascades and address the role of nanovoids in absorbing Frank loops in detail by using molecular dynamics simulations. Results show that a stand-alone Frank loop is stable under cascades. When Frank loops are adjacent to nanovoids, the diffusion of a group of atoms from the loop into nanovoids is accomplished via the formation and propagation of dislocation loops. The loop-nanovoid interactions result in the shrinkage of the nanovoids and the Frank loops.
C1 [Chen, Y.] Los Alamos Natl Lab, MPA CINT, Los Alamos, NM 87545 USA.
[Zhang, X.] Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 USA.
[Zhang, X.] Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA.
[Wang, J.] Univ Nebraska, Dept Mech & Mat Engn, Lincoln, NE 68588 USA.
RP Chen, Y (reprint author), Los Alamos Natl Lab, MPA CINT, POB 1663, Los Alamos, NM 87545 USA.
EM youxing@lanl.gov; jianwang@unl.edu
RI Wang, Jian/F-2669-2012; Chen, Youxing/P-5006-2016
OI Wang, Jian/0000-0001-5130-300X; Chen, Youxing/0000-0003-1111-4495
FU NSF-DMR-Metallic Materials and Nanostructures Program [1304101]; US
Department of Energy, Office of Science, Office of Basic Energy Sciences
FX Wang acknowledges the Start-up support by the University of
Nebraska-Lincoln. Zhang acknowledges financial support by
NSF-DMR-Metallic Materials and Nanostructures Program under Grant No.
1304101. Chen and Wang acknowledge the support provided by the US
Department of Energy, Office of Science, Office of Basic Energy
Sciences.
NR 78
TC 1
Z9 1
U1 5
U2 18
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 2016
VL 68
IS 1
BP 235
EP 241
DI 10.1007/s11837-015-1689-9
PG 7
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA CZ4WF
UT WOS:000367102800034
ER
PT J
AU Shao, S
Wang, J
AF Shao, S.
Wang, J.
TI Relaxation, Structure, and Properties of Semicoherent Interfaces
SO JOM
LA English
DT Review
ID NANOLAYERED COMPOSITES; DISLOCATION NUCLEATION; DEFORMATION MECHANISMS;
THIN-FILMS; COHERENT; BEHAVIOR; DEFECTS; MULTILAYERS; BOUNDARY; NODES
AB Materials containing a high density of interfaces are promising candidates for future energy technologies because interfaces acting as sources, sinks, and barriers for defects can improve mechanical and irradiation properties of materials. A semicoherent interface widely occurring in various materials is composed of a network of misfit dislocations and coherent regions separated by misfit dislocations. In this article, we review the relaxation mechanisms, structure, and properties of (111) semicoherent interfaces in face-centered cubic structures.
C1 [Shao, S.] Los Alamos Natl Lab, Mat Sci & Technol Div, MST 8, Los Alamos, NM 87545 USA.
[Wang, J.] Univ Nebraska, Mech & Mat Engn, Lincoln, NE 68588 USA.
RP Shao, S (reprint author), Los Alamos Natl Lab, Mat Sci & Technol Div, MST 8, POB 1663, Los Alamos, NM 87545 USA.
EM sshao@lanl.gov
RI Wang, Jian/F-2669-2012; Shao, Shuai/B-2037-2014
OI Wang, Jian/0000-0001-5130-300X; Shao, Shuai/0000-0002-4718-2783
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences; Los Alamos National Laboratory Directed Research and
Development [LDRD-ER20140450]
FX S. Shao and J. Wang acknowledge the support provided by the U.S.
Department of Energy, Office of Science, Office of Basic Energy
Sciences. J. Wang also acknowledges the support provided by the Los
Alamos National Laboratory Directed Research and Development
(LDRD-ER20140450) and the start-up provided by the University of
Nebraska-Lincoln. The valuable discussion with Prof. A. Misra, I. J.
Beyerlein, J. P. Hirth, Richard G. Hoagland, and Robert Pond is
appreciated.
NR 46
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U1 3
U2 15
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 2016
VL 68
IS 1
BP 242
EP 252
DI 10.1007/s11837-015-1691-2
PG 11
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering; Mineralogy; Mining & Mineral Processing
SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy;
Mining & Mineral Processing
GA CZ4WF
UT WOS:000367102800035
ER
PT J
AU Koppenaal, DW
AF Koppenaal, David W.
TI JAAS-30 years of manuscripts, citations, and scientific impact
SO JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY
LA English
DT Editorial Material
C1 [Koppenaal, David W.] Pacific NW Natl Lab, Environm Mol Sci Ctr, Richland, WA 99352 USA.
[Koppenaal, David W.] Amer Assoc Advancement Sci, Royal Soc Chem, Washington, DC 20005 USA.
[Koppenaal, David W.] Amer Chem Soc, Washington, DC 20036 USA.
RP Koppenaal, DW (reprint author), Pacific NW Natl Lab, Environm Mol Sci Ctr, Richland, WA 99352 USA.
NR 1
TC 0
Z9 0
U1 1
U2 2
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0267-9477
EI 1364-5544
J9 J ANAL ATOM SPECTROM
JI J. Anal. At. Spectrom.
PY 2016
VL 31
IS 1
BP 18
EP 21
DI 10.1039/c5ja90060c
PG 4
WC Chemistry, Analytical; Spectroscopy
SC Chemistry; Spectroscopy
GA CZ7XY
UT WOS:000367315200003
ER
PT J
AU Bol'shakov, AA
Mao, XL
Gonzalez, JJ
Russo, RE
AF Bol'shakov, Alexander A.
Mao, Xianglei
Gonzalez, Jhanis J.
Russo, Richard E.
TI Laser ablation molecular isotopic spectrometry (LAMIS): current state of
the art
SO JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY
LA English
DT Review
ID INDUCED BREAKDOWN SPECTROSCOPY; OPTICAL-EMISSION SPECTROSCOPY; PRESSURE
GLOW-DISCHARGE; INDUCED PLASMA; DIATOMIC CARBON; RATIO; SPECTRA; SAMPLES
AB Laser Ablation Molecular Isotopic Spectrometry (LAMIS) is a direct and rapid technique that measures optical emission in laser-induced plasmas for isotopic analysis. LAMIS exploits relatively large isotope shifts in spectra of transient molecular isotopologues formed in laser ablation plasma. LAMIS can be performed without sample preparation at atmospheric pressure in open air or inert buffer gases. A spectrometer with modest spectral resolution can be suitable for both LIBS and LAMIS techniques, and thus elemental and isotopic measurements can be accomplished on the same instrument. To date, detection of several isotopes (H, B, C, N, O, Cl, Sr, and Zr) in laser ablation plumes was demonstrated. Precision of quantitative LAMIS measurements was within 9% for the B-10/B-11 ratio determined with confidence of 95% (2 sigma-interval). Simultaneous determination of isotopes of different elements was shown to be physically possible, while determination of several isotopes of the same element was successfully demonstrated (Sr, Zr). The studies on double-pulse LAMIS and femtosecond LAMIS indicated further prospects for improving accuracy and sensitivity in this technique. A possibility of semi-quantitative isotopic analysis at distances up to 7.8 m without using calibration standards was demonstrated. The latter technique was named as Femtosecond Filament-induced Laser Ablation Molecular Isotopic Spectrometry (F-2-LAMIS). Application of LAMIS in industrial, laboratory, and field operations is possible; and such measurements can be realized at a standoff distance to the sample.
C1 [Bol'shakov, Alexander A.; Gonzalez, Jhanis J.; Russo, Richard E.] Appl Spectra Inc, Fremont, CA 94538 USA.
[Mao, Xianglei; Gonzalez, Jhanis J.; Russo, Richard E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Russo, RE (reprint author), Appl Spectra Inc, 46665 Fremont Blvd, Fremont, CA 94538 USA.
EM rerusso@lbl.gov
RI Bol'shakov, Alexander/A-9258-2015
OI Bol'shakov, Alexander/0000-0002-6034-7079
FU NASA SBIR [NNX14CA03C]; Defense Nuclear Nonproliferation Research and
Development Office; Office of Basic Energy Sciences of the U.S.
Department of Energy [DE-AC02-05CH11231]
FX This work was funded by NASA SBIR program through the Contract No.
NNX14CA03C granted to Applied Spectra, Inc. The work at the Lawrence
Berkeley National Laboratory was supported by the Defense Nuclear
Nonproliferation Research and Development Office and the Office of Basic
Energy Sciences of the U.S. Department of Energy under contract number
DE-AC02-05CH11231.
NR 49
TC 5
Z9 5
U1 7
U2 39
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0267-9477
EI 1364-5544
J9 J ANAL ATOM SPECTROM
JI J. Anal. At. Spectrom.
PY 2016
VL 31
IS 1
BP 119
EP 134
DI 10.1039/c5ja00310e
PG 16
WC Chemistry, Analytical; Spectroscopy
SC Chemistry; Spectroscopy
GA CZ7XY
UT WOS:000367315200008
ER
PT J
AU Bonta, M
Gonzalez, JJ
Quarles, CD
Russo, RE
Hegedus, B
Limbeck, A
AF Bonta, Maximilian
Gonzalez, Jhanis J.
Quarles, C. Derrick, Jr.
Russo, Richard E.
Hegedus, Balazs
Limbeck, Andreas
TI Elemental mapping of biological samples by the combined use of LIBS and
LA-ICP-MS
SO JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY
LA English
DT Article
ID INDUCED BREAKDOWN SPECTROSCOPY; PLASMA-MASS SPECTROMETRY;
LASER-ABLATION; STRATEGIES
AB In this study a combination of Laser Ablation Inductively Coupled Plasma Mass Spectrometry (LA-ICP-MS) and Laser Induced Breakdown Spectroscopy (LIBS) was used for laterally resolved elemental analysis of biological samples. In general LA-ICP-MS is an excellent technique for the analysis of many trace elements. However, bulk components such as H or O are not accessible using this technique. In addition to those elements, also some other elements that are difficult or impossible to investigate using LA-ICP-MS (i.e., F, N, Cl, etc.), could be detected by LIBS. In this work, the simultaneous use of LIBS and LA-ICP-MS (tandem LA/LIBS) for the analysis of biological samples is presented, opening the door for the possibility of complete analysis of the elemental composition of a human tumor sample. Results show good correlation with the histological stainings. The obtained distribution images provide a valuable basis for further medical interpretation.
C1 [Bonta, Maximilian; Limbeck, Andreas] TU Wien, Inst Chem Technol & Analyt, A-1060 Vienna, Austria.
[Gonzalez, Jhanis J.; Quarles, C. Derrick, Jr.; Russo, Richard E.] Appl Spectra Inc, Fremont, CA USA.
[Gonzalez, Jhanis J.; Russo, Richard E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Hegedus, Balazs] Med Univ Vienna, Ctr Comprehens Canc, Dept Thorac Surg, Vienna, Austria.
[Hegedus, Balazs] Hungarian Acad Sci, MTA SE Mol Oncol Res Grp, Budapest, Hungary.
RP Limbeck, A (reprint author), TU Wien, Inst Chem Technol & Analyt, Getreidemarkt 9-164-IAC, A-1060 Vienna, Austria.
EM Jhanis@appliedspectra.com; andreas.limbeck@tuwien.ac.at
OI Limbeck, Andreas/0000-0001-5042-2445
FU Office of Basic Energy Sciences, Chemical Science Division of the U.S.
Department of Energy; Defense Nuclear Nonproliferation Research and
Development Office of the U.S. Department of Energy [DE-AC02-05CH11231];
MEIBio PhD program of the TU Wien
FX The research was supported by the Office of Basic Energy Sciences,
Chemical Science Division and the Defense Nuclear Nonproliferation
Research and Development Office of the U.S. Department of Energy under
contract number DE-AC02-05CH11231 at the Lawrence Berkeley National
Laboratory. M. B. wants to acknowledge the MEIBio PhD program of the TU
Wien for providing a scholarship for the period 2013-2016.
NR 27
TC 5
Z9 5
U1 11
U2 42
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0267-9477
EI 1364-5544
J9 J ANAL ATOM SPECTROM
JI J. Anal. At. Spectrom.
PY 2016
VL 31
IS 1
BP 252
EP 258
DI 10.1039/c5ja00287g
PG 7
WC Chemistry, Analytical; Spectroscopy
SC Chemistry; Spectroscopy
GA CZ7XY
UT WOS:000367315200021
ER
PT J
AU Hooper, RJ
Adams, DP
Hirschfeld, D
Manuel, MV
AF Hooper, R. J.
Adams, D. P.
Hirschfeld, D.
Manuel, M. V.
TI The Effect of Substrate Microstructure on the Heat-Affected Zone Size in
Sn-Zn Alloys Due to Adjoining Ni-Al Reactive Multilayer Foil Reaction
SO JOURNAL OF ELECTRONIC MATERIALS
LA English
DT Article
DE Microstructurally-informed model; heat flow; phase transformation;
solder alloys; RMF
ID EUTECTIC ALLOYS; LIQUID-METALS; SYSTEMS; SOLIDIFICATION; CADMIUM;
DENSITY; ZINC
AB The rapid release of energy from reactive multilayer foils can create extreme local temperature gradients near substrate materials. In order to fully exploit the potential of these materials, a better understanding of the interaction between the substrate or filler material and the foil is needed. Specifically, this work investigates how variations in local properties within the substrate (i.e. differences between properties in constituent phases) can affect heat transport into the substrate. This can affect the microstructural evolution observed within the substrate, which may affect the final joint properties. The effect of the initial substrate microstructure on microstructural evolution within the heat-affected zone is evaluated experimentally in two Sn-Zn alloys and numerical techniques are utilized to inform the analysis.
C1 [Hooper, R. J.; Manuel, M. V.] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA.
[Adams, D. P.; Hirschfeld, D.] Sandia Natl Labs, Albuquerque, NM 87123 USA.
RP Manuel, MV (reprint author), Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA.
EM mmanuel@mse.ufl.edu
OI Manuel, Michele/0000-0002-3495-7826
FU Sandia Campus Executive Fellowship; United States Department of Energy's
National Nuclear Security Administration [DE-AC04-94AL85000]
FX This work was supported by the Sandia Campus Executive Fellowship.
Sandia National Laboratories is a multi-program laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Company, for the United States Department of Energy's National
Nuclear Security Administration under Contract DE-AC04-94AL85000.
NR 36
TC 0
Z9 0
U1 1
U2 23
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0361-5235
EI 1543-186X
J9 J ELECTRON MATER
JI J. Electron. Mater.
PD JAN
PY 2016
VL 45
IS 1
BP 1
EP 11
DI 10.1007/s11664-015-3941-z
PG 11
WC Engineering, Electrical & Electronic; Materials Science,
Multidisciplinary; Physics, Applied
SC Engineering; Materials Science; Physics
GA DA0DV
UT WOS:000367467800001
ER
PT J
AU Christensen, ST
Nordlund, D
Olson, T
Hurst, KE
Dameron, AA
O'Neill, KJ
Bult, JB
Dinh, HN
Gennett, T
AF Christensen, Steven T.
Nordlund, Dennis
Olson, Timothy
Hurst, Katherine E.
Dameron, Arrelaine A.
O'Neill, Kevin J.
Bult, Justin B.
Dinh, Huyen N.
Gennett, Thomas
TI A core-level spectroscopic investigation of the preparation and
electrochemical cycling of nitrogen-modified carbon as a model catalyst
support
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID RAY-ABSORPTION SPECTROSCOPY; SHELL EXCITATION-SPECTRA; FUEL-CELL;
ELECTRONIC-STRUCTURE; GAS-PHASE; NEAR-EDGE; GRAPHITE; PLATINUM; NITRIDE;
DURABILITY
AB The synthesis and electrochemical cycling of platinum-ruthenium nanoparticles sputtered onto nitrogen-implanted highly-oriented-pyrolytic-graphite (HOPG) was studied with soft X-ray spectroscopy. The near edge X-ray absorption fine structure (NEXAFS) of the carbon 1s, nitrogen 1s, and oxygen 1s transitions were measured as a function of sample preparation and electrochemical cycling. The NEXAFS of the C 1s edge indicate defect formation in the graphitic (sp(2)) network of the carbon support due to implantation. The primary nitrogen species include pyridinic, nitrilic, and graphitic with no evidence of pyrrolic nitrogen. Upon exposure to ambient conditions, the carbon defects react and produce both -C=O and -C-OH species. Sputtering Pt : Ru and subsequent air exposure introduces more defects that react with ambient oxygen to increase the number of -C=O species. The samples also show signs of oxidization after implantation. Electrochemical cycling of the samples restores the C 1s fine structure associated with graphitic (sp(2)) carbon and alters the concentration of nitrogen species associated with the nitrile functional groups. The cycling also induces platinum oxidation and ruthenium loss, determined from X-ray photoelectron spectroscopy (XPS) of the Pt 4f, Ru 3d and Ru 3p. The results provide useful evidence of the types of nitrogen species that are present after electrochemical processes which can be used in the rational design of future electrocatalyst systems.
C1 [Christensen, Steven T.; Olson, Timothy; Hurst, Katherine E.; Dameron, Arrelaine A.; O'Neill, Kevin J.; Bult, Justin B.; Dinh, Huyen N.; Gennett, Thomas] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Nordlund, Dennis] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94023 USA.
RP Gennett, T (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM Thomas.Gennett@nrel.gov
RI Nordlund, Dennis/A-8902-2008
OI Nordlund, Dennis/0000-0001-9524-6908
FU U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable
Energy Laboratory
FX This work was supported by the U.S. Department of Energy under Contract
No. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory.
Portions of this research were carried out at the Stanford Synchrotron
Radiation Lightsource, a Directorate of SLAC National Accelerator
Laboratory and an Office of Science User Facility operated for the U.S.
Department of Energy Office of Science by Stanford University.
NR 45
TC 1
Z9 1
U1 1
U2 16
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
EI 2050-7496
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2016
VL 4
IS 2
BP 443
EP 450
DI 10.1039/c5ta07038d
PG 8
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA CZ7IJ
UT WOS:000367272800013
ER
PT J
AU Yang, X
Zhou, Z
Nan, T
Gao, Y
Yang, GM
Liu, M
Sun, NX
AF Yang, X.
Zhou, Z.
Nan, T.
Gao, Y.
Yang, G. M.
Liu, M.
Sun, N. X.
TI Recent advances in multiferroic oxide heterostructures and devices
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Review
ID MICROWAVE PHASE-SHIFTER; FERRITE-PIEZOELECTRIC COMPOSITES; THIN-FILM
HETEROSTRUCTURES; MAGNETIC TUNNEL-JUNCTIONS; RANDOM-ACCESS MEMORY;
ELECTRIC-FIELD; ROOM-TEMPERATURE; MAGNETOELECTRIC DEVICES;
FERROMAGNETIC-RESONANCE; BANDPASS FILTER
AB The increasing demand for realizing ultra-fast, compact, and ultra-low power electronics/spintronics has propelled the creation of novel multiferroic heterostructures which enable voltage control of magnetism in an energy efficient way. In this progress report, we present an overview of recent advances and future prospects of the most attractive oxide multiferroic heterostructures, with an emphasis on the development of strong magnetoelectric coupling effects and their device applications. In particular, we review the recent progress in spinel/ferroelectric and garnet/ferroelectric multiferroic oxide heterostructures.
C1 [Yang, X.] Beijing Inst Technol, Sch Informat & Elect, Ctr Microwave & Millimeter Wave Technol, Beijing 100081, Peoples R China.
[Zhou, Z.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA.
[Nan, T.; Gao, Y.; Sun, N. X.] Northeastern Univ, Dept Elect & Comp Engn, Boston, MA 02115 USA.
[Yang, G. M.] Fudan Univ, Dept Commun Sci & Engn, Key Lab Informat Sci Electromagnet Waves, Shanghai 200433, Peoples R China.
[Liu, M.; Sun, N. X.] Xi An Jiao Tong Univ, Minist Educ, Key Lab, Elect Mat Res Lab, Xian 710049, Peoples R China.
[Liu, M.] Xi An Jiao Tong Univ, Collaborat Innovat Ctr High End Mfg Equipment, Xian 710049, Peoples R China.
RP Liu, M (reprint author), Xi An Jiao Tong Univ, Minist Educ, Key Lab, Elect Mat Res Lab, Xian 710049, Peoples R China.
EM mingliu@mail.xjtu.edu.cn; nian@ece.neu.edu
RI Nan, Tianxiang/A-8020-2016; Gao, Yuan/E-4277-2016; Yang, Xi/E-6042-2016;
Sun, Nian Xiang/F-9590-2010; Liu, Ming/B-4143-2009
OI Gao, Yuan/0000-0002-2444-1180; Sun, Nian Xiang/0000-0002-3120-0094; Liu,
Ming/0000-0002-6310-948X
FU Natural Science Foundation of China [51472199, 11534015]; National 111
Project of China [B14040]; Beijing Institute of Technology Research Fund
Program for Young Scholars [3050012261527]; W. M. Keck Foundation and
National Science Foundation (NSF) [1160504, 1533484]; China Recruitment
Program for Young Professionals
FX This work was supported by the Natural Science Foundation of China
(Grant No. 51472199 and 11534015), the National 111 Project of China
(B14040), the Beijing Institute of Technology Research Fund Program for
Young Scholars (Grant No. 3050012261527), W. M. Keck Foundation and
National Science Foundation (NSF) awards 1160504 and 1533484. Dr Ming
Liu was supported by the China Recruitment Program for Young
Professionals.
NR 163
TC 12
Z9 12
U1 41
U2 157
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 2016
VL 4
IS 2
BP 234
EP 243
DI 10.1039/c5tc03008k
PG 10
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA CZ7BO
UT WOS:000367255100001
ER
PT J
AU Lin, MW
Zhuang, HLL
Yan, JQ
Ward, TZ
Puretzky, AA
Rouleau, CM
Gai, Z
Liang, LB
Meunier, V
Sumpter, BG
Ganesh, P
Kent, PRC
Geohegan, DB
Mandrus, DG
Xiao, K
AF Lin, Ming-Wei
Zhuang, Houlong L.
Yan, Jiaqiang
Ward, Thomas Zac
Puretzky, Alexander A.
Rouleau, Christopher M.
Gai, Zheng
Liang, Liangbo
Meunier, Vincent
Sumpter, Bobby G.
Ganesh, Panchapakesan
Kent, Paul R. C.
Geohegan, David B.
Mandrus, David G.
Xiao, Kai
TI Ultrathin nanosheets of CrSiTe3: a semiconducting two-dimensional
ferromagnetic material
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID CHROMIUM HEXATELLUROSILICATE CR2SI2TE6; METAL DICHALCOGENIDES;
MAGNETIC-PROPERTIES; CRYSTAL-STRUCTURE; MONOLAYER MOS2; TRANSITION;
PHASE; HETEROSTRUCTURES; GROWTH; FILMS
AB Finite range ferromagnetism and antiferromagnetism in two-dimensional (2D) systems within an isotropic Heisenberg model at non-zero temperature were originally proposed to be impossible. However, recent theoretical studies using an Ising model have shown that 2D magnetic crystals can exhibit magnetism. Experimental verification of existing 2D magnetic crystals in this system has remained exploratory. In this work we exfoliated CrSiTe3, a bulk ferromagnetic semiconductor, to mono- and few-layer 2D crystals onto a Si/SiO2 substrate. Raman spectra indicate good stability and high quality of the exfoliated flakes, consistent with the computed phonon spectra of 2D CrSiTe3, giving strong evidence for the existence of 2D CrSiTe3 crystals. When the thickness of the CrSiTe3 crystals is reduced to a few layers, we observed a clear change in resistivity at 80-120 K, consistent with theoretical calculations of the Curie temperature (T-c) of similar to 80 K for the magnetic ordering of 2D CrSiTe3 crystals. The ferromagnetic mono- and few-layer 2D CrSiTe3 indicated here should enable numerous applications in nano-spintronics.
C1 [Lin, Ming-Wei; Zhuang, Houlong L.; Puretzky, Alexander A.; Rouleau, Christopher M.; Gai, Zheng; Liang, Liangbo; Sumpter, Bobby G.; Ganesh, Panchapakesan; Kent, Paul R. C.; Geohegan, David B.; Xiao, Kai] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Yan, Jiaqiang; Mandrus, David G.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[Yan, Jiaqiang; Ward, Thomas Zac; Mandrus, David G.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Liang, Liangbo; Meunier, Vincent] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA.
[Sumpter, Bobby G.; Kent, Paul R. C.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA.
RP Xiao, K (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
EM xiaok@ornl.gov
RI Kent, Paul/A-6756-2008; Puretzky, Alexander/B-5567-2016; Gai,
Zheng/B-5327-2012; Ward, Thomas/I-6636-2016; Liang, Liangbo/H-4486-2011;
Rouleau, Christopher/Q-2737-2015; Geohegan, David/D-3599-2013
OI Kent, Paul/0000-0001-5539-4017; Puretzky, Alexander/0000-0002-9996-4429;
Gai, Zheng/0000-0002-6099-4559; Ward, Thomas/0000-0002-1027-9186; Liang,
Liangbo/0000-0003-1199-0049; Rouleau, Christopher/0000-0002-5488-3537;
Geohegan, David/0000-0003-0273-3139
FU Laboratory Directed Research and Development program (LDRD) project;
Scientific User Facilities Division, Office of Basic Energy Sciences,
U.S. Department of Energy; National Science Foundation [NSF DMR-1410428]
FX Device fabrication was supported by the Laboratory Directed Research and
Development program (LDRD) project and Raman measurements were conducted
at 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. DGM and JQY
acknowledge support from the National Science Foundation under Grant No.
NSF DMR-1410428. TZW acknowledge support from the US Department of
Energy (DOE), Office of Basic Energy Sciences (BES), Materials Sciences
and Engineering Division for PPMS measurements. HZ, PG, PRCK acknowledge
support from LDRD project for theoretical calculations. LL was supported
as a Eugene P. Wigner Fellow at Oak Ridge National Laboratory.
NR 49
TC 11
Z9 11
U1 45
U2 108
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 2016
VL 4
IS 2
BP 315
EP 322
DI 10.1039/c5tc03463a
PG 8
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA CZ7BO
UT WOS:000367255100011
ER
PT J
AU Kresin, V
AF Kresin, Vladimir
TI Introductory Remarks
SO JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM
LA English
DT Editorial Material
ID SUPERCONDUCTIVITY
C1 [Kresin, Vladimir] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94619 USA.
RP Kresin, V (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94619 USA.
EM vzkresin@lbl.gov
NR 6
TC 0
Z9 0
U1 2
U2 2
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1557-1939
EI 1557-1947
J9 J SUPERCOND NOV MAGN
JI J. Supercond. Nov. Magn
PD JAN
PY 2016
VL 29
IS 1
BP 1
EP 2
DI 10.1007/s10948-015-3280-6
PG 2
WC Physics, Applied; Physics, Condensed Matter
SC Physics
GA CZ7EB
UT WOS:000367261600001
ER
PT J
AU Dogan, F
Vaughey, JT
AF Dogan, Fulya
Vaughey, J. T.
TI Effect of Surface Termination on Electrochemical Performance of Silicon
Thin Films
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID LITHIUM-ION BATTERIES; NUCLEAR-MAGNETIC-RESONANCE; POROUS SILICON;
STRUCTURAL-CHANGES; ELECTRODES; SPECTROSCOPY; SOLVENT; LIQUID; ANODES;
BINDER
AB The surface termination layer of silicon-based lithium-ion anodes is a complex mixture of silicon oxides, hydroxides, and hydrides. The species present reflect the history of the electrode and combine to make each silicon electrode different in its electrochemical performance and reactivity with the electrolyte. This variability creates challenges for silicon-based anodes as it affects SEI formation and stability, columbic efficiency, and irreversible capacity. To elucidate some of the parameters that control surface functionality we used non-aqueous electrodeposition to produce silicon thin films on copper foams. These porous electrodes were studied using Si-29 MAS NMR to correlate the synthetic process and surface functionality with electrochemical performance. We found that the supporting electrolyte salt used has a significant effect on the electrodeposited silicon thin films electrochemical properties. Films deposited using tetrabutylammonium chloride (TBACl) were found to be more crystalline with much higher surface concentration of hydrides, hydroxides and oxides, have lower capacity, and much higher irreversible capacity than films deposited using tetraethylammonium chloride (TEACl). The role of supporting electrolyte salt is hypothesized to be related to the amount of free solvent in the reaction mixture as the TBACl salt has been reported to tie up significantly more solvent due its larger size. (C) The Author(s) 2015. Published by ECS.
C1 [Dogan, Fulya; Vaughey, J. T.] Argonne Natl Lab, Chem Sci & Engn Div, Electrochem Energy Storage Grp, Argonne, IL 60439 USA.
RP Dogan, F (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Electrochem Energy Storage Grp, Argonne, IL 60439 USA.
EM fdogan@anl.gov
OI Vaughey, John/0000-0002-2556-6129
FU Office of Vehicle Technologies (Batteries for Advanced Transportation
Technologies (BATT) Program) of U.S. Department of Energy
[DE-AC02-06CH11357]
FX Support to conduct this work came from the Office of Vehicle
Technologies (Batteries for Advanced Transportation Technologies (BATT)
Program) of the U.S. Department of Energy under Contract No.
DE-AC02-06CH11357 and is gratefully acknowledged.
NR 24
TC 1
Z9 1
U1 7
U2 43
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2016
VL 163
IS 2
BP A62
EP A66
DI 10.1149/2.0261602jes
PG 5
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CZ8BH
UT WOS:000367324400010
ER
PT J
AU Gallagher, KG
Trask, SE
Bauer, C
Woehrle, T
Lux, SF
Tschech, M
Lamp, P
Polzin, BJ
Ha, S
Long, B
Wu, QL
Lu, WQ
Dees, DW
Jansen, AN
AF Gallagher, Kevin G.
Trask, Stephen E.
Bauer, Christoph
Woehrle, Thomas
Lux, Simon F.
Tschech, Matthias
Lamp, Peter
Polzin, Bryant J.
Ha, Seungbum
Long, Brandon
Wu, Qingliu
Lu, Wenquan
Dees, Dennis W.
Jansen, Andrew N.
TI Optimizing Areal Capacities through Understanding the Limitations of
Lithium-Ion Electrodes
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID POSITIVE ELECTRODES; INSERTION CELL; BATTERIES; PERFORMANCE; PREDICTION;
OPTIMIZATION; CATHODES; VEHICLES
AB Increasing the areal capacity or electrode thickness in lithium ion batteries is one possible means to increase pack level energy density while simultaneously lowering cost. The physics that limit use of high areal capacity as a function of battery power to energy ratio are poorly understood and thus most currently produced automotive lithium ion cells utilize modest loadings to ensure long life over the vehicle battery operation. Here we show electrolyte transport limits the utilization of the positive electrode at critical C-rates during discharge; whereas, a combination of electrolyte transport and polarization lead to lithium plating in the graphite electrode during charge. Experimental measurements are compared with theoretical predictions based on concentrated solution and porous electrode theories. An analytical expression is derived to provide design criteria for long lived operation based on the physical properties of the electrode and electrolyte. Finally, a guideline is proposed that graphite cells should avoid charge current densities near or above 4 mA/cm(2) unless additional precautions have been made to avoid deleterious side reaction. (C) The Author(s) 2015. Published by ECS.
C1 [Gallagher, Kevin G.; Trask, Stephen E.; Polzin, Bryant J.; Ha, Seungbum; Long, Brandon; Wu, Qingliu; Lu, Wenquan; Dees, Dennis W.; Jansen, Andrew N.] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA.
[Bauer, Christoph; Woehrle, Thomas; Tschech, Matthias; Lamp, Peter] BMW Grp, Munich, Germany.
[Lux, Simon F.] BMW Grp Technol Off, Mountain View, CA 94043 USA.
RP Gallagher, KG (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA.
EM gallagher@anl.gov
RI Jansen, Andrew/Q-5912-2016
OI Jansen, Andrew/0000-0003-3244-7790
FU U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy, Vehicle Technologies Office; Argonne, a U.S. Department of
Energy Office of Science laboratory [DE-AC02-06CH11357]
FX Argonne authors gratefully acknowledge support from the Vehicle
Technologies Office, Hybrid and Electric Systems, David Howell (Team
Lead) and Peter Faguy, at the U.S. Department of Energy, Office of
Energy Efficiency and Renewable Energy. The Cell Analysis, Modeling, and
Prototyping (CAMP) Facility at Argonne National Laboratory is funded by
the U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy, Vehicle Technologies Office. The submitted manuscript has been
created by UChicago Argonne, LLC, Operator of Argonne National
Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of
Science laboratory, is operated under Contract No. DE-AC02-06CH11357.
NR 32
TC 7
Z9 8
U1 7
U2 35
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2016
VL 163
IS 2
BP A138
EP A149
DI 10.1149/2.0321602jes
PG 12
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CZ8BH
UT WOS:000367324400019
ER
PT J
AU Kercher, AK
Kolopus, JA
Carroll, KJ
Unocic, RR
Kirklin, S
Wolverton, C
Stooksbury, SL
Boatner, LA
Dudney, NJ
AF Kercher, A. K.
Kolopus, J. A.
Carroll, K. J.
Unocic, R. R.
Kirklin, S.
Wolverton, C.
Stooksbury, S. L.
Boatner, L. A.
Dudney, N. J.
TI Mixed Polyanion Glass Cathodes: Glass-State Conversion Reactions
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID ELECTRODE MATERIALS; METAL FLUORIDES; ION BATTERIES; LI BATTERIES;
LITHIUM; STORAGE
AB Mixed polyanion glasses can undergo glass-state conversion (GSC) reactions to provide an alternate class of high-capacity cathode materials. GSC reactions have been demonstrated in phosphate/vanadate glasses with Ag, Co, Cu, Fe, and Ni cations. These mixed polyanion glasses provided high capacity and good high power performance, but suffer from moderate voltages, large voltage hysteresis, and significant capacity fade with cycling. Details of the GSC reaction have been revealed by X-ray absorption spectroscopy, electron microscopy, and energy dispersive X-ray spectroscopy of ex situ cathodes at key states of charge. Using the Open Quantum Materials Database (OQMD), a computational thermodynamic model has been developed to predict the near-equilibrium voltages of glass-state conversion reactions in mixed polyanion glasses. (C) 2015 The Electrochemical Society.
C1 [Kercher, A. K.; Kolopus, J. A.; Stooksbury, S. L.; Boatner, L. A.; Dudney, N. J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
[Carroll, K. J.] Wildcat Discovery Technol, San Diego, CA 92121 USA.
[Unocic, R. R.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Kirklin, S.; Wolverton, C.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA.
RP Kercher, AK (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
EM kercherak@ornl.gov
RI Kercher, Andrew/K-1147-2016; Wolverton, Christopher/B-7542-2009; Dudney,
Nancy/I-6361-2016
OI Kercher, Andrew/0000-0003-1784-5686; Dudney, Nancy/0000-0001-7729-6178
FU Assistant Secretary for Energy Efficiency and Renewable Energy, Office
of Vehicle Technologies of the U.S. Department of Energy under Advanced
Battery Materials Research (BMR) Program [DE-AC02-05CH11231]; Center for
Electrochemical Energy Science (CEES), an Energy Frontier Research
Center (EFRC) - U.S. Department of Energy, Office of Science, Office of
Basic Energy Sciences [DE-AC02-06CH11357]; U.S. Department of Energy,
Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]
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 No. DE-AC02-05CH11231, under the
Advanced Battery Materials Research (BMR) Program. Microscopy was
conducted as part of a user proposal at ORNL's Center for Nanophase
Materials Sciences (CNMS), which is an Office of Science User Facility.
SK and CW (DFT Calculations) acknowledge support as part of the Center
for Electrochemical Energy Science (CEES), an Energy Frontier Research
Center (EFRC) funded by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences (Award No. DE-AC02-06CH11357).
Use of the National Synchrotron Light Source (NSLS), Brookhaven National
Laboratory, was supported by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, under Contract No.
DE-AC02-98CH10886. Special thanks to: Syed Khalid at NSLS and Frank
Delnick, Juchuan Li, Jagjit Nanda, Jim Kiggans, Nidia Gallego, Ashli
Clark, Michael Chance, Josh Pihl, and Claus Daniel at Oak Ridge National
Laboratory.
NR 17
TC 0
Z9 0
U1 5
U2 13
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2016
VL 163
IS 2
BP A131
EP A137
DI 10.1149/2.0381602jes
PG 7
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CZ8BH
UT WOS:000367324400018
ER
PT J
AU Li, YR
Marschilok, AC
Takeuchi, ES
Takeuchi, KJ
AF Li, Yue Ru
Marschilok, Amy C.
Takeuchi, Esther S.
Takeuchi, Kenneth J.
TI Synthesis of Copper Birnessite, CuxMnOy center dot nH(2)O with
Crystallite Size Control: Impact of Crystallite Size on Electrochemistry
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID RECHARGEABLE LI BATTERIES; SILVER HOLLANDITE; MANGANESE OXIDE;
HYDROTHERMAL SYNTHESIS; ELECTRODE MATERIAL; LITHIUM BATTERIES;
VANADIUM-OXIDE; NA-BIRNESSITE; MAGNESIUM; MNO2
AB This report describes the first detailed electrochemical examination of a series of copper birnessite samples under lithium-based battery conditions, allowing a structure/function analysis of the electrochemistry and related material properties. To obtain the series of copper birnessite samples, a novel synthetic approach for the preparation of copper birnessite, CuxMnOy center dot nH(2)O is reported. The copper content (x) in CuxMnOy center dot nH(2)O, 0.28 >= x >= 0.20, was inversely proportional to crystallite size, which ranged from 12 to 19 nm. The electrochemistry under lithium-based battery conditions showed that the higher copper content (x = 0.28) and small crystallite size (similar to 12 nm) sample delivered similar to 194 mAh/g, about 20% higher capacity than the low copper content (x = 0.22) and larger crystallite size (similar to 19 nm) material. In addition, CuxMnOy center dot nH(2)O displays quasi-reversible electrochemistry in magnesium based electrolytes, indicating that copper birnessite could be a candidate for future application in magnesium-ion batteries. (C) The Author(s) 2015. Published by ECS.
C1 [Li, Yue Ru; Marschilok, Amy C.; Takeuchi, Esther S.; Takeuchi, Kenneth J.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11790 USA.
[Marschilok, Amy C.; Takeuchi, Esther S.; Takeuchi, Kenneth J.] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11790 USA.
[Takeuchi, Esther S.] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Li, YR (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11790 USA.
EM amy.marschilok@stonybrook.edu; esther.takeuchi@stonybrook.edu;
kenneth.takeuchi.1@stonybrook.edu
FU Office of Basic Energy Sciences [DE-SC0008512]; Department of Energy;
Office of Electricity
FX The authors acknowledge support for the materials synthesis,
characterization, and lithium based electrochemical evaluation by the
Department of Energy, Office of Basic Energy Sciences, under grant
DE-SC0008512. Support for the magnesium based electrochemical evaluation
was provided by supported by the Department of Energy, Office of
Electricity, administered through Sandia National Laboratories, Purchase
Order #1275961. The authors also acknowledge Brookhaven National
Laboratory for the SmartLab X-ray Diffractometer.
NR 42
TC 3
Z9 3
U1 11
U2 44
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2016
VL 163
IS 2
BP A281
EP A285
DI 10.1149/2.0501602jes
PG 5
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CZ8BH
UT WOS:000367324400036
ER
PT J
AU Tan, JW
Tartakovsky, AM
Ferris, K
Ryan, EM
AF Tan, Jinwang
Tartakovsky, Alexandre M.
Ferris, Kim
Ryan, Emily M.
TI Investigating the Effects of Anisotropic Mass Transport on Dendrite
Growth in High Energy Density Lithium Batteries
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID SMOOTHED PARTICLE HYDRODYNAMICS; ELECTRODEPOSITION; LIQUID; ELECTROLYTE;
SIMULATIONS; CONDUCTION; CONVECTION; CARBONATE; HF
AB Dendrite formation on the electrode surface of high energy density lithium (Li) batteries causes safety problems and limits their applications. Suppressing dendrite growth could significantly improve Li battery performance. Dendrite growth and morphology is a function of the cation concentration gradient in the electrolyte near the anode interface. Most research into dendrites in batteries focuses on dendrite formation in isotropic electrolytes (i.e., electrolytes with an isotropic diffusion coefficient). In this work, an anisotropic diffusion reaction model is developed to study the anisotropic mass transport effect on dendrite growth in Li batteries. The model uses a Lagrangian particle-based method to model dendrite growth in an anisotropic electrolyte solution. The model is verified by comparing the numerical simulation results with analytical solutions, and its accuracy is shown to be better than previous particle-based anisotropic diffusion models. Several parametric studies of dendrite growth in an anisotropic electrolyte are performed and the results demonstrate the effects of anisotropic transport on dendrite growth and morphology, and show the possible advantages of anisotropic electrolytes for dendrite suppression. (C) 2015 The Electrochemical Society.
C1 [Tan, Jinwang; Ryan, Emily M.] Boston Univ, Dept Mech Engn, Boston, MA 02215 USA.
[Tartakovsky, Alexandre M.; Ferris, Kim] Pacific NW Natl Lab, Computat Sci & Math Div, Richland, WA 99352 USA.
RP Tan, JW (reprint author), Boston Univ, Dept Mech Engn, Boston, MA 02215 USA.
EM ryanem@bu.edu
FU Samsung Electronics Inc through their Global Research Outreach program;
Pacific Northwest National Laboratory (PNNL)'s Laboratory Directed
Research and Development Program; [DEAC05-76RL01830]
FX This research was support by Samsung Electronics Inc through their
Global Research Outreach program. A. Tartakovsky was supported by the
Pacific Northwest National Laboratory (PNNL)'s Laboratory Directed
Research and Development Program. Pacific Northwest National Laboratory
is operated by Battelle for the DOE under Contract DEAC05-76RL01830.
NR 33
TC 3
Z9 3
U1 8
U2 50
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2016
VL 163
IS 2
BP A318
EP A327
DI 10.1149/2.0951602jes
PG 10
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CZ8BH
UT WOS:000367324400041
ER
PT J
AU Tran, NL
Singh, AR
Cuk, T
AF Tran, Nhu L.
Singh, Aayush R.
Cuk, Tanja
TI Highly Reversible Transition Metal Deposition and Oxidation on Symmetric
RuO2 Electrodes for Battery Applications
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID DIFFUSION BARRIER; THIN-FILM; RUTHENIUM; COPPER; SUPERCAPACITORS; CU
AB Facile and reversible deposition of metal layers would enhance power and energy densities of hybrid batteries. Here, we investigate Cu2+/Cu-(0) deposition on a RuO2 anode and soluble Fe2+/Fe3+ oxidation on a symmetric RuO2 cathode in aqueous electrolyte. The process of Cu plating, in the same cell configuration, leads to significant and reversible discharge capacities on RuO2 electrodes, while traditional pure transition metal electrodes have negligible capacities and carbon electrodes have a fraction of it. The areal power delivery during discharge is nearly constant (70 mu W/cm(2)), whether charged for seconds or hours; a one hour charge leads to 1.9 C/cm(2) areal capacity and 85 Wh/kg. Despite exhibiting self-discharge, the cell has 40% energy efficiency if discharged right after charging. The same electrochemical process can be used in flow-cell architectures where flowing the electrolyte mitigates self-discharge and also higher areal power deliveries can be achieved. (C) 2015 The Electrochemical Society.
C1 [Tran, Nhu L.; Singh, Aayush R.; Cuk, Tanja] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Tran, Nhu L.] Princeton Univ, Dept Chem, Princeton, NJ 08544 USA.
[Singh, Aayush R.] Stanford Univ, Dept Chem Engn, Stanford, CA 94305 USA.
[Cuk, Tanja] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Tran, NL (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM tanjacuk@berkeley.edu
FU Bakar Fellowship
FX We acknowledge funding support from the Bakar Fellowship. We also thank
Kevin Pollock for helping to deposit the RuO2 films.
NR 15
TC 0
Z9 0
U1 4
U2 9
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2016
VL 163
IS 2
BP A286
EP A289
DI 10.1149/2.0621602jes
PG 4
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CZ8BH
UT WOS:000367324400037
ER
PT J
AU Garzon, FH
Wilson, MS
Banham, D
Ye, SY
More, KL
AF Garzon, Fernando H.
Wilson, Mahlon S.
Banham, Dustin
Ye, Siyu
More, Karren L.
TI Carbonaceous Nanowire Supports for Polymer Electrolyte Membrane Fuel
Cells
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID POLYPYRROLE NANOWIRES; HYDROGEN STORAGE; NANOFIBERS; PERFORMANCE;
NANOTUBES; CARBONS; SUPERCAPACITORS; NANOPARTICLES; PYROLYSIS; ROUTE
AB Carbohydrate-dye combinations were used to form ionically-linked soft templates for the formation of polypyrrole nanowire networks. High yields of nanostructured products were obtained using small amounts of low-cost carbohydrate and dye template materials, the majority of which remained encapsulated within the nanowires. Varying the concentration and the two-part ratio of the templates influenced the length and diameter of the nanofiber segments within the nanowire network. Pyrolysis of the nanowires yielded carbonaceous fibers containing nitrogen heteroatoms, as well as convoluted graphitic domains, well suited for supporting Pt nanoparticles. The resulting high density of nucleation sites enabled the formation of well dispersed, smaller Pt particles compared to commercial catalysts, despite significantly higher support surface loadings. (C) The Author(s) 2015. Published by ECS.
C1 [Garzon, Fernando H.] Univ New Mexico, Dept Chem & Biol Engn, Albuquerque, NM 87131 USA.
[Wilson, Mahlon S.] Los Alamos Natl Lab, Mat Synth & Integrated Devices Grp, Los Alamos, NM 87545 USA.
[Banham, Dustin; Ye, Siyu] Ballard Power Syst, Burnaby, BC V5J 5J8, Canada.
[More, Karren L.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Garzon, FH (reprint author), Univ New Mexico, Dept Chem & Biol Engn, Albuquerque, NM 87131 USA.
EM garzon@unm.edu
OI Wilson, Mahlon/0000-0002-5944-2650
FU U.S. DOE-EERE, Fuel Cell Technologies Office
FX Funding from the U.S. DOE-EERE, Fuel Cell Technologies Office, is
gratefully acknowledged. Microscopy was conducted as part of a user
proposal at ORNL's Center for Nanophase Materials Sciences, a U.S. DOE
Office of Science User Facility.
NR 32
TC 0
Z9 0
U1 4
U2 15
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2016
VL 163
IS 2
BP F115
EP F121
DI 10.1149/2.0741602jes
PG 7
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CZ8BH
UT WOS:000367324400072
ER
PT J
AU Lichterman, MF
Richter, MH
Hu, S
Crumlin, EJ
Axnanda, S
Favaro, M
Drisdell, W
Hussain, Z
Brunschwig, BS
Lewis, NS
Liu, Z
Lewerenz, HJ
AF Lichterman, Michael F.
Richter, Matthias H.
Hu, Shu
Crumlin, Ethan J.
Axnanda, Stephanus
Favaro, Marco
Drisdell, Walter
Hussain, Zahid
Brunschwig, Bruce S.
Lewis, Nathan S.
Liu, Zhi
Lewerenz, Hans-Joachim
TI An Electrochemical, Microtopographical and Ambient Pressure X-Ray
Photoelectron Spectroscopic Investigation of Si/TiO2/Ni/Electrolyte
Interfaces
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID LAYER DEPOSITED TIO2; WATER OXIDATION; ELECTROLYTIC HYDROGENATION;
SILICON; PHOTOANODES; EVOLUTION; SURFACES; FILMS; SI
AB The electrical and spectroscopic properties of the TiO2/Ni protection layer system, which enables stabilization of otherwise corroding photoanodes, have been investigated in contact with electrolyte solutions by scanning-probe microscopy, electrochemistry and in-situ ambient pressure X-ray photoelectron spectroscopy (AP-XPS). Specifically, the energy-band relations of the p(+)-Si/ALD-TiO2/Ni interface have been determined for a selected range of Ni thicknesses. AP-XPS measurements using tender X-rays were performed in a three-electrode electrochemical arrangement under potentiostatic control to obtain information from the semiconductor near-surface region, the electrochemical double layer (ECDL) and the electrolyte beyond the ECDL. The degree of conductivity depended on the chemical state of the Ni on the TiO2 surface. At low loadings of Ni, the Ni was present primarily as an oxide layer and the samples were not conductive, although the TiO2 XPS core levels nonetheless displayed behavior indicative of a metal-electrolyte junction. In contrast, as the Ni thickness increased, the Ni phase was primarily metallic and the electrochemical behavior became highly conductive, with the AP-XPS data indicative of a metal-electrolyte junction. Electrochemical and microtopographical methods have been employed to better define the nature of the TiO2/Ni electrodes and to contextualize the AP-XPS results. (C) The Author(s) 2015. Published by ECS.
C1 [Lichterman, Michael F.; Richter, Matthias H.; Hu, Shu; Lewis, Nathan S.] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA.
[Lichterman, Michael F.; Richter, Matthias H.; Hu, Shu; Brunschwig, Bruce S.; Lewis, Nathan S.; Lewerenz, Hans-Joachim] CALTECH, Joint Ctr Artificial Photosynth, Pasadena, CA 91125 USA.
[Crumlin, Ethan J.; Axnanda, Stephanus; Favaro, Marco; Drisdell, Walter; Hussain, Zahid; Liu, Zhi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Favaro, Marco; Drisdell, Walter] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Favaro, Marco] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
[Brunschwig, Bruce S.; Lewis, Nathan S.] CALTECH, Beckman Inst, Pasadena, CA 91125 USA.
[Lewis, Nathan S.] CALTECH, Kavli Nanosci Inst, Pasadena, CA 91125 USA.
[Liu, Zhi] Chinese Acad Sci, Shanghai Inst Microsyst & Informat Technol, State Key Lab Funct Mat Informat, Shanghai 200050, Peoples R China.
[Liu, Zhi] ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 200031, Peoples R China.
RP Lichterman, MF (reprint author), CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA.
EM lewerenz@caltech.edu
RI Liu, Zhi/B-3642-2009
OI Liu, Zhi/0000-0002-8973-6561
FU Office of Science of the U.S. Department of Energy (DOE) [DE SC0004993];
Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy [DE AC02 05CH11231]
FX This work was supported through the Office of Science of the U.S.
Department of Energy (DOE) under award no. DE SC0004993 to the Joint
Center for Artificial Photosynthesis, a DOE Energy Innovation Hub. 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. We thank Dr. Philip Ross for
contributions to the conceptual development of the AP-XPS end station
and experimental design.
NR 23
TC 3
Z9 3
U1 10
U2 43
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2016
VL 163
IS 2
BP H139
EP H146
DI 10.1149/2.0861602jes
PG 8
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CZ8BH
UT WOS:000367324400099
ER
PT J
AU Zhou, SH
Huo, Y
Napolitano, RE
AF Zhou, S. H.
Huo, Y.
Napolitano, Ralph E.
TI Phase Stability for the Pd-Si System: First-Principles, Experiments, and
Solution-Based Modeling
SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND
MATERIALS SCIENCE
LA English
DT Article
ID PALLADIUM-SILICON SYSTEM; AUGMENTED-WAVE METHOD; AT-PERCENT-SI;
BINARY-SYSTEM; PARTITIONLESS CRYSTALLIZATION; CONCENTRATION RANGE;
METASTABLE PHASES; METALLIC-GLASS; PT-SI; SILICIDES
AB The relative stabilities of the compounds in the binary Pd-Si system were assessed using first-principles calculations and experimental methods. Calculations of lattice parameters and enthalpy of formation indicate that , , , , and are the stable phases at 0 K (-273 A degrees C). X-ray diffraction analyses (XRD) and electron probe microanalysis (EPMA) of the as-solidified and heat-treated samples support the computational findings, except that the phase was not observed at low temperature. Considering both experimental data and first-principles results, the compounds , , , and are treated as stable phases down to 0 K (-273 A degrees C), while the is treated as being stable over a limited range, exhibiting a lower bound. Using these findings, a comprehensive solution-based thermodynamic model is formulated for the Pd-Si system, permitting phase diagram calculation. The liquid phase is described using a three-species association model and other phases are treated as solid solutions, where a random substitutional model is adopted for Pd-fcc and Si-dia, and a two-sublattice model is employed for , , , , and . Model parameters are fitted using available experimental data and first-principles data, and the resulting phase diagram is reported over the full range of compositions.
C1 [Zhou, S. H.] US DOE, Ames Lab, Div Mat & Engn, Ames, IA 50011 USA.
[Huo, Y.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA USA.
[Napolitano, Ralph E.] Ames Lab, Div Mat & Engn, Ames, IA USA.
[Napolitano, Ralph E.] Iowa State Univ, Dept Mat Sci & Engn, Iowa City, IA USA.
RP Zhou, SH (reprint author), US DOE, Ames Lab, Div Mat & Engn, Ames, IA 50011 USA.
EM ren1@iastate.edu; ralphn@iastate.edu
FU U.S. Department of Energy (DOE), Office of Science, Basic Energy
Sciences, Materials Science and Engineering Division; U.S. DOE
[DE-AC02-07CH11358]
FX This work was supported by the U.S. Department of Energy (DOE), Office
of Science, Basic Energy Sciences, Materials Science and Engineering
Division. The research was performed at the Ames Laboratory, which is
operated for the U.S. DOE by Iowa State University under contract No.
DE-AC02-07CH11358.
NR 42
TC 1
Z9 1
U1 11
U2 17
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 2016
VL 47A
IS 1
BP 194
EP 208
DI 10.1007/s11661-015-3206-8
PG 15
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA DA0DY
UT WOS:000367468100021
ER
PT J
AU Chang, JH
Wang, YY
Shao, LJ
Laberge, RM
Demaria, M
Campisi, J
Janakiraman, K
Sharpless, NE
Ding, S
Feng, W
Luo, Y
Wang, XY
Aykin-Burns, N
Krager, K
Ponnappan, U
Hauer-Jensen, M
Meng, AM
Zhou, DH
AF Chang, Jianhui
Wang, Yingying
Shao, Lijian
Laberge, Remi-Martin
Demaria, Marco
Campisi, Judith
Janakiraman, Krishnamurthy
Sharpless, Norman E.
Ding, Sheng
Feng, Wei
Luo, Yi
Wang, Xiaoyan
Aykin-Burns, Nukhet
Krager, Kimberly
Ponnappan, Usha
Hauer-Jensen, Martin
Meng, Aimin
Zhou, Daohong
TI Clearance of senescent cells by ABT263 rejuvenates aged hematopoietic
stem cells in mice
SO NATURE MEDICINE
LA English
DT Article
ID IONIZING-RADIATION; IN-VIVO; CELLULAR SENESCENCE; SECRETORY PHENOTYPE;
INHIBITOR; P16(INK4A); POTENT; EXPRESSION; FAMILY; INJURY
AB Senescent cells (SCs) accumulate with age and after genotoxic stress, such as total-body irradiation (TBI)(1-6). Clearance of SCs in a progeroid mouse model using a transgenic approach delays several age-associated disorders(7), suggesting that SCs play a causative role in certain age-related pathologies. Thus, a 'senolytic' pharmacological agent that can selectively kill SCs holds promise for rejuvenating tissue stem cells and extending health span. To test this idea, we screened a collection of compounds and identified ABT263 (a specific inhibitor of the anti-apoptotic proteins BCL-2 and BCL-xL) as a potent senolytic drug. We show that ABT263 selectively kills SCs in culture in a cell type-and species-independent manner by inducing apoptosis. Oral administration of ABT263 to either sublethally irradiated or normally aged mice effectively depleted SCs, including senescent bone marrow hematopoietic stem cells (HSCs) and senescent muscle stem cells (MuSCs). Notably, this depletion mitigated TBI-induced premature aging of the hematopoietic system and rejuvenated the aged HSCs and MuSCs in normally aged mice. Our results demonstrate that selective clearance of SCs by a pharmacological agent is beneficial in part through its rejuvenation of aged tissue stem cells. Thus, senolytic drugs may represent a new class of radiation mitigators and anti-aging agents.
C1 [Chang, Jianhui; Wang, Yingying; Shao, Lijian; Feng, Wei; Luo, Yi; Wang, Xiaoyan; Aykin-Burns, Nukhet; Krager, Kimberly; Hauer-Jensen, Martin; Zhou, Daohong] Univ Arkansas Med Sci, Dept Pharmaceut Sci, Little Rock, AR 72205 USA.
[Chang, Jianhui; Wang, Yingying; Shao, Lijian; Feng, Wei; Luo, Yi; Wang, Xiaoyan; Aykin-Burns, Nukhet; Krager, Kimberly; Hauer-Jensen, Martin; Zhou, Daohong] Univ Arkansas Med Sci, Winthrop P Rockefeller Canc Inst, Little Rock, AR 72205 USA.
[Wang, Yingying; Meng, Aimin] Chinese Acad Med Sci, Peking Union Med Coll, Inst Radiat Med, Tianjin, Peoples R China.
[Laberge, Remi-Martin; Demaria, Marco; Campisi, Judith] Buck Inst Res Aging, Novato, CA USA.
[Campisi, Judith] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Janakiraman, Krishnamurthy; Sharpless, Norman E.] Univ N Carolina, Dept Med & Genet, Chapel Hill, NC USA.
[Ding, Sheng] Gladstone Inst Cardiovasc Dis, San Francisco, CA USA.
[Ponnappan, Usha] Univ Arkansas Med Sci, Dept Microbiol & Immunol, Little Rock, AR 72205 USA.
RP Zhou, DH (reprint author), Univ Arkansas Med Sci, Dept Pharmaceut Sci, Little Rock, AR 72205 USA.
EM dzhou@uams.edu
OI Demaria, Marco/0000-0002-8429-4813
FU US National Institutes of Health (NIH) [R01 CA122023, R01 AI080421, P20
GM109005, R37 AG009909]; Edward P. Evans Foundation; National Natural
Science Foundation of China [81129020]; China National Program on Key
Basic Research Project [2011CB964800-G]; Arkansas Research Alliance
Scholarship from the Arkansas Science & Technology Authority
FX We thank G. van Zant (University of Kentucky) for FBMD-1 stromal cells.
This study was supported by the US National Institutes of Health (NIH)
grants R01 CA122023 (D.Z.), R01 AI080421 (D.Z.), P20 GM109005 (M.H.-J.
and D.Z.) and R37 AG009909 (J. Campisi); a grant from the Edward P.
Evans Foundation (D.Z. and M.H.-J.); National Natural Science Foundation
of China grant no. 81129020 (D.Z.); China National Program on Key Basic
Research Project 2011CB964800-G (A.M.); and an Arkansas Research
Alliance Scholarship from the Arkansas Science & Technology Authority
(D.Z.).
NR 44
TC 60
Z9 61
U1 11
U2 27
PU NATURE PUBLISHING GROUP
PI NEW YORK
PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA
SN 1078-8956
EI 1546-170X
J9 NAT MED
JI Nat. Med.
PD JAN
PY 2016
VL 22
IS 1
BP 78
EP +
DI 10.1038/nm.4010
PG 9
WC Biochemistry & Molecular Biology; Cell Biology; Medicine, Research &
Experimental
SC Biochemistry & Molecular Biology; Cell Biology; Research & Experimental
Medicine
GA DA1YA
UT WOS:000367590700018
PM 26657143
ER
PT J
AU Nogales, E
AF Nogales, Eva
TI The development of cryo-EM into a mainstream structural biology
technique
SO NATURE METHODS
LA English
DT Article
ID ELECTRON CRYOMICROSCOPY; CRYOELECTRON MICROSCOPY; 3-DIMENSIONAL
RECONSTRUCTION; RESOLUTION; COMPLEX; VISUALIZATION; REFINEMENT; CHANNEL;
PROTEIN; VIRUS
AB Single-particle cryo-electron microscopy (cryo-EM) has emerged over the last two decades as a technique capable of studying challenging systems that otherwise defy structural characterization. Recent technical advances have resulted in a 'quantum leap' in applicability, throughput and achievable resolution that has gained this technique worldwide attention. Here I discuss some of the major historical landmarks in the development of the cryo-EM field, ultimately leading to its present success.
C1 [Nogales, Eva] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA.
[Nogales, Eva] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA.
[Nogales, Eva] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Biophys & Integrat Bioimaging Div, Berkeley, CA 94720 USA.
RP Nogales, E (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA.
EM enogales@lbl.gov
FU US National Institute of General Medical Sciences
FX I would like to thank R. Glaeser for his feedback while writing this
commentary. The author is supported by grants from the US National
Institute of General Medical Sciences and is a Howard Hughes Medical
Institute Investigator.
NR 40
TC 25
Z9 26
U1 10
U2 36
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1548-7091
EI 1548-7105
J9 NAT METHODS
JI Nat. Methods
PD JAN
PY 2016
VL 13
IS 1
BP 24
EP 27
DI 10.1038/nmeth.3694
PG 4
WC Biochemical Research Methods
SC Biochemistry & Molecular Biology
GA DA0CF
UT WOS:000367463600014
PM 27110629
ER
PT J
AU Glaeser, RM
AF Glaeser, Robert M.
TI How good can cryo-EM become?
SO NATURE METHODS
LA English
DT Article
ID PARTICLE ELECTRON CRYOMICROSCOPY; CRYOELECTRON MICROSCOPY;
HIGH-RESOLUTION; EWALD SPHERE; PHASE-CONTRAST; RECONSTRUCTIONS;
LIMITATIONS; FUTURE; NOISE
AB The suddenness with which single-particle cryo-electron microscopy (cryo-EM) has emerged as a method for determining high-resolution structures of biological macromolecules invites the questions, how much better can this technology get, and how fast is that likely to happen? Though we can rightly celebrate the maturation of cryo-EM as a high-resolution structure-determination tool, I believe there still are many developments to look forward to.
C1 [Glaeser, Robert M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Glaeser, RM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM rmglaeser@lbl.gov
FU US National Institutes of Health [GM083039]
FX The writing of this commentary has been supported in part by US National
Institutes of Health grant GM083039. I want to especially thank R. Danev
for providing the pair of images used to prepare Figure 1.
NR 39
TC 12
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U1 9
U2 32
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1548-7091
EI 1548-7105
J9 NAT METHODS
JI Nat. Methods
PD JAN
PY 2016
VL 13
IS 1
BP 28
EP 32
DI 10.1038/nmeth.3695
PG 5
WC Biochemical Research Methods
SC Biochemistry & Molecular Biology
GA DA0CF
UT WOS:000367463600015
PM 26716559
ER
PT J
AU Sierra, RG
Gati, C
Laksmono, H
Dao, EH
Gul, S
Fuller, F
Kern, J
Chatterjee, R
Ibrahim, M
Brewster, AS
Young, ID
Michels-Clark, T
Aquila, A
Liang, M
Hunter, MS
Koglin, JE
Boutet, S
Junco, EA
Hayes, B
Bogan, MJ
Hampton, CY
Puglisi, EV
Sauter, NK
Stan, CA
Zouni, A
Yano, J
Yachandra, VK
Soltis, SM
Puglisi, JD
DeMirci, H
AF Sierra, Raymond G.
Gati, Cornelius
Laksmono, Hartawan
Dao, E. Han
Gul, Sheraz
Fuller, Franklin
Kern, Jan
Chatterjee, Ruchira
Ibrahim, Mohamed
Brewster, Aaron S.
Young, Iris D.
Michels-Clark, Tara
Aquila, Andrew
Liang, Mengning
Hunter, Mark S.
Koglin, Jason E.
Boutet, Sebastien
Junco, Elia A.
Hayes, Brandon
Bogan, Michael J.
Hampton, Christina Y.
Puglisi, Elisabetta V.
Sauter, Nicholas K.
Stan, Claudiu A.
Zouni, Athina
Yano, Junko
Yachandra, Vittal K.
Soltis, S. Michael
Puglisi, Joseph D.
DeMirci, Hasan
TI Concentric-flow electrokinetic injector enables serial crystallography
of ribosome and photosystem II
SO NATURE METHODS
LA English
DT Article
ID X-RAY-DIFFRACTION; FREE-ELECTRON LASER; FEMTOSECOND CRYSTALLOGRAPHY;
PROTEIN NANOCRYSTALLOGRAPHY; ROOM-TEMPERATURE; DATA QUALITY; RESOLUTION;
SUBUNIT; MICROCRYSTALS; SPECTROSCOPY
AB We describe a concentric-flow electrokinetic injector for efficiently delivering microcrystals for serial femtosecond X-ray crystallography analysis that enables studies of challenging biological systems in their unadulterated mother liquor. We used the injector to analyze microcrystals of Geobacillus stearothermophilus thermolysin (2.2-angstrom structure), Thermosynechococcus elongatus photosystem II (< 3-angstrom diffraction) and Thermus thermophilus small ribosomal subunit bound to the antibiotic paromomycin at ambient temperature (3.4-angstrom structure).
C1 [Sierra, Raymond G.; Laksmono, Hartawan; Dao, E. Han; Bogan, Michael J.; Hampton, Christina Y.; Stan, Claudiu A.; DeMirci, Hasan] SLAC Natl Accelerator Lab, Stanford PULSE Inst, Menlo Pk, CA 94025 USA.
[Gati, Cornelius] Deutsch Elekt Synchrotron, Ctr Free Electron Laser Sci, Hamburg, Germany.
[Gul, Sheraz; Fuller, Franklin; Kern, Jan; Chatterjee, Ruchira; Brewster, Aaron S.; Young, Iris D.; Michels-Clark, Tara; Sauter, Nicholas K.; Yano, Junko; Yachandra, Vittal K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Kern, Jan; Aquila, Andrew; Liang, Mengning; Hunter, Mark S.; Koglin, Jason E.; Boutet, Sebastien; Junco, Elia A.; Hayes, Brandon] SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA USA.
[Ibrahim, Mohamed; Zouni, Athina] Humboldt Univ, Inst Biol, D-10099 Berlin, Germany.
[Puglisi, Elisabetta V.; Puglisi, Joseph D.] Stanford Univ, Sch Med, Dept Biol Struct, Stanford, CA 94305 USA.
[Soltis, S. Michael; DeMirci, Hasan] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA USA.
RP DeMirci, H (reprint author), SLAC Natl Accelerator Lab, Stanford PULSE Inst, Menlo Pk, CA 94025 USA.
EM rsierra@stanford.edu; hasan_demirci@stanford.edu
RI Sauter, Nicholas/K-3430-2012
FU US Department of Energy (DOE), Office of Science, Office of Basic Energy
Sciences (OBES) [DE-AC02-76SF00515]; Office of Science, DOE
[DE-AC02-05CH11231]; US National Institutes of Health (NIH)
[P41GM103393, P41RR001209]; Office of Science, OBES, Chemical Sciences,
Geosciences, and Biosciences (CSGB) of the DOE [DE-AC02-05CH11231]; OBES
through the AMOS program within the CSGB; DOE through the SLAC
Laboratory Directed Research and Development Program; LBNL Laboratory
Directed Research and Development [DE-AC02-05CH11231]; Stanford
University Dean of Research; Stanford ChEM-H; SLAC National Accelerator
Laboratory; NIH [GM51266, GM082545, GM055302, GM110501, GM095887,
GM102520]; DFG-Cluster of Excellence [Sfb1078]; Human Frontiers Science
Project [RGP0005/2011, RGP0063/2013 310]; Helmholtz Association
FX Portions of this research were carried out at the LCLS at the SLAC
National Accelerator Laboratory. The LCLS is supported by the US
Department of Energy (DOE), Office of Science, Office of Basic Energy
Sciences (OBES), under contract DE-AC02-76SF00515. 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,
DOE, under contract DE-AC02-05CH11231. Part of the sample-injector
mechanical system used at LCLS for this research was funded by the US
National Institutes of Health (NIH) (P41GM103393, formerly P41RR001209).
J.Y. and V.K.Y. are supported by the Office of Science, OBES, Chemical
Sciences, Geosciences, and Biosciences (CSGB) of the DOE under contract
DE-AC02-05CH11231 for X-ray methodology and instrumentation. The LCLS is
acknowledged for beam time access under experiments cxig7014, cxib6714
and cxig3614. E.H.D., H.L., R.G.S., M.J.B., C.Y.H., C.A.S. and H.D.
acknowledge the support of the OBES through the AMOS program within the
CSGB and of the DOE through the SLAC Laboratory Directed Research and
Development Program. N.K.S. acknowledges an LBNL Laboratory Directed
Research and Development award under contract DE-AC02-05CH11231. E.H.D.
acknowledges financial support from the Stanford University Dean of
Research. H.D., S.M.S. and J.D.P. acknowledge support from the joint
Stanford ChEM-H and SLAC National Accelerator Laboratory seed grant
program. This work is supported by NIH grants GM51266 (to J.D.P.),
GM082545 (to E.V.P.), GM055302 (to V.K.Y.), GM110501 (to J.Y.), GM095887
and GM102520 (to N.K.S.); the DFG-Cluster of Excellence "UniCat"
coordinated by the Technische Universitaet at Berlin and Sfb1078, TP A5
(to A.Z. and M.I.); and Human Frontiers Science Project awards
RGP0005/2011 (to H.L.) and RGP0063/2013 310 (to J.Y. and A.Z.). C.G.
kindly thanks the PIER Helmholtz Graduate School, as well as the
Helmholtz Association for financial support. H.D. acknowledges valuable
discussions with A. Takeuchi, K. Dursuncan and E. Satunaz. We thank M.
West for support in designing and machining the injector load lock setup
and G. Stewart for excellent technical assistance with creating the
graphics for Figure 1.
NR 41
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PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1548-7091
EI 1548-7105
J9 NAT METHODS
JI Nat. Methods
PD JAN
PY 2016
VL 13
IS 1
BP 59
EP +
DI 10.1038/NMETH.3667
PG 8
WC Biochemical Research Methods
SC Biochemistry & Molecular Biology
GA DA0CF
UT WOS:000367463600028
PM 26619013
ER
PT J
AU Wang, TC
Vermeulen, NA
Kim, IS
Martinson, ABF
Stoddart, JF
Hupp, JT
Farha, OK
AF Wang, Timothy C.
Vermeulen, Nicolaas A.
Kim, In Soo
Martinson, Alex B. F.
Stoddart, J. Fraser
Hupp, Joseph T.
Farha, Omar K.
TI Scalable synthesis and post-modification of a mesoporous metal-organic
framework called NU-1000
SO NATURE PROTOCOLS
LA English
DT Article
ID ASSISTED LIGAND INCORPORATION; FUNCTIONALIZATION; DEPOSITION;
ACTIVATION; PLATFORM; STORAGE
AB The synthesis of NUNU-1000, a highly robust mesoporous (containing pores >2 nm) metal-organic framework (MOF), can be conducted efficiently on a multigram scale from inexpensive starting materials. Tetrabromopyrene and (4-(ethoxycarbonyl) phenyl) boronic acid can easily be coupled to prepare the requisite organic strut with four metal-binding sites in the form of four carboxylic acids, while zirconyl chloride octahydrate is used as a precursor for the well-defined metal oxide clusters. NUNU-1000 has been reported as an excellent candidate for the separation of gases, and it is a versatile scaffold for heterogeneous catalysis. In particular, it is ideal for the catalytic deactivation of nerve agents, and it shows great promise as a new generic platform for a wide range of applications. Multiple post-synthetic modification protocols have been developed using NUNU-1000 as the parent material, making it a potentially useful scaffold for several catalytic applications. The procedure for the preparation of NUNU-1000 can be scaled up reliably, and it is suitable for the production of 50 g of the tetracarboxylic acid containing organic linker and 200 mg-2.5 g of NUNU-1000. The entire synthesis is performed without purification by column chromatography and can be completed within 10 d.
C1 [Wang, Timothy C.; Vermeulen, Nicolaas A.; Stoddart, J. Fraser; Hupp, Joseph T.; Farha, Omar K.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.
[Kim, In Soo; Martinson, Alex B. F.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Farha, Omar K.] King Abdulaziz Univ, Fac Sci, Dept Chem, Jeddah, Saudi Arabia.
RP Farha, OK (reprint author), Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.
EM o-farha@northwestern.edu
RI Vermeulen, Nicolaas/B-5622-2016; Faculty of, Sciences, KAU/E-7305-2017
OI Vermeulen, Nicolaas/0000-0003-1825-4474;
FU Inorganometallic Catalyst Design Center, an Energy Frontier Research
Center - US Department of Energy, Office of Science, Basic Energy
Sciences [DESC0012702]; Joint Center of Excellence in Integrated
Nano-Systems (JCIN) at King Abdulaziz City for Science and Technology
(KACST) [34-944]; Northwestern University (NU); KACST; NU
FX This work (MOF assembly, experimental characterization and AIM) was
supported as part of the Inorganometallic Catalyst Design Center, an
Energy Frontier Research Center, funded by the US Department of Energy,
Office of Science, Basic Energy Sciences, under Award no. DESC0012702
(to O.K.F., A.B.F.M. and J.T.H.). This research is part (project 34-944)
of the Joint Center of Excellence in Integrated Nano-Systems (JCIN) at
King Abdulaziz City for Science and Technology (KACST) and Northwestern
University (NU; to J.F.S.). The authors thank both KACST and NU for
their continued support of this research.
NR 28
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U2 101
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1754-2189
EI 1750-2799
J9 NAT PROTOC
JI Nat. Protoc.
PD JAN
PY 2016
VL 11
IS 1
BP 149
EP 162
DI 10.1038/nprot.2016.001
PG 14
WC Biochemical Research Methods
SC Biochemistry & Molecular Biology
GA DA0BQ
UT WOS:000367462100010
PM 26678084
ER
PT J
AU Haykin, S
Wright, S
Bengio, Y
AF Haykin, Simon
Wright, Stephen
Bengio, Yoshua
TI Big Data: Theoretical Aspects
SO PROCEEDINGS OF THE IEEE
LA English
DT Editorial Material
C1 [Haykin, Simon] McMaster Univ, Fac Engn, Hamilton, ON, Canada.
[Haykin, Simon] Royal Soc Canada, Ottawa, ON, Canada.
[Wright, Stephen] Univ Wisconsin, Comp Sci, Madison, WI USA.
[Wright, Stephen] Argonne Natl Lab, Argonne, IL 60439 USA.
[Wright, Stephen] Univ Chicago, Comp Sci, Chicago, IL 60637 USA.
[Wright, Stephen] Math Optimizat Soc, Philadelphia, PA USA.
[Wright, Stephen] Soc Ind & Appl Math, Philadelphia, PA USA.
[Bengio, Yoshua] MIT, Cambridge, MA 02139 USA.
[Bengio, Yoshua] Univ Montreal, Dept Comp Sci & Operat Res, Montreal, PQ, Canada.
[Bengio, Yoshua] Canadian Inst Adv Res, Toronto, ON, Canada.
[Bengio, Yoshua] NIPS Fdn, San Diego, CA USA.
RP Haykin, S (reprint author), McMaster Univ, Fac Engn, Hamilton, ON, Canada.
NR 0
TC 0
Z9 0
U1 7
U2 20
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0018-9219
EI 1558-2256
J9 P IEEE
JI Proc. IEEE
PD JAN
PY 2016
VL 104
IS 1
SI SI
BP 8
EP 10
DI 10.1109/JPROC.2015.2507658
PG 3
WC Engineering, Electrical & Electronic
SC Engineering
GA CZ6ZS
UT WOS:000367250300002
ER
PT J
AU Kim, N
Rousseau, A
AF Kim, Namwook
Rousseau, Aymeric
TI Thermal impact on the control and the efficiency of the 2010 Toyota
Prius hybrid electric vehicle
SO PROCEEDINGS OF THE INSTITUTION OF MECHANICAL ENGINEERS PART D-JOURNAL OF
AUTOMOBILE ENGINEERING
LA English
DT Article
DE Hybrid electric vehicle; Prius; fuel economy; vehicle-level control;
thermal impact
AB Since introduction of the Prius to the Japanese automotive market in 1997, Toyota has sold more than 1 million of these hybrid electric vehicles in the USA and 3 million in the worldwide market up to 2013. The market penetration of the vehicle has been successful because it provides outstanding fuel economy. However, the reduction in the vehicle's efficiency under severe weather conditions, especially when the weather is very cold, has not been carefully investigated. The engine's fuel efficiency decreases when the engine is cooled during use in the electric drive mode, or the battery's efficiency is also degraded under cold weather conditions. Whereas the impacts of the thermal conditions on the fuel economies of vehicles are being increasingly emphasized, an analysis of these impacts has not been conducted widely because this type of analysis needs to be based on test results obtained from a well-designed environmental chamber that can simulate different thermal conditions. The Advanced Powertrain Research Facility at Argonne National Laboratory has equipped its environmental thermal chamber appropriately and has tested the 2010 Toyota Prius at different ambient room temperatures (-7 oC, 22 oC, and 35 oC). On the basis of the test results, the findings include the fact that the control behavior changes significantly according to the thermal conditions. For instance, the controller forces the engine to be turned on if the engine coolant temperature is below 53 oC. In addition to the thermal impacts on the controller, performance degradation of the powertrain components and the fuel efficiency levels of the vehicle are also analyzed using the test results. Although this study does not advance a novel idea, the information provided herein should be very useful to researchers seeking to understand controller behavior in the real world under different thermal conditions.
C1 [Kim, Namwook] Hanyang Univ, Dept Mech Engn, Ansan, Gyeonggi Do, South Korea.
[Rousseau, Aymeric] Argonne Natl Lab, Lemont, IL USA.
RP Kim, N (reprint author), 55 Hanyangdaehak Ro, Ansan 15588, Gyeonggi Do, South Korea.
EM nakim@anl.gov
FU US Department of Energy's Vehicle Technology Office; US Department of
Energy Office of Science laboratory [DE-AC02-06CH11357]
FX This work was supported by the US Department of Energy's Vehicle
Technology Office (grant number) under the direction of David Anderson
and Lee Slezak. The submitted manuscript was created by UChicago
Argonne, LLC, Operator of Argonne National Laboratory. Argonne National
Laboratory, a US Department of Energy Office of Science laboratory, is
operated under contract number DE-AC02-06CH11357. The US Government
retains for itself, and others acting on its behalf, a paid-up
nonexclusive irrevocable worldwide license in the said article to
reproduce, to prepare derivative works, to distribute copies to the
public, and to perform publicly and to display publicly, by or on behalf
of the Government.
NR 19
TC 0
Z9 0
U1 9
U2 24
PU SAGE PUBLICATIONS LTD
PI LONDON
PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND
SN 0954-4070
EI 2041-2991
J9 P I MECH ENG D-J AUT
JI Proc. Inst. Mech. Eng. Part D-J. Automob. Eng.
PD JAN
PY 2016
VL 230
IS 1
BP 82
EP 92
DI 10.1177/0954407015580217
PG 11
WC Engineering, Mechanical; Transportation Science & Technology
SC Engineering; Transportation
GA CZ8XF
UT WOS:000367381700007
ER
PT J
AU Vandamme, D
Beuckels, A
Vadelius, E
Depraetere, O
Noppe, W
Dutta, A
Foubert, I
Laurens, L
Muylaert, K
AF Vandamme, Dries
Beuckels, Annelies
Vadelius, Eric
Depraetere, Orily
Noppe, Wim
Dutta, Abhishek
Foubert, Imogen
Laurens, Lieve
Muylaert, Koenraad
TI Inhibition of alkaline flocculation by algal organic matter for
Chlorella vulgaris
SO WATER RESEARCH
LA English
DT Article
DE Extracellular polymeric substances; Dissolved organic matter;
Coagulation; Harvesting; Microalgae; Biofuels
ID EXTRACELLULAR POLYSACCHARIDES; HARVESTING MICROALGAE; GREEN-ALGAE; PH;
CULTIVATION; FLOTATION; BIOFUELS; COAGULATION; COMPLEXES; MAGNESIUM
AB Alkaline flocculation is a promising strategy for the concentration of microalgae for bulk biomass production. However, previous studies have shown that biological changes during the cultivation negatively affect flocculation efficiency. The influence of changes in cell properties and in the quality and composition of algal organic matter (AOM) were studied using Chlorella vulgaris as a model species. In batch cultivation, flocculation was increasingly inhibited over time and mainly influenced by changes in medium composition, rather than biological changes at the cell surface. Total carbohydrate content of the organic matter fraction sized bigger than 3 kDa increased over time and this fraction was shown to be mainly responsible for the inhibition of alkaline flocculation. The monosaccharide identification of this fraction mainly showed the presence of neutral and anionic monosaccharides. The addition of 30 -50 mg L-1 alginic acid, as a model for anionic carbohydrate polymers containing uronic acids, resulted in a complete inhibition of flocculation. These results suggest that inhibition of alkaline flocculation was caused by interaction of anionic polysaccharides leading to an increased flocculant demand over time. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Vandamme, Dries; Beuckels, Annelies; Depraetere, Orily; Muylaert, Koenraad] KU Leuven Kulak, Lab Aquat Biol, B-8500 Kortrijk, Belgium.
[Noppe, Wim] KU Leuven Kulak, IRF Life Siences, B-8500 Kortrijk, Belgium.
[Dutta, Abhishek] Katholieke Univ Leuven, Fac Ind Ingenieurswetenschappen, B-3000 Leuven, Belgium.
[Foubert, Imogen] KU Leuven Kulak, Res Unit Food & Lipids, Dept Mol & Microbial Syst Kulak, B-8500 Kortrijk, Belgium.
[Foubert, Imogen] Katholieke Univ Leuven, Leuven Food Sci & Nutr Res Ctr LFoRCe, B-3001 Heverlee, Belgium.
[Vadelius, Eric; Laurens, Lieve] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA.
RP Vandamme, D (reprint author), KU Leuven Kulak, Lab Aquat Biol, E Sabbelaan 53, B-8500 Kortrijk, Belgium.
EM dries.vandamme@kuleuven-kulak.be
RI Vandamme, Dries/I-7553-2015; Dutta, Abhishek/A-7039-2010
OI Vandamme, Dries/0000-0003-0941-2434; Dutta, Abhishek/0000-0002-0714-1119
FU Agency for Innovation by Science and Technology in Flanders (IWT
strategic research grant); Research Foundation Flanders [12D8914N]; U.S.
Department of Energy [DE-AC36-08-0028308]; National Renewable Energy
Laboratory as part of the BioEnergy Technology Office (BETO)
FX We would like to thank Okechukwu David Ezeudegbunam, Manel Azzabi, Dag
De Baere, Larissa Corat, and Kevin Vanneste for their contribution to
the practical execution of this study. The research presented in this
paper was financially supported by the Agency for Innovation by Science
and Technology in Flanders (IWT strategic research grant O. Depraetere)
and the Research Foundation Flanders (12D8914N) (FWO PhD fellowship A.
Beuckels; postdoctoral fellowship D. Vandamme). The analytical
carbohydrate characterization presented was based on work that was
supported by the U.S. Department of Energy under Contract No.
DE-AC36-08-0028308 with the National Renewable Energy Laboratory jointly
as part of the BioEnergy Technology Office (BETO).
NR 39
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U1 10
U2 50
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0043-1354
J9 WATER RES
JI Water Res.
PD JAN 1
PY 2016
VL 88
BP 301
EP 307
DI 10.1016/j.watres.2015.10.032
PG 7
WC Engineering, Environmental; Environmental Sciences; Water Resources
SC Engineering; Environmental Sciences & Ecology; Water Resources
GA CZ7JU
UT WOS:000367276500030
PM 26512808
ER
PT J
AU Robino, CV
AF Robino, C. V.
TI Engineering Approximations in Welding: Bridging the Gap between
Speculation and Simulation
SO WELDING JOURNAL
LA English
DT Article
DE Laser Welding; Modeling; Hot Cracking; High-Strength Steel;
Heat-Affected Zone
ID LASER IRRADIATION; KEYHOLE; ABSORPTION; BEHAVIOR; ENERGY
AB During the course of their careers, welding engineers and welding metallurgists are often confronted with questions regarding welding processes and properties that on the surface appear to be simple and direct, but are in fact quite challenging. These questions generally mask an underlying complexity whose underpinnings in scientific and applied research predate even the founding of the American Welding Society, and previous Comfort A. Adams lectures provide ample and fascinating evidence of the breadth and depth of this complexity. Using these studies or their own experiences and investigations as a basis, most welding and materials engineers have developed engineering tools to provide working approaches to these day-to-day questions and problems. In this article, several examples of research into developing working approaches to welding problems are presented. The examples were selected to span a range of problems from process physics, to materials/process interactions, and finally to weld properties development. The examples include time-resolved measurement of energy absorption in laser spot welding, assessment of the dynamics of solidification hot cracking in nickel-based alloys, and evaluation of the heat-affected zone softening in a modern ultrahigh-strength steel alloy. From these evaluations, some physical insight and comparatively simple phenomenological criteria and assessment methods are developed, and their use in day-to-day problems are outlined.
C1 [Robino, C. V.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Robino, CV (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX Sandia National Laboratories is a multiprogram laboratory managed and
operated by Sandia Corp., 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 42
TC 0
Z9 0
U1 3
U2 6
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 2016
VL 95
IS 1
BP 1S
EP 16S
PG 16
WC Metallurgy & Metallurgical Engineering
SC Metallurgy & Metallurgical Engineering
GA DA0PS
UT WOS:000367500200016
ER
PT J
AU Rekant, SI
Lyons, MA
Pacheco, JM
Arzt, J
Rodriguez, LL
AF Rekant, Steven I.
Lyons, Mark A.
Pacheco, Juan M.
Arzt, Jonathan
Rodriguez, Luis L.
TI Veterinary applications of infrared thermography
SO AMERICAN JOURNAL OF VETERINARY RESEARCH
LA English
DT Article
ID DAIRY-COWS; EYE TEMPERATURE; MOUTH-DISEASE; INTESTINAL VIABILITY;
SURFACE-TEMPERATURE; OCULAR THERMOGRAPHY; BODY-TEMPERATURE; PORK
QUALITY; HOOF LESIONS; HOT-IRON
AB Abnormal body temperature is a major indicator of disease; infrared thermography (IRT) can assess changes in body surface temperature quickly and remotely. This technology can be applied to a myriad of diseases of various etiologies across a wide range of host species in veterinary medicine. It is used to monitor the physiologic status of individual animals, such as measuring feed efficiency or diagnosing pregnancy. Infrared thermography has applications in the assessment of animal welfare, and has been used to detect soring in horses and monitor stress responses. This review addresses the variety of uses for IRT in veterinary medicine, including disease detection, physiologic monitoring, welfare assessment, and potential future applications.
C1 [Rodriguez, Luis L.] USDA, Plum Isl Anim Dis Ctr, Agr Res Serv, Foreign Anim Dis Res Unit, Greenport, NY 11944 USA.
Plum Isl Anim Dis Ctr, Oak Ridge Inst Sci & Educ, Res Participat Program, Oak Ridge, TN 37831 USA.
RP Rodriguez, LL (reprint author), USDA, Plum Isl Anim Dis Ctr, Agr Res Serv, Foreign Anim Dis Res Unit, Greenport, NY 11944 USA.
EM luis.rodriguez@ars.usda.gov
OI Pacheco, Juan/0000-0001-5477-0201
FU CRIS project (USDA Agricultural Research Service) [1940-32000-057-00D];
Science and Technology Directorate of the US Department of Homeland
Security [HSHQPM-13-X-00131]; Plum Island Animal Disease Center Research
Participation Program
FX Supported in part by CRIS project 1940-32000-057-00D (USDA Agricultural
Research Service) and an interagency agreement with the Science and
Technology Directorate of the US Department of Homeland Security (award
No. HSHQPM-13-X-00131). Steven Rekant and Mark Lyons were recipients of
Plum Island Animal Disease Center Research Participation Program
fellowships, administered by the Oak Ridge Institute for Science and
Education through an interagency agreement with the US Department of
Energy.
NR 81
TC 1
Z9 1
U1 9
U2 33
PU AMER VETERINARY MEDICAL ASSOC
PI SCHAUMBURG
PA 1931 N MEACHAM RD SUITE 100, SCHAUMBURG, IL 60173-4360 USA
SN 0002-9645
EI 1943-5681
J9 AM J VET RES
JI Am. J. Vet. Res.
PD JAN
PY 2016
VL 77
IS 1
BP 98
EP 107
PG 10
WC Veterinary Sciences
SC Veterinary Sciences
GA CZ7CJ
UT WOS:000367257200012
PM 26709943
ER
PT J
AU Shao, GC
Lu, DL
Fu, ZF
Du, D
Ozanich, RM
Wang, WJ
Lin, YH
AF Shao, Guocheng
Lu, Donglai
Fu, Zhifeng
Du, Dan
Ozanich, Richard M.
Wang, Wanjun
Lin, Yuehe
TI Design, fabrication and test of a pneumatically controlled, renewable,
microfluidic bead trapping device for sequential injection analysis
applications
SO ANALYST
LA English
DT Article
ID FLOW-INJECTION; MICROCOLUMNS; IMMUNOASSAY; MICROCHIP; ANALYZER; SYSTEM;
ASSAYS; CELL; TOOL
AB This paper describes the design, fabrication, and testing of a pneumatically controlled, renewable, microfluidic device for conducting bead-based assays in an automated sequential injection analysis system. The device used a "brick wall"-like pillar array (pillar size: 20 mu m length x 50 mu m width x 45 mu m height) with 5 mu m gaps between the pillars serving as the micro filter. The flow channel where bead trapping occurred is 500 mu m wide x 75 mu m deep. An elastomeric membrane and an air chamber were located underneath the flow channel. By applying pressure to the air chamber, the membrane is deformed and pushed upward against the filter structure. This effectively traps beads larger than 5 mu m and creates a "bed" or micro column of beads that can be perfused and washed with liquid samples and reagents. Upon completion of the assay process, the pressure is released and the beads are flushed out from underneath the filter structure to renew the device. Mouse IgG was used as a model analyte to test the feasibility of using the proposed device for immunoassay applications. Resulting microbeads from an on-chip fluorescent immunoassay were individually examined using flow cytometry. The results show that the fluorescence signal intensity distribution is fairly narrow indicating high chemical reaction uniformity among the beads population. Electrochemical on-chip assay was also conducted. A detection limit of 1 ppb was achieved and good device reliability and repeatability were demonstrated. The novel microfluidic-based beads-trapping device thus opens up a new pathway to design micro-bead based immunoassays for various applications.
C1 [Shao, Guocheng; Wang, Wanjun] Louisiana State Univ, Dept Mech Engn, Baton Rouge, LA 70803 USA.
[Shao, Guocheng; Lu, Donglai; Fu, Zhifeng; Du, Dan; Ozanich, Richard M.; Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Du, Dan; Lin, Yuehe] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA.
RP Wang, WJ (reprint author), Louisiana State Univ, Dept Mech Engn, Baton Rouge, LA 70803 USA.
EM wang@me.lsu.edu; yuehe.lin@wsu.edu
RI Lin, Yuehe/D-9762-2011
OI Lin, Yuehe/0000-0003-3791-7587
FU LDRD program at Pacific Northwest National Laboratory; Department of
Energy's Office of Biological and Environmental Research; DOE by
Battelle [DE-AC05-76RL01830]; Centers for Disease Control and
Prevention/National Institute for Occupational Safety and Health
(CDC/NIOSH) [R21OH010768]
FX The work was partly supported by a LDRD program at Pacific Northwest
National Laboratory. Part of the research described in this paper was
performed using EMSL, a national scientific user facility sponsored by
the Department of Energy's Office of Biological and Environmental
Research and located at PNNL. PNNL is operated for DOE by Battelle under
Contract DE-AC05-76RL01830. DD and YL acknowledge the financial support
by Centers for Disease Control and Prevention/National Institute for
Occupational Safety and Health (CDC/NIOSH) Grant No. R21OH010768. The
contents are solely the responsibility of the authors and do not
necessarily represent the official views of the CDC. We would like to
thank Dr Jun Wang for helpful discussion.
NR 24
TC 1
Z9 1
U1 6
U2 30
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 0003-2654
EI 1364-5528
J9 ANALYST
JI Analyst
PY 2016
VL 141
IS 1
BP 206
EP 215
DI 10.1039/c5an01475a
PG 10
WC Chemistry, Analytical
SC Chemistry
GA CY6NY
UT WOS:000366527300024
PM 26566573
ER
PT J
AU Vaccaro, BJ
Thorgersen, MP
Lancaster, WA
Price, MN
Wetmore, KM
Poole, FL
Deutschbauer, A
Arkin, AP
Adams, MWW
AF Vaccaro, Brian J.
Thorgersen, Michael P.
Lancaster, W. Andrew
Price, Morgan N.
Wetmore, Kelly M.
Poole, Farris L., II
Deutschbauer, Adam
Arkin, Adam P.
Adams, Michael W. W.
TI Determining Roles of Accessory Genes in Denitrification by Mutant
Fitness Analyses
SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY
LA English
DT Article
ID NITROUS-OXIDE REDUCTASE; DENITRIFYING PSEUDOMONAS-STUTZERI;
COPPER-SULFUR CLUSTER; NITRIC-OXIDE; ELECTRON-TRANSFER;
ESCHERICHIA-COLI; NITRATE RESPIRATION; ENZYME MATURATION; STRUCTURAL
BASIS; REGULATOR DNR
AB Enzymes of the denitrification pathway play an important role in the global nitrogen cycle, including release of nitrous oxide, an ozone-depleting greenhouse gas. In addition, nitric oxide reductase, maturation factors, and proteins associated with nitric oxide detoxification are used by pathogens to combat nitric oxide release by host immune systems. While the core reductases that catalyze the conversion of nitrate to dinitrogen are well understood at a mechanistic level, there are many peripheral proteins required for denitrification whose basic function is unclear. A bar-coded transposon DNA library from Pseudomonas stutzeri strain RCH2 was grown under denitrifying conditions, using nitrate or nitrite as an electron acceptor, and also under molybdenum limitation conditions, with nitrate as the electron acceptor. Analysis of sequencing results from these growths yielded gene fitness data for 3,307 of the 4,265 protein-encoding genes present in strain RCH2. The insights presented here contribute to our understanding of how peripheral proteins contribute to a fully functioning denitrification pathway. We propose a new low-affinity molybdate transporter, OatABC, and show that differential regulation is observed for two MoaA homologs involved in molybdenum cofactor biosynthesis. We also propose that NnrS may function as a membrane-bound NO sensor. The dominant HemN paralog involved in heme biosynthesis is identified, and a CheR homolog is proposed to function in nitrate chemotaxis. In addition, new insights are provided into nitrite reductase redundancy, nitric oxide reductase maturation, nitrous oxide reductase maturation, and regulation.
C1 [Vaccaro, Brian J.; Thorgersen, Michael P.; Lancaster, W. Andrew; Poole, Farris L., II; Adams, Michael W. W.] Univ Georgia, Dept Biochem & Mol Biol, Athens, GA 30602 USA.
[Price, Morgan N.; Wetmore, Kelly M.; Deutschbauer, Adam; Arkin, Adam P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
RP Adams, MWW (reprint author), Univ Georgia, Dept Biochem & Mol Biol, Athens, GA 30602 USA.
EM adams@bmb.uga.edu
RI Arkin, Adam/A-6751-2008;
OI Arkin, Adam/0000-0002-4999-2931; Price, Morgan/0000-0002-4251-0362
FU U.S. Department of Energy, Office of Science, Office of Biological &
Environmental Research [DE-AC02-05CH11231]
FX This material by ENIGMA (Ecosystems and Networks Integrated with Genes
and Molecular Assemblies [http://enigma.lbl.gov]), a scientific focus
area program at Lawrence Berkeley National Laboratory, is based upon
work supported by the U.S. Department of Energy, Office of Science,
Office of Biological & Environmental Research, under contract number
DE-AC02-05CH11231. All authors are associated with this contract. The
funders had no role in study design, data collection and interpretation,
or the decision to submit the work for publication.
NR 65
TC 4
Z9 4
U1 6
U2 31
PU AMER SOC MICROBIOLOGY
PI WASHINGTON
PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA
SN 0099-2240
EI 1098-5336
J9 APPL ENVIRON MICROB
JI Appl. Environ. Microbiol.
PD JAN
PY 2016
VL 82
IS 1
BP 51
EP 61
DI 10.1128/AEM.02602-15
PG 11
WC Biotechnology & Applied Microbiology; Microbiology
SC Biotechnology & Applied Microbiology; Microbiology
GA CZ1UO
UT WOS:000366891200006
ER
PT J
AU Nelson, WC
Maezato, Y
Wu, YW
Romine, MF
Lindemann, SR
AF Nelson, William C.
Maezato, Yukari
Wu, Yu-Wei
Romine, Margaret F.
Lindemann, Stephen R.
TI Identification and Resolution of Microdiversity through Metagenomic
Sequencing of Parallel Consortia
SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY
LA English
DT Article
ID MICROBIAL COMMUNITIES; GENE-SEQUENCES; GENOMES; POPULATION; DIVERSITY;
BACTERIAL; METABOLISM; FRAGMENTS; PHYLOGENY; ALGORITHM
AB To gain a predictive understanding of the interspecies interactions within microbial communities that govern community function, the genomic complement of every member population must be determined. Although metagenomic sequencing has enabled the de novo reconstruction of some microbial genomes from environmental communities, microdiversity confounds current genome reconstruction techniques. To overcome this issue, we performed short-read metagenomic sequencing on parallel consortia, defined as consortia cultivated under the same conditions from the same natural community with overlapping species composition. The differences in species abundance between the two consortia allowed reconstruction of near-complete (at an estimated >85% of gene complement) genome sequences for 17 of the 20 detected member species. Two Halomonas spp. indistinguishable by amplicon analysis were found to be present within the community. In addition, comparison of metagenomic reads against the consensus scaffolds revealed within-species variation for one of the Halomonas populations, one of the Rhodo-bacteraceae populations, and the Rhizobiales population. Genomic comparison of these representative instances of inter-and intraspecies microdiversity suggests differences in functional potential that may result in the expression of distinct roles in the community. In addition, isolation and complete genome sequence determination of six member species allowed an investigation into the sensitivity and specificity of genome reconstruction processes, demonstrating robustness across a wide range of sequence coverage (9x to 2,700x) within the metagenomic data set.
C1 [Nelson, William C.; Maezato, Yukari; Romine, Margaret F.; Lindemann, Stephen R.] Pacific NW Natl Lab, Earth & Biol Sci Directorate, Div Biol Sci, Richland, WA 99352 USA.
[Wu, Yu-Wei] Joint BioEnergy Inst, Emeryville, CA USA.
[Wu, Yu-Wei] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
RP Nelson, WC (reprint author), Pacific NW Natl Lab, Earth & Biol Sci Directorate, Div Biol Sci, Richland, WA 99352 USA.
EM william.nelson@pnnl.gov
RI Nelson, William/E-9263-2016; Lindemann, Steve/H-6088-2016;
OI Nelson, William/0000-0002-1873-3929; Lindemann,
Steve/0000-0002-3788-5389; Romine, Margaret/0000-0002-0968-7641
FU U.S. Department of Energy (DOE) [56812]; U.S. Department of Energy (DOE)
Genome Sciences Program (GSP), Office of Biological and Environmental
Research (OBER); DOE Joint Genome Institute [DE-AC0205CH11231];
Community Science Project [701]; U.S. Department of Energy, Office of
Science, Office of Biological and Environmental Research
[DE-AC02-05CH11231]
FX U.S. Department of Energy (DOE) provided funding to William C. Nelson
under grant number 56812.; This work was supported by the U.S.
Department of Energy (DOE) Genome Sciences Program (GSP), Office of
Biological and Environmental Research (OBER), and is a contribution of
the Pacific Northwest National Laboratory (PNNL) Foundational Scientific
Focus Area. Sequencing was done at the DOE Joint Genome Institute under
contract no. DE-AC0205CH11231 and Community Science Project 701. This
work was part of the DOE Joint BioEnergy Institute (http://www.jbei.org)
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.
NR 51
TC 3
Z9 3
U1 6
U2 17
PU AMER SOC MICROBIOLOGY
PI WASHINGTON
PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA
SN 0099-2240
EI 1098-5336
J9 APPL ENVIRON MICROB
JI Appl. Environ. Microbiol.
PD JAN
PY 2016
VL 82
IS 1
BP 255
EP 267
DI 10.1128/AEM.02274-15
PG 13
WC Biotechnology & Applied Microbiology; Microbiology
SC Biotechnology & Applied Microbiology; Microbiology
GA CZ1UO
UT WOS:000366891200026
PM 26497460
ER
PT J
AU Jun, SR
Wassenaar, TM
Nookaew, I
Hauser, L
Wanchai, V
Land, M
Timm, CM
Lu, TYS
Schadt, CW
Doktycz, MJ
Pelletier, DA
Ussery, DW
AF Jun, Se-Ran
Wassenaar, Trudy M.
Nookaew, Intawat
Hauser, Loren
Wanchai, Visanu
Land, Miriam
Timm, Collin M.
Lu, Tse-Yuan S.
Schadt, Christopher W.
Doktycz, Mitchel J.
Pelletier, Dale A.
Ussery, David W.
TI Diversity of Pseudomonas Genomes, Including Populus-Associated Isolates,
as Revealed by Comparative Genome Analysis
SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY
LA English
DT Article
ID MULTIPLE SEQUENCE ALIGNMENT; FLUORESCENS; RHIZOSPHERE; PERFORMANCE;
ENDOSPHERE; ANNOTATION; DELTOIDES; VERSION
AB The Pseudomonas genus contains a metabolically versatile group of organisms that are known to occupy numerous ecological niches, including the rhizosphere and endosphere of many plants. Their diversity influences the phylogenetic diversity and heterogeneity of these communities. On the basis of average amino acid identity, comparative genome analysis of >1,000 Pseudomonas genomes, including 21 Pseudomonas strains isolated from the roots of native Populus deltoides (eastern cottonwood) trees resulted in consistent and robust genomic clusters with phylogenetic homogeneity. All Pseudomonas aeruginosa genomes clustered together, and these were clearly distinct from other Pseudomonas species groups on the basis of pangenome and core genome analyses. In contrast, the genomes of Pseudomonas fluorescens were organized into 20 distinct genomic clusters, representing enormous diversity and heterogeneity. Most of our 21 Populus-associated isolates formed three distinct subgroups within the major P. fluorescens group, supported by pathway profile analysis, while two isolates were more closely related to Pseudomonas chlororaphis and Pseudomonas putida. Genes specific to Populus-associated subgroups were identified. Genes specific to subgroup 1 include several sensory systems that act in two-component signal transduction, a TonB-dependent receptor, and a phosphorelay sensor. Genes specific to subgroup 2 contain hypothetical genes, and genes specific to subgroup 3 were annotated with hydrolase activity. This study justifies the need to sequence multiple isolates, especially from P. fluorescens, which displays the most genetic variation, in order to study functional capabilities from a pangenomic perspective. This information will prove useful when choosing Pseudomonas strains for use to promote growth and increase disease resistance in plants.
C1 [Jun, Se-Ran] Univ Tennessee, Joint Inst Computat Sci, Knoxville, TN USA.
[Wassenaar, Trudy M.] Mol Microbiol & Genom Consultants, Zotzenheim, Germany.
[Nookaew, Intawat; Hauser, Loren; Wanchai, Visanu; Land, Miriam; Timm, Collin M.; Lu, Tse-Yuan S.; Schadt, Christopher W.; Doktycz, Mitchel J.; Pelletier, Dale A.; Ussery, David W.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
RP Ussery, DW (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
EM usserydw@ornl.gov
RI Land, Miriam/A-6200-2011; Schadt, Christopher/B-7143-2008; Doktycz,
Mitchel/A-7499-2011;
OI Land, Miriam/0000-0001-7102-0031; Schadt,
Christopher/0000-0001-8759-2448; Doktycz, Mitchel/0000-0003-4856-8343;
Ussery, David/0000-0003-3632-5512
FU Genomic Science Program, U.S. Department of Energy, Office of Science,
Biological and Environmental Research, Plant-Microbe Interfaces
Scientific Focus Area; U.S. Department of Energy [DE-AC05-00OR22725]
FX This research was sponsored by the Genomic Science Program, U.S.
Department of Energy, Office of Science, Biological and Environmental
Research, as part of the Plant-Microbe Interfaces Scientific Focus Area
(http://pmi.ornl.gov). Oak Ridge National Laboratory is managed by
UT-Battelle, LLC, for the U.S. Department of Energy under contract
DE-AC05-00OR22725.
NR 27
TC 8
Z9 8
U1 3
U2 14
PU AMER SOC MICROBIOLOGY
PI WASHINGTON
PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA
SN 0099-2240
EI 1098-5336
J9 APPL ENVIRON MICROB
JI Appl. Environ. Microbiol.
PD JAN
PY 2016
VL 82
IS 1
BP 375
EP 383
DI 10.1128/AEM.02612-15
PG 9
WC Biotechnology & Applied Microbiology; Microbiology
SC Biotechnology & Applied Microbiology; Microbiology
GA CZ1UO
UT WOS:000366891200037
PM 26519390
ER
PT J
AU Pritychenko, B
Birch, M
Singh, B
Horoi, M
AF Pritychenko, B.
Birch, M.
Singh, B.
Horoi, M.
TI Tables of E2 transition probabilities from the first 2(+) states in
even-even nuclei
SO ATOMIC DATA AND NUCLEAR DATA TABLES
LA English
DT Article
DE B(E2); First 2(+) states; Z=2-104; Deformation; Evaluation; Nuclear data
ID INELASTIC ELECTRON-SCATTERING; LOW-LYING STATES; HIGH-SPIN STATES;
DOPPLER-SHIFT ATTENUATION; REORIENTATION-EFFECT MEASUREMENTS; DISTANCE
LIFETIME MEASUREMENTS; TRANSITION QUADRUPOLE-MOMENTS; GAMMA-RAY
SPECTROSCOPY; RARE-EARTH NUCLEI; COULOMB-EXCITATION MEASUREMENTS
AB Experimental results of E2 transition probabilities or B(E2) values for the known first 2(+) states in 447 even-even nuclei have been compiled and evaluated. The evaluation policies for the analysis of experimental data have been described and new results are discussed. The recommended B(E2) values have been compared with comprehensive shell model calculations for a selected set of nuclei, where such theoretical procedures are amenable. The present work was motivated by a rapid increase in the number of new B(E2) measurements for the first 2(+) states since the previous evaluation of such data by S. Raman et al. published in 2001. Future plans to investigate the systematics of B(E2)up arrow values, and intercomparison of different experimental techniques to obtain these data are outlined. Published by Elsevier Inc.
C1 [Pritychenko, B.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
[Birch, M.; Singh, B.] McMaster Univ, Dept Phys & Astron, Hamilton, ON L8S 4M1, Canada.
[Horoi, M.] Cent Michigan Univ, Dept Phys, Mt Pleasant, MI 48859 USA.
RP Pritychenko, B (reprint author), Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
EM pritychenko@bnl.gov
OI Pritychenko, Boris/0000-0002-3342-8631
FU Office of Nuclear Physics, Office of Science of the US Department of
Energy [KB0301042, DE-AC02-98CH10886]; Brookhaven Science Associates,
LLC.; DOE [DE-FG02-98-ER41080]; U.S. NSF [PHY-1404442]; U.S. Department
of Energy [DE-SC0008529]
FX The authors are grateful to Dr. M. Herman (BNL) for his constant support
of this project, J. Choquette and B. Karamy (McMaster University) for
the help with compilation work in early stages of this project. We
acknowledge Profs. T. Glasmacher, V.G. Zelevinsky (MSU), T. Motobayashi
(RIKEN), V. Denisov (KINR) and J. Totans and M. Blennau (BNL) for
productive discussions, help with the references and careful reading of
the manuscript and useful suggestions, respectively. Finally, we would
like to thank many authors, who provided valuable insights on their
data. These communications have helped to resolve many experimental
discrepancies. This work was funded by the Office of Nuclear Physics,
Office of Science of the US Department of Energy grant KB0301042, under
Contract No. DE-AC02-98CH10886 with Brookhaven Science Associates, LLC.
Work at McMaster University was also supported by DOE grant
DE-FG02-98-ER41080. M.H. acknowledges U.S. NSF Grant No. PHY-1404442 and
U.S. Department of Energy Grant No. DE-SC0008529.
NR 1349
TC 19
Z9 19
U1 5
U2 17
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 2016
VL 107
BP 1
EP 139
DI 10.1016/j.adt.2015.10.001
PG 139
WC Physics, Atomic, Molecular & Chemical; Physics, Nuclear
SC Physics
GA CZ1MH
UT WOS:000366869400001
ER
PT J
AU Williams, CL
Vinter, KP
Chang, CC
Xiong, RC
Green, SK
Sandler, SI
Vlachos, DG
Fan, W
Dauenhauer, PJ
AF Williams, C. Luke
Vinter, Katherine P.
Chang, Chun-Chih
Xiong, Ruichang
Green, Sara K.
Sandler, Stanley I.
Vlachos, Dionisios G.
Fan, Wei
Dauenhauer, Paul J.
TI Kinetic regimes in the tandem reactions of H-BEA catalyzed formation of
p-xylene from dimethylfuran
SO CATALYSIS SCIENCE & TECHNOLOGY
LA English
DT Article
ID MONTE-CARLO SIMULATIONS; ZEOLITE-BETA; POTENTIAL FUNCTIONS; N-ALKANES;
BIOMASS; ACID; GLUCOSE; ADSORPTION; ETHYLENE; WATER
AB Reaction kinetics and pathways of p-xylene formation from 2,5-dimethylfuran (DMF) and ethylene via cascade reactions of Diels-Alder cycloaddition and subsequent dehydration over H-BEA zeolite (Si/Al = 12.5) were characterized. Two distinct kinetic regimes were discovered corresponding to the rate limiting reaction, namely Diels-Alder cycloaddition and cycloadduct dehydration, as the concentration of Bronsted acid sites decreases. At catalyst loadings with effective acid site concentrations exceeding a critical value (similar to 2.0 mM), the rate of formation of Diels-Alder products becomes constant. Under these conditions, the measured activation energy of 17.7 +/- 1.4 kcal mol(-1) and reaction orders correspond to the [4 + 2] Diels-Alder cycloaddition reaction of DMF and ethylene. Conversely, at catalyst loadings below the critical value, the formation rate of p-xylene becomes first order in catalyst loading, and the measured activation energy of 11.3 +/- 3.5 kcal mol(-1) is consistent with dehydration of the Diels-Alder cycloadduct to p-xylene. Experimental comparison between H-BEA and H-Y zeolite catalysts at identical conditions indicates that the micropore structure controls side reactions such as furan dimerization and hydrolysis; the latter is supported via molecular simulation revealing a substantially higher loading of DMF within H-Y than within H-BEA zeolites at reaction conditions.
C1 [Vinter, Katherine P.; Dauenhauer, Paul J.] Univ Minnesota, Dept Chem Engn Mat Sci, Minneapolis, MN 55455 USA.
[Williams, C. Luke; Chang, Chun-Chih; Green, Sara K.; Fan, Wei] Univ Massachusetts, Dept Chem Engn, Amherst, MA 01003 USA.
[Xiong, Ruichang; Sandler, Stanley I.; Vlachos, Dionisios G.] Univ Delaware, Dept Chem & Biomol Engn, Colburn Lab, Newark, DE 19716 USA.
[Williams, C. Luke; Vinter, Katherine P.; Chang, Chun-Chih; Xiong, Ruichang; Green, Sara K.; Sandler, Stanley I.; Vlachos, Dionisios G.; Fan, Wei; Dauenhauer, Paul J.] US DOE, Catalysis Ctr Energy Innovat, Frontier Res Ctr, Washington, DC 20585 USA.
RP Williams, CL (reprint author), Univ Massachusetts, Dept Chem Engn, 686 North Pleasant St, Amherst, MA 01003 USA.
EM hauer@umn.edu
OI Vlachos, Dionisios/0000-0002-6795-8403
FU Catalysis Center for Energy Innovation, an Energy Frontier Research
Center - U.S. Department of Energy, Office of Science, Office of Basic
Energy Sciences [DE-SC0001004]
FX This material is supported as part of the Catalysis Center for Energy
Innovation, 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-SC0001004.
NR 54
TC 3
Z9 3
U1 15
U2 44
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2044-4753
EI 2044-4761
J9 CATAL SCI TECHNOL
JI Catal. Sci. Technol.
PY 2016
VL 6
IS 1
BP 178
EP 187
DI 10.1039/c5cy01320h
PG 10
WC Chemistry, Physical
SC Chemistry
GA CZ1HS
UT WOS:000366857300016
ER
PT J
AU Wu, PW
Zhu, WS
Chao, YH
Zhang, JS
Zhang, PF
Zhu, HY
Li, CF
Chen, ZG
Li, HM
Dai, S
AF Wu, Peiwen
Zhu, Wenshuai
Chao, Yanhong
Zhang, Jinshui
Zhang, Pengfei
Zhu, Huiyuan
Li, Changfeng
Chen, Zhigang
Li, Huaming
Dai, Sheng
TI A template-free solvent-mediated synthesis of high surface area boron
nitride nanosheets for aerobic oxidative desulfurization
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID DIESEL FUEL; GRAPHENE; NANOSTRUCTURES; NANOCRYSTALS; FABRICATION;
REDUCTION; CLUSTERS; CATALYST; OXYGEN; GOLD
AB Hexagonal boron nitride nanosheets (h-BNNs) with rather high specific surface area (SSA) are important two-dimensional layer-structured materials. Here, a solvent-mediated synthesis of h-BNNs revealed a template-free lattice plane control strategy that induced high SSA nanoporous structured h-BNNs with outstanding aerobic oxidative desulfurization performance.
C1 [Wu, Peiwen; Li, Changfeng] Jiangsu Univ, Sch Energy & Power Engn, Zhenjiang 212013, Peoples R China.
[Zhu, Wenshuai; Chao, Yanhong; Chen, Zhigang] Jiangsu Univ, Sch Chem & Chem Engn, Zhenjiang 212013, Peoples R China.
[Zhu, Wenshuai; Chao, Yanhong; Zhang, Jinshui; Zhang, Pengfei; Zhu, Huiyuan; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Li, Huaming] Jiangsu Univ, Inst Energy Res, Zhenjiang 212013, Peoples R China.
RP Zhu, WS (reprint author), Jiangsu Univ, Sch Chem & Chem Engn, Zhenjiang 212013, Peoples R China.
EM zhuws@ujs.edu.cn; lihm@ujs.edu.cn; dais@ornl.gov
RI zhang, Jinshui/D-9749-2016; Dai, Sheng/K-8411-2015
OI zhang, Jinshui/0000-0003-4649-6526; Dai, Sheng/0000-0002-8046-3931
FU National Nature Science Foundation of China [21376111, 21276117,
21576122]; Six Big Talent Peak in Jiangsu province [JNHB-004];
Postgraduate Innovation Project of Jiangsu Province [KYLX15_1067];
Division of Chemical Sciences, Geosciences, and Biosciences, Office of
Basic Energy Sciences, U.S. Department of Energy
FX We thank the National Nature Science Foundation of China (No. 21376111,
21276117 and 21576122), Six Big Talent Peak in Jiangsu province
(JNHB-004), and the Postgraduate Innovation Project of Jiangsu Province
(No. KYLX15_1067). SD was sponsored by the Division of Chemical
Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences,
U.S. Department of Energy.
NR 34
TC 24
Z9 25
U1 77
U2 192
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 2016
VL 52
IS 1
BP 144
EP 147
DI 10.1039/c5cc07830j
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA CZ1HO
UT WOS:000366856900025
PM 26502800
ER
PT J
AU Ghosh, A
Palchoudhury, S
Thangavel, R
Zhou, ZY
Naghibolashrafi, N
Ramasamy, K
Gupta, A
AF Ghosh, Anima
Palchoudhury, Soubantika
Thangavel, Rajalingam
Zhou, Ziyou
Naghibolashrafi, Nariman
Ramasamy, Karthik
Gupta, Arunava
TI A new family of wurtzite-phase Cu(2)ZnAS(4-x) and CuZn(2)AS(4) (A = Al,
Ga, In) nanocrystals for solar energy conversion applications
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID PARTIAL CATION-EXCHANGE; SEMICONDUCTOR NANORODS; COLLOIDAL SYNTHESIS;
CU2ZNSNS4 NANORODS; BAND-GAP; CELLS; SULFIDE; ROUTES; RATIO; ZN
AB A new family of quaternary semiconductors Cu(2)ZnAS(4-x) and CuZn(2)AS(4) (A = Al, Ga, In) has been synthesized in the form of wurtzite phase nanocrystals for the first time. The nanocrystals can be converted to the stannite phase via thermal annealing under a N-2 atmosphere. A direct band gap in the visible wavelength region combined with a high absorption cross-section makes these materials promising for solar energy conversion applications.
C1 [Ghosh, Anima; Palchoudhury, Soubantika; Zhou, Ziyou; Naghibolashrafi, Nariman; Gupta, Arunava] Univ Alabama, Ctr Mat Informat Technol, Tuscaloosa, AL 35487 USA.
[Ghosh, Anima; Thangavel, Rajalingam] Indian Sch Mines, Dept Appl Phys, Dhanbad, Jharkhand, India.
[Ramasamy, Karthik] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Albuquerque, NM USA.
RP Palchoudhury, S (reprint author), Univ Alabama, Ctr Mat Informat Technol, Tuscaloosa, AL 35487 USA.
EM soubantika@gmail.com; thangavel.r.ap@ismdhanbad.ac.in;
kramasamy@lanl.gov; agupta@mint.ua.edu
FU US DOE, Office of Basic Energy Sciences, Div. Material Sciences and Eng.
Award [DE-FG02-08ER46537]; Bhaskara Advanced Solar Energy Fellowship of
Indo-US Sci Tech Forum
FX This work was supported by the US DOE, Office of Basic Energy Sciences,
Div. Material Sciences and Eng. Award DE-FG02-08ER46537. A. Ghosh was
supported by a Bhaskara Advanced Solar Energy Fellowship of Indo-US Sci
& Tech Forum. The authors thank UA-CAF for TEM, SEM, and XPS and
UA-Geology Dept. for XRD. The authors thank Rob Holler for XPS
measurements. The authors acknowledge UA-MINT and ISM, Dhanbad.
NR 38
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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 2016
VL 52
IS 2
BP 264
EP 267
DI 10.1039/c5cc07743e
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA CZ1IK
UT WOS:000366859200004
PM 26466863
ER
PT J
AU Sun, XG
Fang, YX
Jiang, XG
Yoshii, K
Tsuda, T
Dai, S
AF Sun, Xiao-Guang
Fang, Youxing
Jiang, Xueguang
Yoshii, Kazuki
Tsuda, Tetsuya
Dai, Sheng
TI Polymer gel electrolytes for application in aluminum deposition and
rechargeable aluminum ion batteries
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID TRIHALIDE-TETRAHYDROFURAN COMPLEXES; MOLTEN-SALT ELECTROLYTE;
SPECTROSCOPIC INVESTIGATIONS; ELECTRODEPOSITION; LIQUIDS; CHLORIDE;
METALS; ALCL3; ELECTROCHEMISTRY; SEMICONDUCTORS
AB A polymer gel electrolyte using AlCl3 complexed acrylamide as a functional monomer and acidic ionic liquid based on a mixture of 1-ethyl-3-methylimidazolium chloride (EMImCl) and AlCl3 (EMImCl-AlCl3, 1-1.5, in molar ratio) as a plasticizer has been successfully prepared for the first time via free radical polymerization. Aluminum deposition is successfully achieved using a polymer gel electrolyte containing 80 wt% ionic liquid. The polymer gel electrolytes are also good candidates for rechargeable aluminum ion batteries.
C1 [Sun, Xiao-Guang; Fang, Youxing; Jiang, Xueguang; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Fang, Youxing; Jiang, Xueguang; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
[Yoshii, Kazuki; Tsuda, Tetsuya] Osaka Univ, Grad Sch Engn, Dept Appl Chem, Suita, Osaka 5650871, Japan.
RP Sun, XG (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
EM sunx@ornl.gov; dais@ornl.gov
RI Jiang, Xueguang/J-5784-2013; Yoshii, Kazuki/H-9700-2016; fang,
youxing/K-1972-2016; Dai, Sheng/K-8411-2015; Tsuda, Tetsuya/F-7234-2014
OI Jiang, Xueguang/0000-0002-9937-6029; Yoshii, Kazuki/0000-0001-8904-6790;
Dai, Sheng/0000-0002-8046-3931; Tsuda, Tetsuya/0000-0001-9462-8066
FU Strategic Environmental research and Development Program (SERDP) of the
Department of Defence (DOD) [WP2316]
FX This work was funded by the Strategic Environmental research and
Development Program (SERDP) of the Department of Defence (DOD) (WP2316).
NR 43
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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 2016
VL 52
IS 2
BP 292
EP 295
DI 10.1039/c5cc06643c
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA CZ1IK
UT WOS:000366859200011
PM 26511160
ER
PT J
AU Ni, W
Li, MM
Kan, B
Liu, F
Wan, XJ
Zhang, Q
Zhang, HT
Russell, TP
Chen, YS
AF Ni, Wang
Li, Miaomiao
Kan, Bin
Liu, Feng
Wan, Xiangjian
Zhang, Qian
Zhang, Hongtao
Russell, Thomas P.
Chen, Yongsheng
TI Fullerene-free small molecule organic solar cells with a high open
circuit voltage of 1.15 V
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID POWER CONVERSION EFFICIENCY; ENERGY-LOSSES; PHOTOVOLTAIC APPLICATIONS;
10-PERCENT EFFICIENCY; CONJUGATED POLYMERS; ELECTRON-ACCEPTORS;
BENZODITHIOPHENE; RECOMBINATION; MORPHOLOGY; DESIGN
AB A new small molecule named DTBTF with thiobarbituric acid as a terminal group was designed and synthesized as an acceptor for organic photovoltaic applications. DTBTF exhibits strong absorption in the visible region, and a relatively high lying LUMO energy level (-3.62 eV). All-small-molecule organic solar cells based on DR3TSBDT:DTBTF blend films show a considerable PCE of 3.84% with a high V-oc of 1.15 V.
C1 [Ni, Wang; Li, Miaomiao; Kan, Bin; Wan, Xiangjian; Zhang, Qian; Zhang, Hongtao; Chen, Yongsheng] Nankai Univ, Collaborat Innovat Ctr Chem Sci & Engn Tianjin, Sch Mat Sci & Engn, State Key Lab, Tianjin 300071, Peoples R China.
[Ni, Wang; Li, Miaomiao; Kan, Bin; Wan, Xiangjian; Zhang, Qian; Zhang, Hongtao; Chen, Yongsheng] Nankai Univ, Collaborat Innovat Ctr Chem Sci & Engn Tianjin, Sch Mat Sci & Engn, Inst Elementoorgan Chem, Tianjin 300071, Peoples R China.
[Ni, Wang; Li, Miaomiao; Kan, Bin; Wan, Xiangjian; Zhang, Qian; Zhang, Hongtao; Chen, Yongsheng] Nankai Univ, Key Lab Funct Polymer Mat, Inst Polymer Chem, Coll Chem, Tianjin 300071, Peoples R China.
[Ni, Wang; Li, Miaomiao; Kan, Bin; Wan, Xiangjian; Zhang, Qian; Zhang, Hongtao; Chen, Yongsheng] Nankai Univ, Ctr Nanoscale Sci & Technol, Inst Polymer Chem, Coll Chem, Tianjin 300071, Peoples R China.
[Liu, Feng; Russell, Thomas P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Russell, Thomas P.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA.
RP Wan, XJ (reprint author), Nankai Univ, Collaborat Innovat Ctr Chem Sci & Engn Tianjin, Sch Mat Sci & Engn, State Key Lab, Tianjin 300071, Peoples R China.
EM xjwan@nankai.edu.cn; yschen99@nankai.edu.cn
RI Liu, Feng/J-4361-2014
OI Liu, Feng/0000-0002-5572-8512
FU MoST [2014CB643502]; NSFC [51373078, 51422304, 91433101]; PCSIRT
[IRT1257]; Tianjin city [13RCGFGX01121]; Polymer-Based Materials for
Harvesting Solar Energy (PhaSE), an Energy Frontier Research Center -
U.S. Department of Energy, Office of Basic Energy Sciences
[DE-SC0001087]
FX The authors gratefully acknowledge the financial support from MoST
(2014CB643502), NSFC (51373078, 51422304 and 91433101), PCSIRT (IRT1257)
and Tianjin city (13RCGFGX01121). TPR and FL were supported by
Polymer-Based Materials for Harvesting Solar Energy (PhaSE), an Energy
Frontier Research Center funded by the U.S. Department of Energy, Office
of Basic Energy Sciences under award number DE-SC0001087.
NR 44
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U1 14
U2 103
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 2016
VL 52
IS 3
BP 465
EP 468
DI 10.1039/c5cc07973j
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA CZ7DD
UT WOS:000367259200006
PM 26538446
ER
PT J
AU Li, WL
Liu, HT
Jian, T
Lopez, GV
Piazza, ZA
Huang, DL
Chen, TT
Su, J
Yang, P
Chen, X
Wang, LS
Li, J
AF Li, Wan-Lu
Liu, Hong-Tao
Jian, Tian
Lopez, Gary V.
Piazza, Zachary A.
Huang, Dao-Ling
Chen, Teng-Teng
Su, Jing
Yang, Ping
Chen, Xin
Wang, Lai-Sheng
Li, Jun
TI Bond-bending isomerism of Au2I3-: competition between covalent bonding
and aurophilicity
SO CHEMICAL SCIENCE
LA English
DT Article
ID TRANSITION-METAL-COMPLEXES; GENERALIZED-GRADIENT-APPROXIMATION; STRETCH
ISOMERISM; PHOTOELECTRON-SPECTROSCOPY; THEORETICAL CHEMISTRY;
BASIS-SETS; GOLD; MOLECULES; CLUSTERS; ATTRACTION
AB We report a joint photoelectron spectroscopy and theoretical investigation of the gaseous Au2I3- cluster, which is found to exhibit two types of isomers due to competition between Au-I covalent bonding and Au-Au aurophilic interactions. The covalent bonding favors a bent IAuIAuI- structure with an obtuse Au-I-Au angle (100.7 degrees), while aurophilic interactions pull the two Au atoms much closer, leading to an acutely bent structure (72.0 degrees) with an Au-Au distance of 3.08 angstrom. The two isomers are separated by a small barrier and are nearly degenerate with the obtuse isomer being slightly more stable. At low temperature, only the obtuse isomer is observed; distinct experimental evidence is observed for the coexistence of a combination of isomers with both acute and obtuse bending angles at room temperature. The two bond-bending isomers of Au2I3- reveal a unique example of one molecule being able to oscillate between different structures as a result of two competing chemical forces.
C1 [Li, Wan-Lu; Su, Jing; Chen, Xin; Li, Jun] Tsinghua Univ, Dept Chem, Beijing 100084, Peoples R China.
[Li, Wan-Lu; Su, Jing; Chen, Xin; Li, Jun] Tsinghua Univ, Key Lab Organ Optoelect & Mol Engn, Minist Educ, Beijing 100084, Peoples R China.
[Liu, Hong-Tao; Su, Jing] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China.
[Jian, Tian; Lopez, Gary V.; Piazza, Zachary A.; Huang, Dao-Ling; Chen, Teng-Teng; Wang, Lai-Sheng] Brown Univ, Dept Chem, Providence, RI 02912 USA.
[Yang, Ping] Los Alamos Natl Lab, Theoret Div T 1, Los Alamos, NM 87544 USA.
RP Wang, LS (reprint author), Brown Univ, Dept Chem, Providence, RI 02912 USA.
EM Lai-Sheng_Wang@brown.edu; junli@tsinghua.edu.cn
RI Li, Wanlu/D-9026-2016; Huang, Daoling/L-3273-2016;
OI Yang, Ping/0000-0003-4726-2860
FU U.S. National Science Foundation [CHE-1263745]; NKBRSF [2011CB932400];
NSFC of China [21433005, 21201106, 21221062]; National Nuclear Security
Administration of the U.S. DOE [DE-AC52-O6NA25396]
FX The experimental work done at Brown University was supported by the U.S.
National Science Foundation (CHE-1263745). The theoretical work done at
Tsinghua University was supported by NKBRSF (2011CB932400) and NSFC
(21433005, 21201106, and 21221062) of China. The calculations were done
using supercomputers at Tsinghua National Laboratory for Information
Science and Technology and the Molecular Science Computing capability at
EMSL, a National scientific user facility located at PNNL, operated for
the U.S. Department of Energy by Battelle. LANL is operated by Los
Alamos National Security, LLC, for the National Nuclear Security
Administration of the U.S. DOE, under contract DE-AC52-O6NA25396.
NR 77
TC 1
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U1 4
U2 22
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 2016
VL 7
IS 1
BP 475
EP 481
DI 10.1039/c5sc03568f
PG 7
WC Chemistry, Multidisciplinary
SC Chemistry
GA CZ0WL
UT WOS:000366826900056
ER
PT J
AU Hou, J
Liu, YS
Wu, Y
Zhou, N
Feng, W
AF Hou, Jing
Liu, Yisheng
Wu, Yong
Zhou, Nan
Feng, Wei
TI Comparative study of commercial building energy-efficiency retrofit
policies in four pilot cities in China
SO ENERGY POLICY
LA English
DT Article
DE Existing commercial building; Energy efficiency retrofit; Incentive
policy; Technical solution; Cost-benefit; Barrier
ID TIANJIN
AB The energy efficiency of existing commercial buildings is more challenging to regulate and improve than the energy efficiency of new constructions. In 2011 and 2012, the Chinese Government selected four cities- Shanghai, Tianjin, Shenzhen, and Chongqing- to implement pilot commercial building energy efficiency retrofit program. Based on site surveys and expert interviews in these pilot cities, this research conducted a comparative analysis on incentive policies of local city level. The analysis results show that policy designs of existing commercial buildings should be further improved. The aspects that influence the implementation effect in the future, such as subsidy level, installments, and business model promotion, should be specified in the policy clauses. Referring to the technical solution and cost-benefit in Chongqing, we found that lighting system is the most common retrofit objects while envelope system is the least common one. And the subsidy incentive is greatest for educational buildings, followed by office buildings. In the end, we further discussed the problems and obstacles in commercial building retrofit market, and provided a series of recommendations. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Hou, Jing; Liu, Yisheng] Beijing Jiaotong Univ, Beijing 100044, Peoples R China.
[Wu, Yong] Minist Housing & Urban Rural Dev, Beijing 100835, Peoples R China.
[Zhou, Nan; Feng, Wei] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Hou, J (reprint author), Beijing Jiaotong Univ, 3 Shangyuancun, Beijing 100044, Peoples R China.
EM houjing0130@gmail.com; yshliu1@bjtu.edu.cn; wuyong0715@163.com;
nzhou@lbl.gov; weifeng@lbl.gov
FU National Natural Science Foundation of China [71173011]; Ministry of
Housing and Urban-Rural Development [10401020908]; China Scholarship
Council [201407090017]
FX This work was supported by the National Natural Science Foundation of
China, and the Ministry of Housing and Urban-Rural Development under
Contracts No. 71173011 and No. 10401020908, respectively. The authors
express their gratitude for the support of the China Scholarship
Council, File No. 201407090017. Furthermore, the authors express sincere
appreciation to the government officials and industry experts from both
MOHURD and the four pilot cities for their help and contributions during
the investigation for this report.
NR 29
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U1 10
U2 28
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 2016
VL 88
BP 204
EP 215
DI 10.1016/j.enpol.2015.10.016
PG 12
WC Energy & Fuels; Environmental Sciences; Environmental Studies
SC Energy & Fuels; Environmental Sciences & Ecology
GA CZ0AE
UT WOS:000366766700020
ER
PT J
AU Chen, W
McClelland, DJ
Azarpira, A
Ralph, J
Luo, ZY
Huber, GW
AF Chen, Wen
McClelland, Daniel J.
Azarpira, Ali
Ralph, John
Luo, Zhongyang
Huber, George W.
TI Low temperature hydrogenation of pyrolytic lignin over Ru/TiO2: 2D HSQC
and C-13 NMR study of reactants and products
SO GREEN CHEMISTRY
LA English
DT Article
ID AQUEOUS-PHASE HYDROGENATION; WATER-INSOLUBLE FRACTION; BIO-OILS; BIOMASS
PYROLYSIS; CATALYTIC HYDRODEOXYGENATION; STRUCTURAL-CHARACTERIZATION;
RENEWABLE CHEMICALS; FORESTRY RESIDUE; METAL-CATALYSTS; ACETIC-ACID
AB Pyrolytic lignin and hydrogenated pyrolytic lignin were characterized by 2D H-1-C-13 HSQC and quantitative C-13 NMR techniques. The pyrolytic lignin was produced from a mixed maple wood feedstock and separated from the bio-oil by water extraction. p-Hydroxyphenyl (H), guaiacyl (G), and syringyl (S) aromatics were the basic units of pyrolytic lignin. The native lignin beta-aryl ether, phenylcoumaran and resinol structures were not present in the pyrolytic lignin. The hydrogenation was conducted with a Ru/TiO2 catalyst at temperatures ranging from 25-150 degrees C with higher temperatures exhibiting higher levels of hydrogenation. Solid coke formed on the catalyst surface (1% coke yield) even for hydrogenation at 25 degrees C. The carbon yield of pyrolytic lignin to coke increased from 1% to 5% as the hydrogenation temperature increased from 25 to 150 degrees C. A single-step hydrogenation at 150 degrees C resulted in a reduction from 65% to 39% aromatic carbons. A three-step hydrogenation scheme at this same temperature resulted in a reduction of aromatic carbons from 65% to 17%. The decrease in the aromatic carbon corresponded with an increase in the aliphatic carbon. Coke formation reduced from a 5% carbon yield of pyrolytic lignin in the first hydrogenation step to a 1% carbon yield in each of the second and third hydrogenation steps. The pyrolytic lignin could be separated into a high and low molecular weight fraction. The coke yield from the high molecular weight fraction was twice as much as that from the low molecular weight fraction.
C1 [Chen, Wen; Luo, Zhongyang] Zhejiang Univ, State Key Lab Clean Energy Utilizat, Hangzhou 310027, Zhejiang, Peoples R China.
[Chen, Wen; McClelland, Daniel J.; Huber, George W.] Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA.
[Azarpira, Ali; Ralph, John] Univ Wisconsin, Dept Biochem, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53726 USA.
[Azarpira, Ali; Ralph, John] Univ Wisconsin, Dept Biol Syst Engn, Madison, WI 53726 USA.
RP Chen, W (reprint author), Zhejiang Univ, State Key Lab Clean Energy Utilizat, Hangzhou 310027, Zhejiang, Peoples R China.
EM gwhuber@wisc.edu
FU China Scholarship Council; National Natural Science Foundation of China
[51336008]; Major State Basic Research Development Program of China
[2013CB228100]; DOE Great Lakes Bioenergy Research Center (DOE BER
Office of Science) [DE-FC02-07ER64494]
FX The authors appreciate the financial support from China Scholarship
Council. This work was also supported by the National Natural Science
Foundation of China (51336008) and the Major State Basic Research
Development Program of China (2013CB228100). JR and AA were funded by
the DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science
DE-FC02-07ER64494). The authors would like to thank the Magnetic
Resonance Facility in the Chemistry Department of the University of
Wisconsin-Madison for use of the Bruker Advance III 500 gifted by Paul
J. Bender.
NR 76
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U1 9
U2 71
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 2016
VL 18
IS 1
BP 271
EP 281
DI 10.1039/c5gc02286j
PG 11
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA CZ0YG
UT WOS:000366831800026
ER
PT J
AU Khan, AI
Chatterjee, K
Duarte, JP
Lu, ZY
Sachid, A
Khandelwal, S
Ramesh, R
Hu, CM
Salahuddin, S
AF Khan, Asif Islam
Chatterjee, Korok
Duarte, Juan Pablo
Lu, Zhongyuan
Sachid, Angada
Khandelwal, Sourabh
Ramesh, Ramamoorthy
Hu, Chenming
Salahuddin, Sayeef
TI Negative Capacitance in Short-Channel FinFETs Externally Connected to an
Epitaxial Ferroelectric Capacitor
SO IEEE ELECTRON DEVICE LETTERS
LA English
DT Article
DE Negative capacitance; ferroelectric; sub-60 mV/decade; NC-FinFET
ID ROOM-TEMPERATURE; DEVICES
AB We report subthreshold swings as low as 8.5 mV/decade over as high as eight orders of magnitude of drain current in short-channel negative capacitance FinFETs (NC-FinFETs) with gate length L-g = 100 nm. NC-FinFETs are constructed by connecting a high-quality epitaxial bismuth ferrite (BiFeO3) ferroelectric capacitor to the gate terminal of both n-type and p-type FinFETs. We show that a self-consistent simulation scheme based on Berkeley SPICE Insulated-Gate-FET Model: Common Multi Gate model and Landau-Devonshire formalism could quantitatively match the experimental NC-FinFET transfer characteristics. This also allows a general procedure to extract the effective S-shaped ferroelectric charge-voltage characteristics that provides important insights into the device operation.
C1 [Khan, Asif Islam; Chatterjee, Korok; Duarte, Juan Pablo; Lu, Zhongyuan; Sachid, Angada; Khandelwal, Sourabh; Hu, Chenming; Salahuddin, Sayeef] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA.
[Ramesh, Ramamoorthy] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Ramesh, Ramamoorthy] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Ramesh, Ramamoorthy; Salahuddin, Sayeef] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Khan, AI (reprint author), Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA.
EM asif@eecs.berkeley.edu
FU Office of Naval Research (ONR); Center for Low Energy Systems Technology
(LEAST), one of the six SRC STARnet Centers - MARCO; Center for Low
Energy Systems Technology (LEAST), one of the six SRC STARnet Centers -
DARPA; Entegris; Applied Materials under the I-Rice Center at the
University of California, Berkeley
FX This work was supported in part by the Office of Naval Research (ONR),
in part by the Center for Low Energy Systems Technology (LEAST), one of
the six SRC STARnet Centers, sponsored by MARCO and DARPA and Entegris
and Applied Materials under the I-Rice Center at the University of
California, Berkeley. The review of this letter was arranged by Editor
K. J. Kuhn. (Asif Islam Khan and Korok Chatterjee contributed equally to
this work.) (Corresponding author: Asif Islam Khan.)
NR 16
TC 12
Z9 12
U1 11
U2 45
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 0741-3106
EI 1558-0563
J9 IEEE ELECTR DEVICE L
JI IEEE Electron Device Lett.
PD JAN
PY 2016
VL 37
IS 1
BP 111
EP 114
DI 10.1109/LED.2015.2501319
PG 4
WC Engineering, Electrical & Electronic
SC Engineering
GA CZ7HO
UT WOS:000367270700030
ER
PT J
AU Skare, P
Falk, H
Rice, M
Winkel, J
AF Skare, Paul
Falk, Herbert
Rice, Mark
Winkel, Jens
TI In the Face of Cybersecurity How the Common Information Model can be
used
SO IEEE POWER & ENERGY MAGAZINE
LA English
DT Article
C1 [Skare, Paul; Rice, Mark] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Falk, Herbert] Syst Integrat Specialists Co Inc SISCO, Sterling Hts, MI USA.
[Winkel, Jens] Alstom Co, UISOL, Redmond, WA USA.
RP Skare, P (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
NR 0
TC 1
Z9 1
U1 0
U2 6
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 1540-7977
EI 1558-4216
J9 IEEE POWER ENERGY M
JI IEEE Power Energy Mag.
PD JAN-FEB
PY 2016
VL 14
IS 1
BP 94
EP 104
DI 10.1109/MPE.2015.2485899
PG 11
WC Engineering, Electrical & Electronic
SC Engineering
GA CZ7GG
UT WOS:000367267300011
ER
PT J
AU Darbos, C
Albajar, F
Bonicelli, T
Carannante, G
Cavinato, M
Cismondi, F
Denisov, G
Farina, D
Gagliardi, M
Gandini, F
Gassmann, T
Goodman, T
Hanson, G
Henderson, MA
Kajiwara, K
McElhaney, K
Nousiainen, R
Oda, Y
Omori, T
Oustinov, A
Parmar, D
Popov, VL
Purohit, D
Rao, SL
Rasmussen, D
Rathod, V
Ronden, DMS
Saibene, G
Sakamoto, K
Sartori, F
Scherer, T
Singh, NP
Strauss, D
Takahashi, K
AF Darbos, Caroline
Albajar, Ferran
Bonicelli, Tullio
Carannante, Giuseppe
Cavinato, Mario
Cismondi, Fabio
Denisov, Grigory
Farina, Daniela
Gagliardi, Mario
Gandini, Franco
Gassmann, Thibault
Goodman, Timothy
Hanson, Gregory
Henderson, Mark A.
Kajiwara, Ken
McElhaney, Karen
Nousiainen, Risto
Oda, Yasuhisa
Omori, Toshimichi
Oustinov, Alexander
Parmar, Darshankumar
Popov, Vladimir L.
Purohit, Dharmesh
Rao, Shambhu Laxmikanth
Rasmussen, David
Rathod, Vipal
Ronden, Dennis M. S.
Saibene, Gabriella
Sakamoto, Keishi
Sartori, Filippo
Scherer, Theo
Singh, Narinder Pal
Strauss, Dirk
Takahashi, Koji
TI Status of the ITER Electron Cyclotron Heating and Current Drive System
SO JOURNAL OF INFRARED MILLIMETER AND TERAHERTZ WAVES
LA English
DT Article
DE ITER electron cyclotron heating current drive
AB The electron cyclotron (EC) heating and current drive (H&CD) system developed for the ITER is made of 12 sets of high-voltage power supplies feeding 24 gyrotrons connected through 24 transmission lines (TL), to five launchers, four located in upper ports and one at the equatorial level. Nearly all procurements are in-kind, following general ITER philosophy, and will come from Europe, India, Japan, Russia and the USA. The full system is designed to couple to the plasma 20 MW among the 24 MW generated power, at the frequency of 170 GHz, for various physics applications such as plasma start-up, central H&CD and magnetohydrodynamic (MHD) activity control. The design takes present day technology and extends toward high-power continuous operation, which represents a large step forward as compared to the present state of the art. The ITER EC system will be a stepping stone to future EC systems for DEMO and beyond.
The development of the EC system is facing significant challenges, which includes not only an advanced microwave system but also compliance with stringent requirements associated with nuclear safety as ITER became the first fusion device licensed as basic nuclear installations as of 9 November 2012.
Since the conceptual design of the EC system was established in 2007, the EC system has progressed to a preliminary design stage in 2012 and is now moving forward toward a final design.
C1 [Darbos, Caroline; Gandini, Franco; Gassmann, Thibault; Henderson, Mark A.; Omori, Toshimichi; Purohit, Dharmesh] ITER Org, F-13067 St Paul Les Durance, France.
[Albajar, Ferran; Bonicelli, Tullio; Carannante, Giuseppe; Cavinato, Mario; Cismondi, Fabio; Gagliardi, Mario; Nousiainen, Risto; Saibene, Gabriella; Sartori, Filippo] Fus Energy, Barcelona 08019, Spain.
[Denisov, Grigory; Oustinov, Alexander; Popov, Vladimir L.] Russian Acad Sci, Inst Appl Phys, Nizhny 603950, Novgorod, Russia.
[Farina, Daniela] EURATOM, ENEA, CNR, Ist Fis Plasma, I-20133 Milan, Italy.
[Goodman, Timothy] EPFL Ecublens, Assoc EURATOM Confederat Suisse, CRPP, CH-1015 Lausanne, Switzerland.
[Hanson, Gregory; McElhaney, Karen; Rasmussen, David] ORNL, US ITER Project Off, Oak Ridge, TN 37831 USA.
[Kajiwara, Ken; Oda, Yasuhisa; Sakamoto, Keishi; Takahashi, Koji] Japan Atom Energy Agcy, Naka, Ibaraki 3110193, Japan.
[Parmar, Darshankumar; Rao, Shambhu Laxmikanth; Rathod, Vipal; Singh, Narinder Pal] Inst Plasma Res, Bhat 382428, Gandhinagar, India.
[Ronden, Dennis M. S.] FOM Inst DIFFER, NL-3430 BE Nieuwegein, Netherlands.
[Scherer, Theo; Strauss, Dirk] EURATOM, KIT, IMF, D-76021 Karlsruhe, Germany.
RP Darbos, C (reprint author), ITER Org, Route Vinon Sur Verdon,CS 90 046, F-13067 St Paul Les Durance, France.
EM caroline.darbos@iter.org
NR 9
TC 2
Z9 2
U1 6
U2 9
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1866-6892
EI 1866-6906
J9 J INFRARED MILLIM TE
JI J. Infrared Millim. Terahertz Waves
PD JAN
PY 2016
VL 37
IS 1
SI SI
BP 4
EP 20
DI 10.1007/s10762-015-0211-3
PG 17
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA CZ6GD
UT WOS:000367198300002
ER
PT J
AU Lohr, J
Anderson, J
Brambila, R
Cengher, M
Chen, X
Ellis, RA
Grosnickle, W
Moeller, C
Prater, R
Ponce, D
Riford, L
Torrezan, AC
AF Lohr, J.
Anderson, J.
Brambila, R.
Cengher, M.
Chen, X.
Ellis, R. A.
Grosnickle, W.
Moeller, C.
Prater, R.
Ponce, D.
Riford, L.
Torrezan, A. C.
TI The Multiple Gyrotron System on the DIII-D Tokamak
SO JOURNAL OF INFRARED MILLIMETER AND TERAHERTZ WAVES
LA English
DT Article
DE Gyrotron; Plasma heating; Tokamaks
AB A major component of the versatile heating systems on the DIII-D tokamak is the gyrotron complex. This system routinely operates at 110 GHz with 4.7 MW-generated rf power for electron cyclotron heating and current drive. The complex is being upgraded with the addition of new depressed collector potential gyrotrons operating at 117.5 GHz and generating rf power in excess of 1.0 MW each. The long-term upgrade plan calls for 10 gyrotrons at the higher frequency being phased in as resources permit, for an injected power near 10 MW. This paper presents a summary of the current status of the DIII-D gyrotron complex, its performance, individual components, testing procedures, operational parameters, plans, and a brief summary of the experiments for which the system is currently being used.
C1 [Lohr, J.; Anderson, J.; Brambila, R.; Cengher, M.; Chen, X.; Grosnickle, W.; Moeller, C.; Prater, R.; Ponce, D.; Torrezan, A. C.] Gen Atom, San Diego, CA 92186 USA.
[Ellis, R. A.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[Riford, L.] Lehigh Univ, Bethlehem, PA 18015 USA.
RP Lohr, J (reprint author), Gen Atom, POB 85608, San Diego, CA 92186 USA.
EM lohr@fusion.gat.com
FU US Department of Energy [DE-FC02-04ER54698, DE-AC02-09CH11466]
FX This work was supported in part by the US Department of Energy under
DE-FC02-04ER54698 and DE-AC02-09CH11466.
NR 13
TC 0
Z9 0
U1 1
U2 5
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1866-6892
EI 1866-6906
J9 J INFRARED MILLIM TE
JI J. Infrared Millim. Terahertz Waves
PD JAN
PY 2016
VL 37
IS 1
SI SI
BP 21
EP 44
DI 10.1007/s10762-015-0201-5
PG 24
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA CZ6GD
UT WOS:000367198300003
ER
PT J
AU Schaub, SC
Shapiro, MA
Temkin, RJ
Hanson, GR
AF Schaub, S. C.
Shapiro, M. A.
Temkin, R. J.
Hanson, G. R.
TI Mode Conversion Losses in Expansion Units for ITER ECH Transmission
Lines
SO JOURNAL OF INFRARED MILLIMETER AND TERAHERTZ WAVES
LA English
DT Article
DE ITER; Electron cyclotron heating; Transmission line; Gyrotron
ID WAVE-GUIDE; SCATTERING; SYSTEM
AB The ITER electron cyclotron heating transmission lines will consist of 63.5-mm-diameter corrugated waveguides, each carrying 1 MW of 170 GHz microwaves. These transmission lines must include expansion units to accommodate expansion and contraction along the path from the gyrotron microwave sources to the tokamak. A numerical mode matching code has been developed to calculate power losses due to mode conversion of the operating mode, HE11, to higher order modes as a result of the radial discontinuities in a sliding joint. Two expansion unit designs were evaluated, a simple gap expansion unit and a more complex tapered expansion unit. The gap expansion unit demonstrated loss that oscillated rapidly with expansion length, due to trapped modes within the unit. The tapered expansion unit has been shown to effectively suppress these trapped modes at the expense of increased fabrication complexity. In a gap expansion unit, for a waveguide step size of 2.5 mm, loss can be kept below 0.1 % to a maximum expansion length of 17 mm. Expansion units without corrugation on interior walls were also evaluated. Expansion units that lack corrugations are found to increase mode trapping within the units, though not beyond useful application. The mode matching code developed in this paper was also used to estimate mode conversion loss in vacuum pumpouts for the ECH lines; the estimated loss was found to be negligibly small.
C1 [Schaub, S. C.; Shapiro, M. A.; Temkin, R. J.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA.
[Hanson, G. R.] Oak Ridge Natl Lab, US ITER Project, Oak Ridge, TN 37831 USA.
RP Schaub, SC (reprint author), MIT, Plasma Sci & Fus Ctr, 167 Albany St,Bldg NW16, Cambridge, MA 02139 USA.
EM sschaub@mit.edu
OI Schaub, Samuel/0000-0002-7569-6167
FU U.S. Department of Energy, Office of Fusion Energy Sciences; U.S. ITER
Project
FX This research was supported by the U.S. Department of Energy, Office of
Fusion Energy Sciences and by the U.S. ITER Project managed by Battelle
/ Oak Ridge National Laboratory.
NR 25
TC 1
Z9 1
U1 1
U2 3
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1866-6892
EI 1866-6906
J9 J INFRARED MILLIM TE
JI J. Infrared Millim. Terahertz Waves
PD JAN
PY 2016
VL 37
IS 1
SI SI
BP 72
EP 86
DI 10.1007/s10762-015-0190-4
PG 15
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA CZ6GD
UT WOS:000367198300006
ER
PT J
AU Qiu, Y
Huo, JJ
Jia, F
Shanks, BH
Li, WZ
AF Qiu, Yang
Huo, Jiajie
Jia, Fan
Shanks, Brent. H.
Li, Wenzhen
TI N- and S-doped mesoporous carbon as metal-free cathode catalysts for
direct biorenewable alcohol fuel cells
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID OXYGEN REDUCTION REACTION; HIGH ELECTROCATALYTIC ACTIVITY;
ANION-EXCHANGE MEMBRANES; POROUS CARBON; NITROGEN; SULFUR; ALKALINE;
GRAPHENE; NANOPARTICLES; PERFORMANCE
AB Nitrogen and sulfur were simultaneously doped into the framework of mesoporous CMK-3 as metal-free catalysts for direct biorenewable alcohol fuel cells. Glucose, NH3, and thiophene were used as carbon, nitrogen and sulfur precursors, respectively, to prepare mesoporous N-S-CMK-3 with uniform mesopores and extra macropores, resulting in good O-2 diffusion both in half cell and alcohol fuel cell investigations. Among all investigated CMK-3 based catalysts, N-S-CMK-3 prepared at 800 degrees C exhibited the highest ORR activity with the onset potential of 0.92 V vs. RHE, Tafel slope of 68 mV dec(-1), and 3.96 electron transfer number per oxygen molecule in 0.1 M KOH. The alkaline membrane-based direct alcohol fuel cell (DAFC) with N-S-CMK-3 cathode displayed 88.2 mW cm(-2) peak power density without obvious O-2 diffusion issue, reaching 84% initial performance of that with a Pt/C cathode. The high catalyst durability and fuel-crossover tolerance led to stable performance of the N-S-CMK-3 cathode DAFC with 90.6 mW cm(-2) peak power density after 2 h operation, while the Pt/C cathode-based DAFC lost 36.9% of its peak power density. The high ORR activity of N-S-CMK-3 can be attributed to the synergistic effect between graphitic-N and S (C-S-C structure), suggesting great potential to use N-S-CMK-3 as an alternative to noble metal catalysts in the fuel cell cathode.
C1 [Qiu, Yang; Huo, Jiajie; Jia, Fan; Shanks, Brent. H.; Li, Wenzhen] Iowa State Univ, Biorenewables Res Lab, Chem & Biol Engn, Ames, IA 50011 USA.
[Li, Wenzhen] Ames Lab, US DOE, Ames, IA 50011 USA.
RP Li, WZ (reprint author), Iowa State Univ, Biorenewables Res Lab, Chem & Biol Engn, Ames, IA 50011 USA.
EM wzli@iastate.edu
FU NSF-CBET [1501113]; ISU; Ames Lab Startup Fund
FX We acknowledge financial support from NSF-CBET 1501113 and ISU and Ames
Lab Startup Funds, and are grateful to Dr Dapeng Jing and James Anderegg
for XPS characterization on CMK-3 materials and Dr Le Xin for fruitful
discussion. W. Li thanks his Richard Seagrave Professorship support.
NR 53
TC 5
Z9 5
U1 24
U2 107
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
EI 2050-7496
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2016
VL 4
IS 1
BP 83
EP 95
DI 10.1039/c5ta06039g
PG 13
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA CZ0VX
UT WOS:000366825300007
ER
PT J
AU Lawrence, DW
Tran, C
Mallajoysula, AT
Doorn, SK
Mohite, A
Gupta, G
Kalra, V
AF Lawrence, Daniel W.
Tran, Chau
Mallajoysula, Arun T.
Doorn, Stephen K.
Mohite, Aditya
Gupta, Gautam
Kalra, Vibha
TI High-energy density nanofiber-based solid-state supercapacitors
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID POROUS CARBON NANOFIBERS; GEL POLYMER ELECTROLYTE; GRAPHENE; NANOTUBES
AB We have developed binder-free solid-state electric double layer supercapacitors using freestanding porous carbon nanofiber electrodes fabricated using electrospinning and silica-based ionic liquid gel electrolytes. To ensure close electrode/electrolyte contact and efficient transport of ions for high power operation, we fabricated our electrodes by uniformly filling freestanding samples of porous carbon nanofiber mats with a blend of silica sol-gel precursor and ionic liquid electrolyte, which were then appropriately dried/gelled to form all-solid supercapacitors. Two different carbon nanofiber samples have been investigated with high specific surface areas of 1218 m(2) g(-1) and 2282 m(2) g(-1). The resulting solid-state supercapacitor can operate in a large voltage window of 3.5 V. We achieved specific capacitance (C-sp) and specific energy (E-cell, based on the mass of the two electrodes) of up to 144 F g(-1) and 61 W h kg(-1) respectively, rivaling that of lead-acid batteries, with a high active material (carbon only) loading of 3-5 mg cm(-2).
C1 [Lawrence, Daniel W.; Tran, Chau; Kalra, Vibha] Drexel Univ, Dept Chem & Biol Engn, Philadelphia, PA 19104 USA.
[Mallajoysula, Arun T.; Doorn, Stephen K.; Mohite, Aditya; Gupta, Gautam] Los Alamos Natl Lab, Mat Phys & Applicat 11, Los Alamos, NM 87545 USA.
RP Kalra, V (reprint author), Drexel Univ, Dept Chem & Biol Engn, 3141 Chestnut St, Philadelphia, PA 19104 USA.
EM gautam@lanl.gov; vk99@drexel.edu
FU National Science Foundation [CBET-1150528, CBET-1236466]; Los Alamos
National Lab LDRD program
FX This work is supported by the National Science Foundation under grant
numbers CBET-1150528, CBET-1236466 and the Los Alamos National Lab LDRD
program. Authors would like to thank Richa Singhal for SEM/EDS imaging.
The authors are grateful to Centralized Research Facility of Drexel
University for instrumentation support.
NR 26
TC 7
Z9 7
U1 39
U2 129
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
EI 2050-7496
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2016
VL 4
IS 1
BP 160
EP 166
DI 10.1039/c5ta05552k
PG 7
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA CZ0VX
UT WOS:000366825300015
ER
PT J
AU Manuel, JM
Koch, CT
Ozdol, VB
Sigle, W
Van Aken, PA
Garcia, R
Morales, FM
AF Manuel, J. M.
Koch, C. T.
Oezdoel, V. B.
Sigle, W.
Van Aken, P. A.
Garcia, R.
Morales, F. M.
TI Inline electron holography and VEELS for the measurement of strain in
ternary and quaternary (In,Al,Ga)N alloyed thin films and its effect on
bandgap energy
SO JOURNAL OF MICROSCOPY
LA English
DT Article
DE Dark-field inline holography; InAlGaN; nitride bandgap; strain; TEM;
VEELS
ID MICROSCOPE IMAGES; LOSS SPECTROSCOPY; GAN; DIFFRACTION; RESOLUTION;
PHASE; DEVICES; LAYERS; SPACE; SI
AB We present the use of (1) dark-field inline electron holography for measuring the structural strain, and indirectly obtaining the composition, in a wurtzite, 4-nm-thick InAlGaN epilayer on a AlN/GaN/AlN/GaN multinano-layer heterosystem, and (2) valence electron energy-loss spectroscopy to study the bandgap value of five different, also hexagonal, 20-50-nm-thick InAlGaN layers. The measured strain values were almost identical to the ones obtained by other techniques for similarly grown materials. We found that the biaxial strain in the III-N alloys lowers the bandgap energy as compared to the value calculated with different known expressions and bowing parameters for unstrained layers. By contrast, calculated and experimental values agreed in the case of lattice-matched (almost unstrained) heterostructures.
C1 [Manuel, J. M.; Garcia, R.; Morales, F. M.] Univ Cadiz, IMEYMAT Inst Res Electron Microscopy & Mat, Cadiz, Spain.
[Koch, C. T.] Humboldt Univ, Dept Phys, Berlin, Germany.
[Oezdoel, V. B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA.
[Sigle, W.; Van Aken, P. A.] Max Planck Inst Solid State Res, Stuttgart Ctr Electron Microscopy, Stuttgart, Germany.
RP Morales, FM (reprint author), Univ Cadiz, IMEYMAT Inst Res Electron Microscopy & Mat, Cadiz, Spain.
EM fmiguel.morales@uca.es
RI Koch, Christoph/E-9689-2011;
OI Koch, Christoph/0000-0002-3984-1523; Morales, Francisco
Miguel/0000-0002-8341-2478
FU European Union Seventh Framework Programme [312483]; Consejeria de
Economia, Innovacion, Ciencia y Empleo of Junta de Andalucia, through
the Excellency Projects [TEP3516, TEP5403]; Carl-Zeiss Foundation
FX The support of the following institutions is acknowledged: The research
leading to these results received funding from the European Union
Seventh Framework Programme [FP7/2007-2013] under grant agreement
No312483 (ESTEEM2). The Consejeria de Economia, Innovacion, Ciencia y
Empleo of Junta de Andalucia, through the Excellency Projects with code
TEP3516 and TEP5403, and through the Incentivos a los Agentes del
Sistema Andaluz de Conocimiento Programme (2008-2013). The University of
Cadiz, through its Plan Propio (2008-2011) and its central facilities
SCCYT. C.T.K. acknowledges the Carl-Zeiss Foundation for financial
support. Dr Manuel would like to thank U. Salzberger for her technical
assistance and Dr T. Ben for valuable discussions.
NR 49
TC 2
Z9 2
U1 4
U2 14
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 2016
VL 261
IS 1
BP 27
EP 35
DI 10.1111/jmi.12312
PG 9
WC Microscopy
SC Microscopy
GA CZ4RU
UT WOS:000367091200003
ER
PT J
AU Wang, SN
Luo, B
Shi, WS
Tiwari, D
AF Wang, Shinan
Luo, Bing
Shi, Weisong
Tiwari, Devesh
TI Application configuration selection for energy-efficient execution on
multicore systems
SO JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING
LA English
DT Article
DE Energy consumption; High performance computing; Speedup model; Power
model; Parallel
ID POWER MANAGEMENT; PERFORMANCE
AB Modern computer systems are designed to balance performance and energy consumption. Several runtime factors, such as concurrency levels, thread mapping strategies, and dynamic voltage and frequency scaling (DVFS) should be considered in order to achieve optimal energy efficiency fora workload. Selecting appropriate run-time factors, however, is one of the most challenging tasks because the run-time factors are architecture-specific and workload-specific.
While most existing works concentrate on either static analysis of the workload or run-time prediction results, in this paper, we present a hybrid two-step method that utilizes concurrency levels and DVFS settings to achieve the energy efficiency configuration for a worldoad. The experimental results based on a Xeon E5620 server with NPB and PARSEC benchmark suites show that the model is able to predict the energy efficient configuration accurately. On average, an additional 10% EDP (Energy Delay Product) saving is obtained by using run-time DVFS for the entire system. An off-line optimal solution is used to compare with the proposed scheme. The experimental results show that the average extra EDP saved by the optimal solution is within 5% on selective parallel benchmarks. (C) 2015 Elsevier Inc. All rights reserved.
C1 [Wang, Shinan; Luo, Bing; Shi, Weisong] Wayne State Univ, Dept Comp Sci, Detroit, MI 48202 USA.
[Tiwari, Devesh] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Luo, B (reprint author), Wayne State Univ, Dept Comp Sci, Detroit, MI 48202 USA.
EM ez3716@wayne.edu; ez6913@wayne.edu; weisong@wayne.edu; tiwari@ornl.gov
FU National Science Foundation [CNS-1205338]; National Science Foundation;
US DOE [DE-AC05-00OR22725]
FX This work was in part supported by National Science Foundation grant
CNS-1205338. This material was based upon work supporting while serving
at the National Science Foundation. This work in-part used the resources
provided by the Oak Ridge Leadership Computing Facility at the Oak Ridge
National Laboratory, which is managed by UT Battelle, LLC for the US DOE
(under Contract No. DE-AC05-00OR22725).
NR 42
TC 3
Z9 3
U1 1
U2 5
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0743-7315
EI 1096-0848
J9 J PARALLEL DISTR COM
JI J. Parallel Distrib. Comput.
PD JAN
PY 2016
VL 87
BP 43
EP 54
DI 10.1016/j.jpdc.2015.09.003
PG 12
WC Computer Science, Theory & Methods
SC Computer Science
GA CZ3UA
UT WOS:000367028300004
ER
PT J
AU Li, H
Stoddard, MB
Wang, SY
Giorgi, EE
Blair, LM
Learn, GH
Hahn, BH
Alter, HJ
Busch, MP
Fierer, DS
Ribeiro, RM
Perelson, AS
Bhattacharya, T
Shaw, GM
AF Li, Hui
Stoddard, Mark B.
Wang, Shuyi
Giorgi, Elena E.
Blair, Lily M.
Learn, Gerald H.
Hahn, Beatrice H.
Alter, Harvey J.
Busch, Michael P.
Fierer, Daniel S.
Ribeiro, Ruy M.
Perelson, Alan S.
Bhattacharya, Tanmoy
Shaw, George M.
TI Single-Genome Sequencing of Hepatitis C Virus in Donor-Recipient Pairs
Distinguishes Modes and Models of Virus Transmission and Early
Diversification
SO JOURNAL OF VIROLOGY
LA English
DT Article
ID ADAPTIVE IMMUNE-RESPONSES; HIV-1 VACCINE EFFICACY; HCV INFECTION;
TRANSMITTED/FOUNDER VIRUSES; SEXUAL TRANSMISSION; FOUNDER VIRUS;
UNITED-STATES; EVOLUTION; REPLICATION; SELECTION
AB Despite the recent development of highly effective anti-hepatitis C virus (HCV) drugs, the global burden of this pathogen remains immense. Control or eradication of HCV will likely require the broad application of antiviral drugs and development of an effective vaccine. A precise molecular identification of transmitted/founder (T/F) HCV genomes that lead to productive clinical infection could play a critical role in vaccine research, as it has for HIV-1. However, the replication schema of these two RNA viruses differ substantially, as do viral responses to innate and adaptive host defenses. These differences raise questions as to the certainty of T/F HCV genome inferences, particularly in cases where multiple closely related sequence lineages have been observed. To clarify these issues and distinguish between competing models of early HCV diversification, we examined seven cases of acute HCV infection in humans and chimpanzees, including three examples of virus transmission between linked donors and recipients. Using single-genome sequencing (SGS) of plasma vRNA, we found that inferred T/F sequences in recipients were identical to viral sequences in their respective donors. Early in infection, HCV genomes generally evolved according to a simple model of random evolution where the coalescent corresponded to the T/F sequence. Closely related sequence lineages could be explained by high multiplicity infection from a donor whose viral sequences had undergone a pretransmission bottleneck due to treatment, immune selection, or recent infection. These findings validate SGS, together with mathematical modeling and phylogenetic analysis, as a novel strategy to infer T/F HCV genome sequences.
C1 [Li, Hui; Stoddard, Mark B.; Wang, Shuyi; Learn, Gerald H.; Hahn, Beatrice H.; Shaw, George M.] Univ Penn, Dept Med, Philadelphia, PA 19104 USA.
[Li, Hui; Stoddard, Mark B.; Wang, Shuyi; Learn, Gerald H.; Hahn, Beatrice H.; Shaw, George M.] Univ Penn, Dept Microbiol, Philadelphia, PA 19104 USA.
[Giorgi, Elena E.; Blair, Lily M.; Ribeiro, Ruy M.; Bhattacharya, Tanmoy] Los Alamos Natl Lab, T Div, Los Alamos, NM USA.
[Blair, Lily M.] Stanford Univ, Dept Biol, Stanford, CA 94305 USA.
[Alter, Harvey J.] NIH, Dept Transfus Med, Bethesda, MD 20892 USA.
[Busch, Michael P.] Univ Calif San Francisco, Blood Syst Res Inst, San Francisco, CA 94143 USA.
[Fierer, Daniel S.] Icahn Sch Med Mt Sinai, Div Infect Dis, New York, NY 10029 USA.
[Perelson, Alan S.] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM USA.
[Bhattacharya, Tanmoy] Santa Fe Inst, Santa Fe, NM 87501 USA.
RP Shaw, GM (reprint author), Univ Penn, Dept Med, Philadelphia, PA 19104 USA.
EM shawg@upenn.edu
OI Bhattacharya, Tanmoy/0000-0002-1060-652X; Ribeiro,
Ruy/0000-0002-3988-8241
FU HHS \ National Institutes of Health (NIH) [AI106000, AI02433, OD011095,
AI078881]; University of Pennsylvania (Penn) [P30 AI 045008]
FX HHS vertical bar National Institutes of Health (NIH) provided funding to
George M. Shaw under grant number AI106000. HHS vertical bar National
Institutes of Health (NIH) provided funding to Alan Perelson under grant
number AI02433. HHS vertical bar National Institutes of Health (NIH)
provided funding to Alan Perelson under grant number OD011095. HHS
vertical bar National Institutes of Health (NIH) provided finding to
Alan Perelson under grant number AI078881. University of Pennsylvania
(Penn) provided funding to George M. Shaw under grant number P30 AI
045008.
NR 77
TC 3
Z9 3
U1 1
U2 5
PU AMER SOC MICROBIOLOGY
PI WASHINGTON
PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA
SN 0022-538X
EI 1098-5514
J9 J VIROL
JI J. Virol.
PD JAN
PY 2016
VL 90
IS 1
BP 152
EP 166
DI 10.1128/JVI.02156-15
PG 15
WC Virology
SC Virology
GA CZ1XK
UT WOS:000366899000015
ER
PT J
AU Kosowatz, J
McNerney, J
AF Kosowatz, John
McNerney, Jerry
TI JERRY McNERNEY
SO MECHANICAL ENGINEERING
LA English
DT Editorial Material
C1 [McNerney, Jerry] Sandia Natl Labs, Livermore, CA 94550 USA.
[McNerney, Jerry] US Windpower, Austin, TX USA.
[McNerney, Jerry] Kenetech, San Francisco, CA USA.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU ASME
PI NEW YORK
PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA
SN 0025-6501
EI 1943-5649
J9 MECH ENG
JI Mech. Eng.
PD JAN
PY 2016
VL 138
IS 1
BP 18
EP 18
PG 1
WC Engineering, Mechanical
SC Engineering
GA CZ6JF
UT WOS:000367206500011
ER
PT J
AU Mueller, RC
Gallegos-Graves, L
Zak, DR
Kuske, CR
AF Mueller, Rebecca C.
Gallegos-Graves, Laverne
Zak, Donald R.
Kuske, Cheryl R.
TI Assembly of Active Bacterial and Fungal Communities Along a Natural
Environmental Gradient
SO MICROBIAL ECOLOGY
LA English
DT Article
DE Biodiversity; Community assembly; Dormancy; Microbial activity;
Phylogenetic clustering; rRNA
ID RIBOSOMAL-RNA GENES; PHYLOGENETIC STRUCTURE; MICROBIAL COMMUNITIES; SOIL
BACTERIAL; MECHANISMS; DIVERSITY; DORMANCY; ECOLOGY; TREE; RESUSCITATION
AB Dormancy is thought to promote biodiversity within microbial communities, but how assembly of the active community responds to changes in environmental conditions is unclear. To measure the active and dormant communities of bacteria and fungi colonizing decomposing litter in maple forests, we targeted ribosomal genes and transcripts across a natural environmental gradient. Within bacterial and fungal communities, the active and dormant communities were phylogenetically distinct, but patterns of phylogenetic clustering varied. For bacteria, active communities were significantly more clustered than dormant communities, while the reverse was found for fungi. The proportion of operational taxonomic units (OTUs) classified as active and the degree of phylogenetic clustering of the active bacterial communities declined with increasing pH and decreasing C/N. No significant correlations were found for the fungal community. The opposing pattern of phylogenetic clustering in dormant and active communities and the differential response of active communities to environmental gradients suggest that dormancy differentially structures bacterial and fungal communities.
C1 [Mueller, Rebecca C.; Gallegos-Graves, Laverne; Kuske, Cheryl R.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA.
[Zak, Donald R.] Sch Nat Resources & Environm, Ann Arbor, MI 48109 USA.
RP Mueller, RC (reprint author), Los Alamos Natl Lab, Biosci Div, M888, Los Alamos, NM 87545 USA.
EM beckymueller@gmail.com
FU Department of Energy Biological and Environmental Research program; Los
Alamos National Laborarory LDRD program; National Science Foundation
Long-Term Ecological Research program
FX We thank Zachary Freedman and Sarah Eisenlord for sample collection,
John Dunbar, Blaire Steven, and Cedar Hesse for helpful discussions, and
two anonymous reviewers whose comments and suggestions greatly improved
the manuscript. Funding for this study came from the Department of
Energy Biological and Environmental Research program, the Los Alamos
National Laborarory LDRD program and the National Science Foundation
Long-Term Ecological Research program. This is LANL unclassified report
LA-UR-14-25588.
NR 59
TC 1
Z9 1
U1 12
U2 45
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0095-3628
EI 1432-184X
J9 MICROB ECOL
JI Microb. Ecol.
PD JAN
PY 2016
VL 71
IS 1
BP 57
EP 67
DI 10.1007/s00248-015-0655-y
PG 11
WC Ecology; Marine & Freshwater Biology; Microbiology
SC Environmental Sciences & Ecology; Marine & Freshwater Biology;
Microbiology
GA CZ4UF
UT WOS:000367097500007
PM 26280745
ER
PT J
AU Guibert, LM
Loviso, CL
Borglin, S
Jansson, JK
Dionisi, HM
Lozada, M
AF Guibert, Lilian M.
Loviso, Claudia L.
Borglin, Sharon
Jansson, Janet K.
Dionisi, Hebe M.
Lozada, Mariana
TI Diverse Bacterial Groups Contribute to the Alkane Degradation Potential
of Chronically Polluted Subantarctic Coastal Sediments
SO MICROBIAL ECOLOGY
LA English
DT Article
DE Alkane monooxygenase; Coastal sediments; Bacteroidetes; Actinomycetes;
Planctomycetes; Metagenomics
ID HORIZON OIL-SPILL; HYDROXYLASE GENES; ALCANIVORAX-BORKUMENSIS;
METAGENOMICS REVEALS; MARINE-SEDIMENTS; GENOME SEQUENCE; CRUDE-OIL;
N-ALKANES; NORTH-SEA; ARGENTINA
AB We aimed to gain insight into the alkane degradation potential of microbial communities from chronically polluted sediments of a subantarctic coastal environment using a combination of metagenomic approaches. A total of 6178 sequences annotated as alkane-1-monooxygenases (EC 1.14.15.3) were retrieved from a shotgun metagenomic dataset that included two sites analyzed in triplicate. The majority of the sequences binned with AlkB described in Bacteroidetes (32 +/- 13 %) or Proteobacteria (29 +/- 7 %), although a large proportion remained unclassified at the phylum level. Operational taxonomic unit (OTU)-based analyses showed small differences in AlkB distribution among samples that could be correlated with alkane concentrations, as well as with site-specific variations in pH and salinity. A number of low-abundance OTUs, mostly affiliated with Actinobacterial sequences, were found to be only present in the most contaminated samples. On the other hand, the molecular screening of a large-insert metagenomic library of intertidal sediments from one of the sampling sites identified two genomic fragments containing novel alkB gene sequences, as well as various contiguous genes related to lipid metabolism. Both genomic fragments were affiliated with the phylum Planctomycetes, and one could be further assigned to the genus Rhodopirellula due to the presence of a partial sequence of the 23S ribosomal RNA (rRNA) gene. This work highlights the diversity of bacterial groups contributing to the alkane degradation potential and reveals patterns of functional diversity in relation with environmental stressors in a chronically polluted, high-latitude coastal environment. In addition, alkane biodegradation genes are described for the first time in members of Planctomycetes.
C1 [Guibert, Lilian M.; Loviso, Claudia L.; Dionisi, Hebe M.; Lozada, Mariana] CENPAT CONICET, Ctr Estudio Sistemas Marinos, Lab Microbiol Ambiental, CESIMAR, Puerto Madryn, Chubut Province, Argentina.
[Borglin, Sharon] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Geosci Div, Berkeley, CA 94720 USA.
[Jansson, Janet K.] Pacific NW Natl Lab, Earth & Biol Sci Directorate, Richland, WA 99352 USA.
RP Lozada, M (reprint author), CENPAT CONICET, Ctr Estudio Sistemas Marinos, Lab Microbiol Ambiental, CESIMAR, Blvd Brown 2915,U9120ACD Puerto Madryn, Puerto Madryn, Chubut Province, Argentina.
EM lozada@cenpat-conicet.gob.ar
RI Borglin, Sharon/I-1013-2016
FU Argentinean National Research Council (CONICET); CONICET; National
Agency for the Promotion of Science and Technology (ANPCyT, Argentina);
Pacific Northwest National Laboratory [DE-AC05-76RL01830]; US Department
of Energy Joint Genome Institute (JGI), a DOE Office of Science User
Facility [CSP 328, DE-AC02-05CH11231]
FX At the time of this study, LMG and CLL were recipients of a graduate
student fellowship from the Argentinean National Research Council
(CONICET). ML and HMD are staff members from CONICET. This work was
funded by grants from CONICET, the National Agency for the Promotion of
Science and Technology (ANPCyT, Argentina) and by the Pacific Northwest
National Laboratory under contract number DE-AC05-76RL01830. Shotgun
sequencing and annotation were conducted through the Community
Sequencing Program (CSP 328) of the US Department of Energy Joint Genome
Institute (JGI), a DOE Office of Science User Facility under Contract
No. DE-AC02-05CH11231. We would like to thank Ricardo Vera and Horacio
Ocariz for their help in sample collection.
NR 69
TC 2
Z9 2
U1 2
U2 24
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0095-3628
EI 1432-184X
J9 MICROB ECOL
JI Microb. Ecol.
PD JAN
PY 2016
VL 71
IS 1
BP 100
EP 112
DI 10.1007/s00248-015-0698-0
PG 13
WC Ecology; Marine & Freshwater Biology; Microbiology
SC Environmental Sciences & Ecology; Marine & Freshwater Biology;
Microbiology
GA CZ4UF
UT WOS:000367097500011
PM 26547568
ER
PT J
AU Lolla, D
Gorse, J
Kisielowski, C
Miao, JY
Taylor, PL
Chase, GG
Reneker, DH
AF Lolla, Dinesh
Gorse, Joseph
Kisielowski, Christian
Miao, Jiayuan
Taylor, Philip L.
Chase, George G.
Reneker, Darrell H.
TI Polyvinylidene fluoride molecules in nanofibers, imaged at atomic scale
by aberration corrected electron microscopy
SO NANOSCALE
LA English
DT Article
ID POLY(VINYLIDENE FLUORIDE); POLYMERS; COPOLYMERS; SEPARATION; CRYSTALS;
FIBERS
AB Atomic scale features of polyvinylidene fluoride molecules (PVDF) were observed with aberration corrected transmission electron microscopy. Thin, self-supporting PVDF nanofibers were used to create images that show conformations and relative locations of atoms in segments of polymer molecules, particularly segments near the surface of the nanofiber. Rows of CF2 atomic groups, at 0.25 nm intervals, which marked the paths of segments of the PVDF molecules, were seen. The fact that an electron microscope image of a segment of a PVDF molecule depended upon the particular azimuthal direction, along which the segment was viewed, enabled observation of twist around the molecular axis. The 0.2 nm side-by-side distance between the two fluorine atoms attached to the same carbon atom was clearly resolved. Morphological and chemical changes produced by energetic electrons, ranging from no change to fiber scission, over many orders of magnitude of electrons per unit area, promise quantitative new insights into radiation chemistry. Relative movements of segments of molecules were observed. Promising synergism between high resolution electron microscopy and molecular dynamic modeling was demonstrated. This paper is at the threshold of growing usefulness of electron microscopy to the science and engineering of polymer and other molecules.
C1 [Lolla, Dinesh; Chase, George G.] Univ Akron, Dept Chem & Biomol Engn, Akron, OH 44313 USA.
[Gorse, Joseph; Reneker, Darrell H.] Univ Akron, Dept Polymer Sci, Akron, OH 44313 USA.
[Kisielowski, Christian] Lawrence Livermore Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Kisielowski, Christian] Lawrence Livermore Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
[Miao, Jiayuan; Taylor, Philip L.] Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA.
RP Reneker, DH (reprint author), Univ Akron, Dept Polymer Sci, Akron, OH 44313 USA.
EM reneker@uakron.edu
RI Foundry, Molecular/G-9968-2014
FU Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy [DE-AC02-05CH11231]; Coalescence Filtration and
Nanofiber Consortium (Ahlstrom); Coalescence Filtration and Nanofiber
Consortium (Bekaert); Coalescence Filtration and Nanofiber Consortium
(Cummins Filtration); Coalescence Filtration and Nanofiber Consortium
(Donaldson); Coalescence Filtration and Nanofiber Consortium
(Hollingsworth and Vose); Coalescence Filtration and Nanofiber
Consortium (Parker Hannifin); Coalescence Filtration and Nanofiber
Consortium (SNS Nanofiber Technology)
FX The authors thank: Coalescence Filtration and Nanofiber Consortium
(Ahlstrom, Bekaert, Cummins Filtration, Donaldson, Hollingsworth and
Vose, Parker Hannifin, and SNS Nanofiber Technology), for providing
financial support; Manideep Lolla for the graphic abstract; Alexander
Yarin for insights into electrospinning of very thin fibers; Shing-Chung
Wong, Zhenxin Zhong, Bojie Wang, Min Gao, and Alan Nicholls, for
electron microscopy; and Mesfin Tsige for molecular modeling.; Work at
the Molecular Foundry was supported by the Office of Science, Office of
Basic Energy Sciences, of the U.S. Department of Energy under Contract
No. DE-AC02-05CH11231.
NR 26
TC 5
Z9 5
U1 3
U2 14
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 2016
VL 8
IS 1
BP 120
EP 128
DI 10.1039/c5nr01619c
PG 9
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CZ2CD
UT WOS:000366911700006
PM 26369731
ER
PT J
AU Li, SZ
Zhang, W
Ding, JJ
Pearson, JE
Novosad, V
Hoffmann, A
AF Li, Shaozhen
Zhang, Wei
Ding, Junjia
Pearson, John E.
Novosad, Valentine
Hoffmann, Axel
TI Epitaxial patterning of nanometer-thick Y3Fe5O12 films with low magnetic
damping
SO NANOSCALE
LA English
DT Article
AB Magnetic insulators such as yttrium iron garnet, Y3Fe5O12, with extremely low magnetic damping have opened the door for low power spin-orbitronics due to their low energy dissipation and efficient spin current generation and transmission. We demonstrate here reliable and efficient epitaxial growth and nanopatterning of Y3Fe5O12 thin-film based nanostructures on insulating Gd3Ga5O12 substrates. In particular, our fabrication process is compatible with conventional sputtering and lift-off, and does not require aggressive ion milling which may be detrimental to the oxide thin films. Their structural and magnetic properties indicate good qualities, in particular low magnetic damping of both films and patterned structures. The dynamic magnetic properties of the nanostructures are systematically investigated as a function of the lateral dimension. By comparing with ferromagnetic nanowire structures, a distinct edge mode in addition to the main mode is identified by both experiments and simulations, which also exhibit cross-over with the main mode upon varying the width of the wires. The non-linear evolution of dynamic modes over nanostructural dimensions highlights the important role of size confinement to their material properties in magnetic devices where Y3Fe5O12 nanostructures serve as the key functional component.
C1 [Li, Shaozhen; Zhang, Wei; Ding, Junjia; Pearson, John E.; Novosad, Valentine; Hoffmann, Axel] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Li, Shaozhen] Hubei Polytech Univ, Sch Phys, Huangshi 435003, Peoples R China.
[Li, Shaozhen] Hubei Polytech Univ, Inst Quantum Mat, Huangshi 435003, Peoples R China.
RP Li, SZ (reprint author), Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
EM shaozhenli@yahoo.com
RI DING, Junjia/K-2277-2013; Novosad, V /J-4843-2015
OI DING, Junjia/0000-0002-9917-9156;
FU U.S. Department of Energy, Office of Science, Materials Science and
Engineering Division; U.S. Department of Energy, Office of Science,
Basic Energy Sciences [DE-AC02-06CH11357]; Creative team of Hubei
Polytechnic University of China [13xtz05]
FX We thank Dr Jennifer Zheng and Dr Junjie Zhang for technical help for
using the tube furnace. Work at Argonne was supported by the U.S.
Department of Energy, Office of Science, Materials Science and
Engineering Division. Use of the Center for Nanoscale Materials was
supported by the U.S. Department of Energy, Office of Science, Basic
Energy Sciences, under contract no. DE-AC02-06CH11357. S. L.
acknowledges the National Natural Science Foundation of China (no.
51302074 and 11374147), the Natural Science Foundation of Hubei Province
(no. 2012FFB010), the Creative team of Hubei Polytechnic University of
China (Project no. 13xtz05), and the Education Foundation of Hubei
Province (D20144402).
NR 34
TC 3
Z9 3
U1 6
U2 28
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 2016
VL 8
IS 1
BP 388
EP 394
DI 10.1039/c5nr06808h
PG 7
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CZ2CD
UT WOS:000366911700039
PM 26616641
ER
PT J
AU Chapman, CAR
Wang, L
Biener, J
Seker, E
Biener, MM
Matthews, MJ
AF Chapman, Christopher A. R.
Wang, Ling
Biener, Juergen
Seker, Erkin
Biener, Monika M.
Matthews, Manyalibo J.
TI Engineering on-chip nanoporous gold material libraries via precision
photothermal treatment
SO NANOSCALE
LA English
DT Article
ID MOLECULAR RELEASE; THIN-FILMS; MORPHOLOGY; MICROFABRICATION; ELECTRODES;
NANOSCALE; EVOLUTION; ACID
AB Libraries of nanostructured materials on a single chip are a promising platform for high throughput and combinatorial studies of structure-property relationships in the fields of physics and biology. Nanoporous gold (np-Au), produced by an alloy corrosion process, is a nanostructured material specifically suited for such studies because of its self-similar thermally induced coarsening behavior. However, traditional heat application techniques for the modification of np-Au are bulk processes that cannot be used to generate a library of different pore sizes on a single chip. Here, laser micro-processing offers an attractive solution to this problem by providing a means to apply energy with high spatial and temporal resolution. In the present study we use finite element multiphysics simulations to predict the effects of laser mode (continuous-wave vs. pulsed) and thermal conductivity of the supporting substrate on the local np-Au film temperatures during photothermal annealing. Based on these results we discuss the mechanisms by which the np-Au network is coarsened. Thermal transport simulations predict that continuous-wave mode laser irradiation of np-Au thin films on a silicon substrate supports the widest range of morphologies that can be created through photothermal annealing of np-Au. Using the guidance provided by simulations, we successfully fabricate an on-chip material library consisting of 81 np-Au samples of 9 different morphologies for use in the parallel study of structure-property relationships.
C1 [Chapman, Christopher A. R.] Univ Calif Davis, Dept Biomed Engn, Davis, CA 95616 USA.
[Wang, Ling; Seker, Erkin] Univ Calif Davis, Dept Elect & Comp Engn, Davis, CA 95616 USA.
[Biener, Juergen; Biener, Monika M.; Matthews, Manyalibo J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
RP Matthews, MJ (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
EM ibo@llnl.gov
OI Seker, Erkin/0000-0003-2401-3562
FU UC Lab Fees Research Program Award [12-LR-237197]; UC Davis Research
Investments in the Sciences & Engineering (RISE) Award; National Science
Foundation Awards [CBET-1512745, CBETDMR-1454426]; National Science
Foundation Graduate Research Fellowship [DGE-1148897]; National
Institutes of Health [T32-GM008799]; U.S. DOE by LLNL
[DE-AC52-07NA27344]
FX We gratefully acknowledge the support from UC Lab Fees Research Program
Award (12-LR-237197), UC Davis Research Investments in the Sciences &
Engineering (RISE) Award, and National Science Foundation Awards
(CBET-1512745 and CBET&DMR-1454426). C. Chapman was supported by a
National Science Foundation Graduate Research Fellowship [DGE-1148897]
and a predoctoral fellowship from the National Institutes of Health
[T32-GM008799]. Any opinion, findings, and conclusions or
recommendations expressed in the material are those of the authors(s)
and do not necessarily reflect the views of the National Science
Foundation or the National Institutes of Health. Work at LLNL was
performed under the auspices of the U.S. DOE by LLNL under contract
DE-AC52-07NA27344.
NR 38
TC 5
Z9 5
U1 3
U2 24
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 2016
VL 8
IS 2
BP 785
EP 795
DI 10.1039/c5nr04580k
PG 11
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CZ7CW
UT WOS:000367258500014
PM 26411758
ER
PT J
AU Klobes, B
Hu, MY
Beekman, M
Johnson, DC
Hermann, RP
AF Klobes, Benedikt
Hu, Michael Y.
Beekman, Matt
Johnson, David C.
Hermann, Raphael P.
TI Confined lattice dynamics of single and quadruple SnSe bilayers in
[(SnSe)(1.04)](m)[MoSe2](n) ferecrystals
SO NANOSCALE
LA English
DT Article
ID MISFIT LAYER COMPOUNDS; RESONANT INELASTIC ABSORPTION; MODULATED
ELEMENTAL REACTANTS; THERMOELECTRIC NANOCOMPOSITES;
SYNCHROTRON-RADIATION; THERMAL-CONDUCTIVITY; PHYSICAL-PROPERTIES;
SCATTERING; INCOHERENT; SPECTRA
AB The Sn specific densities of phonon states in the SnSe subunits of [(SnSe)(1.04)](m)[MoSe2](n) ferecrystals with (m,n) = (1,1), (4,1) and in bulk SnSe were derived from nuclear inelastic scattering by the Sn-119 Mossbauer resonance. Using different measurement configurations, phonons with polarization parallel and perpendicular to the ferecrystal plane were specifically probed. Vibrational properties and phonon spectral weight are found to strongly depend on the phonon polarization and layer count m. A highly peculiar feature of these ferecrystal densities of phonon states is the emergence of rather sharp high energy vibrational modes polarized perpendicular to the ferecrystal plane, which contrasts with usual findings in thin layered structures and nanostructured materials in general, and a depletion of modes with a gap appearing between acoustic and high energy modes. The spectral weight of these phonons depends on the overall SnSe content, m, but cannot be unambiguously attributed to SnSe-MoSe2 interfaces. Considering the low energy part of lattice dynamics, ferecrystals exhibit rather low average phonon group velocities as compared to the speed of sound in the long wavelength limit. For the (1,1) ferecrystal, this effect is most pronounced for vibrations polarized in the ferecrystal plane. Thus, an experimental microscopic origin for the vibrational and bonding anisotropy in subunits of ferecrystals is provided.
C1 [Klobes, Benedikt; Hermann, Raphael P.] Forschungszentrum Julich GmbH, JCNS, D-52425 Julich, Germany.
[Klobes, Benedikt; Hermann, Raphael P.] Forschungszentrum Julich GmbH, JARA FIT, PGI, D-52425 Julich, Germany.
[Hu, Michael Y.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Beekman, Matt] Oregon Inst Technol, Dept Nat Sci, Klamath Falls, OR 97601 USA.
[Johnson, David C.] Univ Oregon, Dept Chem, Eugene, OR 97403 USA.
[Johnson, David C.] Univ Oregon, Inst Mat Sci, Eugene, OR 97403 USA.
[Hermann, Raphael P.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
RP Klobes, B (reprint author), Gesell Anlagen & Reaktorsicherheit GRS gGmbH, Schwertnergasse 1, D-50667 Cologne, Germany.
EM b.klobes@fz-juelich.de
RI Hermann, Raphael/F-6257-2013
OI Hermann, Raphael/0000-0002-6138-5624
FU DOE Office of Science by Argonne National Laboratory
[DE-AC02-06CH11357]; German Research Society (DFG) [SPP 1386]; National
Science Foundation [DMR-1266217]; Helmholtz Society [VH-NG407]; U.S.
Department of Energy, Office of Science, Basic Energy Sciences,
Materials Sciences and Engineering Division
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. Financial support by the German Research Society
(DFG) within the framework of priority program SPP 1386 is acknowledged.
MB and DCJ acknowledge support from the National Science Foundation
under grant DMR-1266217. RPH acknowledges support from the Helmholtz
Society for grant VH-NG407 and support from the U.S. Department of
Energy, Office of Science, Basic Energy Sciences, Materials Sciences and
Engineering Division. Jiyong Zhao and Bogdan Leu are acknowledged for
help with the experiment. Michael Manley is acknowledged for helpful
discussions.
NR 47
TC 1
Z9 1
U1 10
U2 39
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 2016
VL 8
IS 2
BP 856
EP 861
DI 10.1039/c5nr06138e
PG 6
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA CZ7CW
UT WOS:000367258500021
PM 26647996
ER
PT J
AU Santer, B
Solomon, S
Ridley, D
Fyfe, J
Beltran, F
Bonfils, C
Painter, J
Zelinka, M
AF Santer, Benjamin
Solomon, Susan
Ridley, David
Fyfe, John
Beltran, Francisco
Bonfils, Celine
Painter, Jeff
Zelinka, Mark
TI Volcanic effects on climate
SO NATURE CLIMATE CHANGE
LA English
DT Letter
ID SENSITIVITY
C1 [Santer, Benjamin; Beltran, Francisco; Bonfils, Celine; Painter, Jeff; Zelinka, Mark] Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA 94550 USA.
[Solomon, Susan; Ridley, David] MIT, Earth Atmospher & Planetary Sci, Cambridge, MA 02139 USA.
[Fyfe, John] Environm Canada, Canadian Ctr Climate Modelling & Anal, Victoria, BC V8W 2Y2, Canada.
RP Santer, B (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; Zelinka, Mark/C-4627-2011
OI Zelinka, Mark/0000-0002-6570-5445
NR 10
TC 1
Z9 1
U1 1
U2 18
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1758-678X
EI 1758-6798
J9 NAT CLIM CHANGE
JI Nat. Clim. Chang.
PD JAN
PY 2016
VL 6
IS 1
BP 3
EP +
PG 2
WC Environmental Sciences; Environmental Studies; Meteorology & Atmospheric
Sciences
SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences
GA CZ3UZ
UT WOS:000367030800013
ER
PT J
AU Smith, P
Davis, SJ
Creutzig, F
Fuss, S
Minx, J
Gabrielle, B
Kato, E
Jackson, RB
Cowie, A
Kriegler, E
van Vuuren, DP
Rogelj, J
Ciais, P
Milne, J
Canadell, JG
McCollum, D
Peters, G
Andrew, R
Krey, V
Shrestha, G
Friedlingstein, P
Gasser, T
Grubler, A
Heidug, WK
Jonas, M
Jones, CD
Kraxner, F
Littleton, E
Lowe, J
Moreira, JR
Nakicenovic, N
Obersteiner, M
Patwardhan, A
Rogner, M
Rubin, E
Sharifi, A
Torvanger, A
Yamagata, Y
Edmonds, J
Cho, Y
AF Smith, Pete
Davis, Steven J.
Creutzig, Felix
Fuss, Sabine
Minx, Jan
Gabrielle, Benoit
Kato, Etsushi
Jackson, Robert B.
Cowie, Annette
Kriegler, Elmar
van Vuuren, Detlef P.
Rogelj, Joeri
Ciais, Philippe
Milne, Jennifer
Canadell, Josep G.
McCollum, David
Peters, Glen
Andrew, Robbie
Krey, Volker
Shrestha, Gyami
Friedlingstein, Pierre
Gasser, Thomas
Gruebler, Arnulf
Heidug, Wolfgang K.
Jonas, Matthias
Jones, Chris D.
Kraxner, Florian
Littleton, Emma
Lowe, Jason
Moreira, Jose Roberto
Nakicenovic, Nebojsa
Obersteiner, Michael
Patwardhan, Anand
Rogner, Mathis
Rubin, Ed
Sharifi, Ayyoob
Torvanger, Asbjorn
Yamagata, Yoshiki
Edmonds, Jae
Cho, Yongsung
TI Biophysical and economic limits to negative CO2 emissions
SO NATURE CLIMATE CHANGE
LA English
DT Review
ID GREENHOUSE-GAS MITIGATION; CLIMATE-CHANGE MITIGATION; CARBON-DIOXIDE
REMOVAL; LAND-USE; HUMAN APPROPRIATION; WATER-RESOURCES; FOOD SECURITY;
TRADE-OFFS; ENERGY; STORAGE
AB To have a >50% chance of limiting warming below 2 degrees C, most recent scenarios from integrated assessment models (IAMs) require large-scale deployment of negative emissions technologies (NETs). These are technologies that result in the net removal of greenhouse gases from the atmosphere. We quantify potential global impacts of the different NETs on various factors (such as land, greenhouse gas emissions, water, albedo, nutrients and energy) to determine the biophysical limits to, and economic costs of, their widespread application. Resource implications vary between technologies and need to be satisfactorily addressed if NETs are to have a significant role in achieving climate goals.
C1 [Smith, Pete] Univ Aberdeen, Inst Environm & Biol Sci, Aberdeen AB24 3UU, Scotland.
[Davis, Steven J.] Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA.
[Creutzig, Felix; Fuss, Sabine; Minx, Jan] Mercator Res Inst Global Commons & Climate Change, D-10829 Berlin, Germany.
[Creutzig, Felix] Tech Univ Berlin, D-10623 Berlin, Germany.
[Minx, Jan; Kriegler, Elmar] Potsdam Inst Climate Impact Res PIK, D-14412 Potsdam, Germany.
[Minx, Jan] Hertie Sch Governance, D-10117 Berlin, Germany.
[Gabrielle, Benoit] AgroParisTech, ECOSYS UMR1402, F-78850 Thiverval Grignon, France.
[Gabrielle, Benoit] Natl Rech Agron INRA, Environm & Arable Crops Res Unit, ECOSYS UMR1402, F-78850 Thiverval Grignon, France.
[Kato, Etsushi] Inst Appl Energy, Minato Ku, Tokyo 1050003, Japan.
[Jackson, Robert B.] Stanford Univ, Woods Inst Environm, Dept Earth Syst Sci, Stanford, CA 94305 USA.
[Jackson, Robert B.] Stanford Univ, Precourt Inst Energy, Stanford, CA 94305 USA.
[Cowie, Annette] Univ New England, NSW Dept Primary Ind, Armidale, NSW 2351, Australia.
[van Vuuren, Detlef P.] Univ Utrecht, Dept Environm Sci, Copernicus Inst Sustainable Dev, NL-3584 CS Utrecht, Netherlands.
[van Vuuren, Detlef P.] PBL Netherlands Environm Assessment Agcy, NL-3720 AH Bilthoven, Netherlands.
[Rogelj, Joeri] Swiss Fed Inst Technol, CH-8092 Zurich, Switzerland.
[Rogelj, Joeri; McCollum, David; Krey, Volker; Gruebler, Arnulf; Jonas, Matthias; Kraxner, Florian; Nakicenovic, Nebojsa; Obersteiner, Michael; Rogner, Mathis] Int Inst Appl Syst Anal, A-2361 Laxenburg, Austria.
[Ciais, Philippe; Gasser, Thomas] CEA Orme Merisiers, CEA CNRS UVSQ, Inst Pierre Simon Laplace, Lab Sci Climat & Environm, F-91191 Gif Sur Yvette, France.
[Milne, Jennifer] Stanford Univ, Stanford, CA 94305 USA.
[Canadell, Josep G.] CSIRO Oceans & Atmosphere Res, Global Carbon Project, Canberra, ACT 2601, Australia.
[Peters, Glen; Andrew, Robbie; Torvanger, Asbjorn] Ctr Int Climate & Environm Res Oslo, N-0349 Oslo, Norway.
[Shrestha, Gyami] US Global Change Res Program, US Carbon Cycle Sci Program, Washington, DC 20006 USA.
[Friedlingstein, Pierre] Univ Exeter, Exeter EX4 4QF, Devon, England.
[Gasser, Thomas] CNRS PontsParisTech EHESS AgroParisTech CIRAD, Ctr Int Rech Environm & Dev, F-94736 Nogent Sur Marne, France.
[Heidug, Wolfgang K.] King Abdullah Petr Studies & Res Ctr, Riyadh 11672, Saudi Arabia.
[Jones, Chris D.; Lowe, Jason] Met Off, Hadley Ctr, Exeter EX1 3PB, Devon, England.
[Littleton, Emma] Univ E Anglia, Norwich NR4 7TJ, Norfolk, England.
[Moreira, Jose Roberto] Univ Sao Paulo, Inst Energy & Environm, BR-05508010 Sao Paulo, Brazil.
[Patwardhan, Anand] Univ Maryland, Sch Publ Policy, College Pk, MD 20742 USA.
[Rubin, Ed] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA.
[Sharifi, Ayyoob] NIES, Global Carbon Project, Tsukuba Int Off, Tsukuba, Ibaraki 3058506, Japan.
[Yamagata, Yoshiki] Natl Inst Environm Studies, Tsukuba, Ibaraki 3058506, Japan.
[Edmonds, Jae] Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA.
[Cho, Yongsung] Korea Univ, Seoul 136701, South Korea.
RP Smith, P (reprint author), Univ Aberdeen, Inst Environm & Biol Sci, 23 St Machar Dr, Aberdeen AB24 3UU, Scotland.
EM pete.smith@abdn.ac.uk
RI Canadell, Josep/E-9419-2010; Smith, Pete/G-1041-2010; Kriegler,
Elmar/I-3048-2016; Friedlingstein, Pierre/H-2700-2014; Sharifi,
Ayyoob/M-7584-2013; Jones, Chris/I-2983-2014; Shrestha,
Gyami/F-9118-2014;
OI Canadell, Josep/0000-0002-8788-3218; Smith, Pete/0000-0002-3784-1124;
Kriegler, Elmar/0000-0002-3307-2647; Sharifi,
Ayyoob/0000-0002-8983-8613; Shrestha, Gyami/0000-0001-7150-8731; Rogelj,
Joeri/0000-0003-2056-9061
FU Norwegian Research Council [236296]; Joint UK DECC/Defra Met Office
Hadley Centre Climate Programme [GA01101]; Australian Climate Change
Science Program; ERTDF from the Ministry of the Environment, Japan
[S-10]
FX The views expressed herein are those of the authors, and do not
represent those of a particular governmental agency or interagency body.
This analysis was initiated at a Global Carbon Project meeting on NETs
in Laxenburg, Austria, in April 2013 and contributes to the MaGNET
program (http.//www.cger.nies.go.jp/gcp/magnet.html). G.P.P. was
supported by the Norwegian Research Council (236296). C.D.J. was
supported by the Joint UK DECC/Defra Met Office Hadley Centre Climate
Programme (GA01101). J.G.C. acknowledges support from the Australian
Climate Change Science Program. E.Ka. and Y.Y. were supported by the
ERTDF (S-10) from the Ministry of the Environment, Japan.
NR 94
TC 54
Z9 54
U1 48
U2 128
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1758-678X
EI 1758-6798
J9 NAT CLIM CHANGE
JI Nat. Clim. Chang.
PD JAN
PY 2016
VL 6
IS 1
BP 42
EP 50
DI 10.1038/NCLIMATE2870
PG 9
WC Environmental Sciences; Environmental Studies; Meteorology & Atmospheric
Sciences
SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences
GA CZ3UZ
UT WOS:000367030800017
ER
PT J
AU Bateman, AP
Gong, ZH
Liu, PF
Sato, B
Cirino, G
Zhang, Y
Artaxo, P
Bertram, AK
Manzi, AO
Rizzo, LV
Souza, RAF
Zaveri, RA
Martin, ST
AF Bateman, Adam P.
Gong, Zhaoheng
Liu, Pengfei
Sato, Bruno
Cirino, Glauber
Zhang, Yue
Artaxo, Paulo
Bertram, Allan K.
Manzi, Antonio O.
Rizzo, Luciana V.
Souza, Rodrigo A. F.
Zaveri, Rahul A.
Martin, Scot T.
TI Sub-micrometre particulate matter is primarily in liquid form over
Amazon rainforest
SO NATURE GEOSCIENCE
LA English
DT Article
ID SECONDARY ORGANIC AEROSOL; ATMOSPHERIC AEROSOLS; RELATIVE-HUMIDITY; SIZE
DISTRIBUTION; ALPHA-PINENE; PHASE STATE; PARTICLES; GROWTH; REACTIVITY;
PRECIPITATION
AB Atmospheric particulate matter influences the Earth's energy balance directly, by altering or absorbing solar radiation, and indirectly by influencing cloud formation(1). Whether organic particulate matter exists in a liquid, semi-solid, or solid state can affect particle growth and reactivity(2,3), and hence particle number, size and composition. The properties and abundance of particles, in turn, influence their direct and indirecte effects on energy balance(4). Non-liquid particulate matter was identified over a boreal forest of Northern Europe(5), but laboratory studies suggest that, at higher relative humidity levels, particles can be liquid(6,7). Here we measure the physical state of particulate matter with diameters smaller than 1 mu m over the tropical rainforest of central Amazonia in 2013. A real-time particle rebound technique shows that the particulate matter was liquid for relative humidity greater than 80% for temperatures between 296 and 300 K during both the wet and dry seasons. Combining these findings with the distributions of relative humidity and temperature in Amazonia, we conclude that near-surface sub-micrometre particulate matter in Amazonia is liquid most of the time during both the wet and the dry seasons.
C1 [Bateman, Adam P.; Gong, Zhaoheng; Liu, Pengfei; Zhang, Yue; Martin, Scot T.] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA.
[Sato, Bruno] Univ Fed Sao Carlos, BR-13565905 Sao Paulo, Brazil.
[Cirino, Glauber; Manzi, Antonio O.] Natl Inst Amazonian Res, BR-60060000 Manaus, Amazonas, Brazil.
[Artaxo, Paulo] Univ Sao Paulo, BR-05508900 Sao Paulo, Brazil.
[Bertram, Allan K.] Univ British Columbia, Dept Chem, Vancouver, BC V6T 1Z1, Canada.
[Rizzo, Luciana V.] Univ Fed Sao Paulo, Dept Earth & Exact Sci, BR-09972270 Sao Paulo, Brazil.
[Souza, Rodrigo A. F.] Amazonas State Univ, BR-69050020 Manaus, Amazonas, Brazil.
[Zaveri, Rahul A.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Martin, Scot T.] Harvard Univ, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA.
RP Martin, ST (reprint author), Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA.
EM scot_martin@harvard.edu
RI Martin, Scot/G-1094-2015; Zaveri, Rahul/G-4076-2014; Artaxo,
Paulo/E-8874-2010;
OI Martin, Scot/0000-0002-8996-7554; Zaveri, Rahul/0000-0001-9874-8807;
Artaxo, Paulo/0000-0001-7754-3036; Cirino, Glauber/0000-0003-1105-7603
FU Office of Biological and Environmental Research; Atmospheric System
Research (ASR) Program of Office of Biological and Environmental
Research; United States Department of Energy (DOE); Sao Paulo Research
Foundation (FAPESP); Amazonas State Research Foundation (FAPEAM); Brazil
Scientific Mobility Program (CsF/CAPES)
FX Institutional support was provided by the Central Office of the Brazil
Large-Scale Biosphere Atmosphere Experiment in Amazonia (LBA) and the
Brazil National Institute of Amazonian Research (INPA). We acknowledge
the Atmospheric Radiation Measurement (ARM) Climate Research Facility, a
user facility of the United States Department of Energy, Office of
Science, sponsored by the Office of Biological and Environmental
Research, and support from the Atmospheric System Research (ASR) Program
of that office. Funding was obtained from the United States Department
of Energy (DOE), the Sao Paulo Research Foundation (FAPESP), the
Amazonas State Research Foundation (FAPEAM), and the Brazil Scientific
Mobility Program (CsF/CAPES). The authors acknowledge the Air Resources
Laboratory of the United States National Oceanic and Atmospheric
Administration (NOAA) for the provision of the website
http://www.ready.noaa.gov for use of HYSPLIT. The research described
herein was conducted under scientific licence 001030/2012-4 of the
Brazilian National Council for Scientific and Technological Development
(CNPq). Y. Ishida and B. Takeshi are gratefully acknowledged for
logistical support of the measurements.
NR 39
TC 12
Z9 12
U1 8
U2 65
PU NATURE PUBLISHING GROUP
PI NEW YORK
PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA
SN 1752-0894
EI 1752-0908
J9 NAT GEOSCI
JI Nat. Geosci.
PD JAN
PY 2016
VL 9
IS 1
BP 34
EP +
DI 10.1038/NGEO2599
PG 6
WC Geosciences, Multidisciplinary
SC Geology
GA CZ6GX
UT WOS:000367200300012
ER
PT J
AU Norby, RJ
De Kauwe, MG
Domingues, TF
Duursma, RA
Ellsworth, DS
Goll, DS
Lapola, DM
Luus, KA
MacKenzie, AR
Medlyn, BE
Pavlick, R
Rammig, A
Smith, B
Thomas, R
Thonicke, K
Walker, AP
Yang, XJ
Zaehle, S
AF Norby, Richard J.
De Kauwe, Martin G.
Domingues, Tomas F.
Duursma, Remko A.
Ellsworth, David S.
Goll, Daniel S.
Lapola, David M.
Luus, Kristina A.
MacKenzie, A. Rob
Medlyn, Belinda E.
Pavlick, Ryan
Rammig, Anja
Smith, Benjamin
Thomas, Rick
Thonicke, Kirsten
Walker, Anthony P.
Yang, Xiaojuan
Zaehle, Soenke
TI Model-data synthesis for the next generation of forest free-air CO2
enrichment (FACE) experiments
SO NEW PHYTOLOGIST
LA English
DT Article
DE biodiversity; climate; elevated CO2; forest; free-air CO2 enrichment
(FACE); model-data synthesis; nitrogen (N); phosphorus (P)
ID ELEVATED ATMOSPHERIC CO2; TERRESTRIAL CARBON-CYCLE; WATER-USE
EFFICIENCY; TEMPERATE FOREST; ECOSYSTEM CARBON; STOMATAL CONDUCTANCE;
SEMIARID GRASSLAND; VEGETATION MODELS; DECIDUOUS FOREST; TROPICAL
FORESTS
AB The first generation of forest free-air CO2 enrichment (FACE) experiments has successfully provided deeper understanding about how forests respond to an increasing CO2 concentration in the atmosphere. Located in aggrading stands in the temperate zone, they have provided a strong foundation for testing critical assumptions in terrestrial biosphere models that are being used to project future interactions between forest productivity and the atmosphere, despite the limited inference space of these experiments with regards to the range of global ecosystems. Now, a new generation of FACE experiments in mature forests in different biomes and over a wide range of climate space and biodiversity will significantly expand the inference space. These new experiments are: EucFACE in a mature Eucalyptus stand on highly weathered soil in subtropical Australia; AmazonFACE in a highly diverse, primary rainforest in Brazil; BIFoR-FACE in a 150-yr-old deciduous woodland stand in central England; and SwedFACE proposed in a hemiboreal, Pinus sylvestris stand in Sweden. We now have a unique opportunity to initiate a model-data interaction as an integral part of experimental design and to address a set of cross-site science questions on topics including responses of mature forests; interactions with temperature, water stress, and phosphorus limitation; and the influence of biodiversity.
C1 [Norby, Richard J.; Walker, Anthony P.; Yang, Xiaojuan] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.
[Norby, Richard J.; Walker, Anthony P.; Yang, Xiaojuan] Oak Ridge Natl Lab, Climate Change Sci Inst, Oak Ridge, TN 37831 USA.
[De Kauwe, Martin G.; Medlyn, Belinda E.] Macquarie Univ, Dept Biol Sci, N Ryde, NSW 2109, Australia.
[Domingues, Tomas F.] Univ Sao Paulo, Fac Filosofia Ciencias & Letras Ribeirao Preto, Dept Biol, BR-14040901 Sao Paulo, Brazil.
[Duursma, Remko A.; Ellsworth, David S.; Medlyn, Belinda E.] Univ Western Sydney, Hawkesbury Inst Environm, Richmond, NSW 2751, Australia.
[Goll, Daniel S.] IPSL, Lab Sci Climat & Environnement, F-91198 Gif Sur Yvette, France.
[Lapola, David M.] Univ Estadual Paulista, Dept Ecol, Lab Ciencia Sistema Terrestre, BR-14800850 Sao Paulo, Brazil.
[Luus, Kristina A.; Zaehle, Soenke] Max Planck Inst Biogeochem, Biogeochem Integrat Dept, D-07701 Jena, Germany.
[MacKenzie, A. Rob; Thomas, Rick] Univ Birmingham, Birmingham Inst Forest Res, Birmingham B15 2TT, W Midlands, England.
[Pavlick, Ryan] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA.
[Rammig, Anja; Thonicke, Kirsten] Potsdam Inst Climate Impact Res, D-14473 Potsdam, Germany.
[Rammig, Anja] Tech Univ Munich, TUM Sch Life Sci Weihenstephan, D-85354 Freising Weihenstephan, Germany.
[Smith, Benjamin] Lund Univ, Geocentrum 2, Dept Phys Geog & Ecosyst Sci, S-22362 Lund, Sweden.
RP Norby, RJ (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA.
EM rjn@ornl.gov
RI Norby, Richard/C-1773-2012; Domingues, Tomas/G-9707-2011; Walker,
Anthony/G-2931-2016; Smith, Benjamin/I-1212-2016; Yang,
Xiaojuan/I-3643-2016; Zaehle, Sonke/C-9528-2017;
OI Norby, Richard/0000-0002-0238-9828; Domingues,
Tomas/0000-0003-2857-9838; Walker, Anthony/0000-0003-0557-5594; Smith,
Benjamin/0000-0002-6987-5337; Yang, Xiaojuan/0000-0002-2686-745X;
Zaehle, Sonke/0000-0001-5602-7956; Goll, Daniel/0000-0001-9246-9671
NR 90
TC 17
Z9 17
U1 17
U2 77
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 2016
VL 209
IS 1
BP 17
EP 28
DI 10.1111/nph.13593
PG 12
WC Plant Sciences
SC Plant Sciences
GA CX0NM
UT WOS:000365393700006
PM 26249015
ER
PT J
AU Sakimoto, KK
Wong, AB
Yang, PD
AF Sakimoto, Kelsey K.
Wong, Andrew Barnabas
Yang, Peidong
TI Self-photosensitization of nonphotosynthetic bacteria for
solar-to-chemical production
SO SCIENCE
LA English
DT Article
ID CLOSTRIDIUM-THERMOACETICUM; CARBON-DIOXIDE; H-2 PRODUCTION; CONVERSION;
CADMIUM; FUELS; PHOTOSYNTHESIS; PRECIPITATION; PATHWAYS; FIXATION
AB Improving natural photosynthesis can enable the sustainable production of chemicals. However, neither purely artificial nor purely biological approaches seem poised to realize the potential of solar-to-chemical synthesis. We developed a hybrid approach, whereby we combined the highly efficient light harvesting of inorganic semiconductors with the high specificity, low cost, and self-replication and -repair of biocatalysts. We induced the self-photosensitization of a nonphotosynthetic bacterium, Moorella thermoacetica, with cadmium sulfide nanoparticles, enabling the photosynthesis of acetic acid from carbon dioxide. Biologically precipitated cadmium sulfide nanoparticles served as the light harvester to sustain cellular metabolism. This self-augmented biological system selectively produced acetic acid continuously over several days of light-dark cycles at relatively high quantum yields, demonstrating a self-replicating route toward solar-to-chemical carbon dioxide reduction.
C1 [Sakimoto, Kelsey K.; Wong, Andrew Barnabas; Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Sakimoto, Kelsey K.; Wong, Andrew Barnabas; Yang, Peidong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA.
[Yang, Peidong] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Yang, Peidong] Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.
RP Yang, PD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM p_yang@berkeley.edu
FU U.S. Department of Energy [DE-AC02-05CH11231]; Office of Science, Office
of Basic Energy Sciences, of the U.S. Department of Energy
[DE-AC02-05CH11231]; NSF [DMR-1507914]; NSF Graduate Research Fellowship
Program [DGE-1106400]
FX The interface design part of this work was supported by the U.S.
Department of Energy under contract no. DE-AC02-05CH11231 (PChem). Work
at the Molecular Foundry was supported by the Office of Science, Office
of Basic Energy Sciences, of the U.S. Department of Energy under
contract no. DE-AC02-05CH11231. Solar-to-chemical production experiments
were supported by NSF (grant DMR-1507914). The authors thank J. J.
Gallagher and M. C. Y. Chang for the original inoculum of M.
thermoacetica ATCC 39073. K.K.S acknowledges support from the NSF
Graduate Research Fellowship Program under grant DGE-1106400. The
authors thank the National Center for Electron Microscopy. All data are
available in the body of the paper or in the supplementary materials.
NR 34
TC 44
Z9 47
U1 93
U2 305
PU AMER ASSOC ADVANCEMENT SCIENCE
PI WASHINGTON
PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA
SN 0036-8075
EI 1095-9203
J9 SCIENCE
JI Science
PD JAN 1
PY 2016
VL 351
IS 6268
BP 74
EP 77
DI 10.1126/science.aad3317
PG 4
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA CZ8QM
UT WOS:000367364200045
PM 26721997
ER
PT J
AU Majewski, PW
Yager, KG
AF Majewski, Pawel W.
Yager, Kevin G.
TI Reordering transitions during annealing of block copolymer cylinder
phases
SO SOFT MATTER
LA English
DT Article
ID ATOMIC-FORCE MICROSCOPY; PS-B-PMMA; ORDER-DISORDER TRANSITION;
CONTROLLED INTERFACIAL INTERACTIONS; GRAIN-BOUNDARY DEFECTS; THIN-FILMS;
DIBLOCK COPOLYMER; PERPENDICULAR ORIENTATION; ULTRATHIN FILMS;
GROWTH-KINETICS
AB While equilibrium block-copolymer morphologies are dictated by energy-minimization effects, the semi-ordered states observed experimentally often depend on the details of ordering pathways and kinetics. Here, we explore reordering transitions in thin films of block-copolymer cylinder-forming polystyrene-block-poly(methyl methacrylate). We observe several transient states as films order towards horizontally-aligned cylinders. In particular, there is an early-stage reorganization from randomly-packed cylinders into hexagonally-packed vertically-aligned cylinders; followed by a reorientation transition from vertical to horizontal cylinder states. These transitions are thermally activated. The growth of horizontal grains within an otherwise vertical morphology proceeds anisotropically, resulting in anisotropic grains in the final horizontal state. The size, shape, and anisotropy of grains are influenced by ordering history; for instance, faster heating rates reduce grain anisotropy. These results help elucidate aspects of pathway-dependent ordering in block-copolymer thin films.
C1 [Majewski, Pawel W.; Yager, Kevin G.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
RP Yager, KG (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
EM kyager@bnl.gov
FU U.S. Department of Energy, Office of Basic Energy Sciences
[DE-SC0012704]
FX Research carried out at the Center for Functional Nanomaterials, and
National Synchrotron Light Source, Brookhaven National Laboratory, which
are supported by the U.S. Department of Energy, Office of Basic Energy
Sciences, under Contract No. DE-SC0012704.
NR 111
TC 6
Z9 6
U1 12
U2 27
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1744-683X
EI 1744-6848
J9 SOFT MATTER
JI Soft Matter
PY 2016
VL 12
IS 1
BP 281
EP 294
DI 10.1039/c5sm02441b
PG 14
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA CZ1KD
UT WOS:000366863800033
PM 26452102
ER
PT J
AU Li, Q
Kang, QJ
Francois, MM
Hu, AJ
AF Li, Qing
Kang, Q. J.
Francois, M. M.
Hu, A. J.
TI Lattice Boltzmann modeling of self-propelled Leidenfrost droplets on
ratchet surfaces
SO SOFT MATTER
LA English
DT Article
ID SIMULATION; EQUATION; LIQUID; FLOWS; EVAPORATION; PROPULSION; DROPS
AB In this paper, the self-propelled motion of Leidenfrost droplets on ratchet surfaces is numerically investigated using a thermal multiphase lattice Boltzmann model with liquid-vapor phase change. The capability of the model for simulating evaporation is validated via the D-2 law. Using the model, we first study the performances of Leidenfrost droplets on horizontal ratchet surfaces. It is numerically shown that the motion of self-propelled Leidenfrost droplets on ratchet surfaces is owing to the asymmetry of the ratchets and the vapor flows beneath the droplets. It is found that the Leidenfrost droplets move in the direction toward the slowly inclined side from the ratchet peaks, which agrees with the direction of droplet motion in experiments [Linke et al., Phys. Rev. Lett., 2006, 96, 154502]. Moreover, the influences of the ratchet aspect ratio are investigated. For the considered ratchet surfaces, a critical value of the ratchet aspect ratio is approximately found, which corresponds to the maximum droplet moving velocity. Furthermore, the processes that the Leidenfrost droplets climb uphill on inclined ratchet surfaces are also studied. Numerical results show that the maximum inclination angle at which a Leidenfrost droplet can still climb uphill successfully is affected by the initial radius of the droplet.
C1 [Li, Qing] Cent S Univ, Sch Energy Sci & Engn, Changsha 410083, Hunan, Peoples R China.
[Li, Qing; Kang, Q. J.] Los Alamos Natl Lab, Computat Earth Sci Grp, Los Alamos, NM 87545 USA.
[Francois, M. M.] Los Alamos Natl Lab, Fluid Dynam & Solid Mech, Los Alamos, NM 87545 USA.
[Hu, A. J.] Southwest Univ Sci & Technol, Sch Civil Engn & Architecture, Mianyang 621010, Peoples R China.
RP Kang, QJ (reprint author), Los Alamos Natl Lab, Computat Earth Sci Grp, POB 1663, Los Alamos, NM 87545 USA.
EM qkang@lanl.gov
RI Kang, Qinjun/A-2585-2010;
OI Kang, Qinjun/0000-0002-4754-2240; Francois, Marianne/0000-0003-3062-6234
FU Los Alamos National Laboratory's Lab Directed Research & Development
Program; National Natural Science Foundation of China [51506227];
Foundation for the Author of National Excellent Doctoral Dissertation of
China [201439]; DOE NETL Unconventional Oil Gas Project
FX This work was supported by the Los Alamos National Laboratory's Lab
Directed Research & Development Program, the National Natural Science
Foundation of China (No. 51506227), and the Foundation for the Author of
National Excellent Doctoral Dissertation of China (No. 201439). Q. K.
also acknowledges the support from a DOE NETL Unconventional Oil & Gas
Project.
NR 58
TC 3
Z9 3
U1 4
U2 22
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1744-683X
EI 1744-6848
J9 SOFT MATTER
JI Soft Matter
PY 2016
VL 12
IS 1
BP 302
EP 312
DI 10.1039/c5sm01353d
PG 11
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA CZ1KD
UT WOS:000366863800035
PM 26467921
ER
PT J
AU Bagus, PS
Nelin, CJ
Al-Salik, Y
Ilton, ES
Idriss, H
AF Bagus, Paul S.
Nelin, Connie J.
Al-Salik, Yahya
Ilton, Eugene S.
Idriss, Hicham
TI Multiplet splitting for the XPS of heavy elements: Dependence on
oxidation state
SO SURFACE SCIENCE
LA English
DT Article
DE XPS; Heavy metal atoms; Multiplets; Intermediate angular momentum
coupling
ID CORE-LEVEL SPECTROSCOPY; TRANSITION-METAL IONS; BACKGROUND SUBTRACTION;
PHOTOEMISSION SPECTRA; GENERAL BEHAVIOR; VACANCY LEVELS; DEGENERACY;
CHEMISTRY; PACKAGE; CATIONS
AB Multiplet splittings in X-ray Photo-electron Spectroscopy, XPS, are a means of distinguishing different open shell occupations, or different oxidation states, in a material being studied. Indeed, especially for 3d transition metal complexes, they have provided fingerprints of the metal oxidation state. The present work provides theoretical and experimental evidence that it may also be possible to use multiplets to characterize the oxidation state of heavy metal, lanthanide and actinide, cations in complexes. However, it is important to make a proper choice of the XPS region to study in order to obtain large multiplet splittings. We identify a low binding energy, BE, peak that had been observed for Ce(III) in CeOx as a high spin coupled multiple Furthermore, we show that a low BE feature with reasonable intensity is characteristic of other XPS regions and of other metals. This feature arises from a high spin multiplet and serves as a fingerprint to distinguish closed shell from open shell cations. Evidence is presented that it may also be possible to distinguish different open shell occupations. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Bagus, Paul S.] Univ N Texas, Dept Chem, Denton, TX 76203 USA.
[Al-Salik, Yahya; Idriss, Hicham] Corp Res Inst KAUST, SABIC, Thuwal, Saudi Arabia.
[Ilton, Eugene S.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Bagus, PS (reprint author), Univ N Texas, Dept Chem, Denton, TX 76203 USA.
EM bagus@unt.edu
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Chemical Sciences, Geosciences, and Biosciences (CSGB)
Division through the Geosciences program at Pacific Northwest National
Laboratory
FX PSB and ESI acknowledge support from the U.S. Department of Energy,
Office of Science, Office of Basic Energy Sciences, Chemical Sciences,
Geosciences, and Biosciences (CSGB) Division through the Geosciences
program at Pacific Northwest National Laboratory. YS and HI thank Dr.
Toseef Ahmed for his assistance in the XPS measurements.
NR 47
TC 2
Z9 2
U1 12
U2 35
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0039-6028
EI 1879-2758
J9 SURF SCI
JI Surf. Sci.
PD JAN
PY 2016
VL 643
SI SI
BP 142
EP 149
DI 10.1016/j.susc.2015.06.002
PG 8
WC Chemistry, Physical; Physics, Condensed Matter
SC Chemistry; Physics
GA CZ0JI
UT WOS:000366790700022
ER
PT J
AU Chirik, PJ
Schmidt, VA
Hoyt, JM
Tondreau, AM
AF Chirik, Paul J.
Schmidt, Valerie A.
Hoyt, Jordan M.
Tondreau, Aaron M.
TI Iron-Catalyzed Intermolecular [2+2] Cycloadditions of Unactivated
Alkenes
SO SYNLETT
LA English
DT Editorial Material
ID 2-PI+2-PI CYCLOADDITION; ELECTRONIC-STRUCTURE
C1 [Chirik, Paul J.] MIT, Cambridge, MA 02139 USA.
[Schmidt, Valerie A.] Univ N Carolina, Chapel Hill, NC USA.
[Tondreau, Aaron M.] Los Alamos Natl Lab, Los Alamos, NM USA.
RP Chirik, PJ (reprint author), MIT, Cambridge, MA 02139 USA.
NR 5
TC 0
Z9 0
U1 5
U2 16
PU GEORG THIEME VERLAG KG
PI STUTTGART
PA RUDIGERSTR 14, D-70469 STUTTGART, GERMANY
SN 0936-5214
EI 1437-2096
J9 SYNLETT
JI Synlett
PD JAN
PY 2016
VL 27
IS 1
BP A12
EP A14
PG 3
WC Chemistry, Organic
SC Chemistry
GA CZ3PA
UT WOS:000367015300005
ER
PT J
AU Nishawala, VV
Ostoja-Starzewski, M
Leamy, MJ
Demmie, PN
AF Nishawala, Vinesh V.
Ostoja-Starzewski, Martin
Leamy, Michael J.
Demmie, Paul N.
TI Simulation of elastic wave propagation using cellular automata and
peridynamics, and comparison with experiments
SO WAVE MOTION
LA English
DT Article
DE Peridynamics; Cellular Automata; Lamb's Problem; Wave propagation;
Surface waves; Validation
AB Peridynamics is a non-local continuum mechanics formulation that can handle spatial discontinuities as the governing equations are integro-differential equations which do not involve gradients such as strains and deformation rates. This paper employs bond-based peridynamics. Cellular Automata is a local computational method which, in its rectangular variant on interior domains, is mathematically equivalent to the central difference finite difference method. However, cellular automata does not require the derivation of the governing partial differential equations and provides for common boundary conditions based on physical reasoning. Both methodologies are used to solve a half-space subjected to a normal load, known as Lamb's Problem. The results are compared with theoretical solution from classical elasticity and experimental results. This paper is used to validate our implementation of these methods. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Nishawala, Vinesh V.; Ostoja-Starzewski, Martin] Univ Illinois, Inst Condensed Matter Theory, Dept Mech Sci & Engn, Champaign, IL 61820 USA.
[Nishawala, Vinesh V.; Ostoja-Starzewski, Martin] Univ Illinois, Beckman Inst, Champaign, IL 61820 USA.
[Leamy, Michael J.] Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA.
[Demmie, Paul N.] Sandia Natl Labs, Terminal Ballist Technol, Albuquerque, NM 87185 USA.
RP Nishawala, VV (reprint author), Univ Illinois, Inst Condensed Matter Theory, Dept Mech Sci & Engn, Champaign, IL 61820 USA.
EM nishawa2@illinois.edu
OI Ostoja-Starzewski, Martin/0000-0002-3493-363X
FU NSF [CMMI-1030940, IIP-1362146]
FX This work was partially supported by the NSF under grants CMMI-1030940
and IIP-1362146 (I/UCRC on Novel High Voltage/Temperature Materials and
Structures).
NR 18
TC 2
Z9 2
U1 4
U2 9
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0165-2125
EI 1878-433X
J9 WAVE MOTION
JI Wave Motion
PD JAN
PY 2016
VL 60
BP 73
EP 83
DI 10.1016/j.wavemoti.2015.08.005
PG 11
WC Acoustics; Mechanics; Physics, Multidisciplinary
SC Acoustics; Mechanics; Physics
GA CZ0EJ
UT WOS:000366777600007
ER
PT J
AU Velazquez, D
Seibert, R
Ganegoda, H
Olive, D
Rice, A
Logan, K
Yusof, Z
Spentzouris, L
Terry, J
AF Velazquez, Daniel
Seibert, Rachel
Ganegoda, Hasitha
Olive, Daniel
Rice, Amy
Logan, Kevin
Yusof, Zikri
Spentzouris, Linda
Terry, Jeff
TI Tailoring the emissive properties of photocathodes through materials
engineering: Ultra-thin multilayers
SO APPLIED SURFACE SCIENCE
LA English
DT Article
DE Pulsed laser deposition; RHEED; Epitaxy; Photocathode; Work function;
Quantum efficiency
ID CESIUM TELLURIDE; PHOTOEMISSION; GUN
AB We report on an experimental verification that emission properties of photocathodes can be manipulated through the engineering of the surface electronic structure. Ultrathin multilayered MgO/Ag(0 0 1)/MgO films were grown by pulsed laser deposition, tuning the thickness n of the flanking MgO layers to 0, 2, 3, and 4 monolayers. We observed an increase in quantum efficiency and simultaneous decrease in work function with layer thickness. The scale and trend direction of measurements are in good but not excellent agreement with theory. Angle resolved photoemission data for the multilayered sample n = 3 showed that the emission profile has a metallic-like momentum dispersion. Deviations from theoretical predictions [K. Nemeth et al., PRL 104, 046801 (2010)] are attributed to imperfections of real surfaces in contrast with the ideal surfaces of the calculation. Photoemissive properties of cathodes are critical for electron beam applications such as photoinjectors for Free Electron Lasers (FEL) and Energy Recovery Linacs (ERL). An ideal photoemitter has a high quantum efficiency, low work function, low intrinsic emittance and long lifetime. It has been demonstrated here that emission properties may be systematically tailored by control of layer thickness in ultrathin multilayered structures. The reproducibility of the emission parameters under specific growth conditions is excellent, even though the interfaces themselves have varying degrees of roughness. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Velazquez, Daniel; Seibert, Rachel; Ganegoda, Hasitha; Olive, Daniel; Rice, Amy; Logan, Kevin; Yusof, Zikri; Spentzouris, Linda; Terry, Jeff] IIT, Dept Phys, Chicago, IL 60616 USA.
[Olive, Daniel] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Olive, Daniel] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA.
RP Terry, J (reprint author), IIT, Dept Phys, Chicago, IL 60616 USA.
EM terryj@iit.edu
OI Olive, Daniel/0000-0002-6465-4981
FU U.S. National Science Foundation [0969989]; U.S. Department of Energy
[DE-SC0007952]; U.S. Department of Education through the GAANN
Fellowship Program [P200A090137]
FX The authors thank the staff of AWA at ANL, Eric Wisniewski, Katherine
Harkay and Karoly Nemeth for valuable discussions and the facilitation
of resources crucial for the completion of these studies. We also thank
the staff of CMP and U13UB beamline from NSLS at BNL. This work was
funded by the U.S. National Science Foundation under the grant no.
0969989, the U.S. Department of Energy under the grant no. DE-SC0007952
and the U.S. Department of Education through the GAANN Fellowship
Program, award no. P200A090137.
NR 30
TC 0
Z9 0
U1 2
U2 9
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0169-4332
EI 1873-5584
J9 APPL SURF SCI
JI Appl. Surf. Sci.
PD JAN 1
PY 2016
VL 360
BP 762
EP 766
DI 10.1016/j.apsusc.2015.11.064
PN B
PG 5
WC Chemistry, Physical; Materials Science, Coatings & Films; Physics,
Applied; Physics, Condensed Matter
SC Chemistry; Materials Science; Physics
GA CY7MJ
UT WOS:000366592400041
ER
PT J
AU Morra, S
Maurelli, S
Chiesa, M
Mulder, DW
Ratzloff, MW
Giamello, E
King, PW
Gilardi, G
Valetti, F
AF Morra, Simone
Maurelli, Sara
Chiesa, Mario
Mulder, David W.
Ratzloff, Michael W.
Giamello, Elio
King, Paul W.
Gilardi, Gianfranco
Valetti, Francesca
TI The effect of a C298D mutation in CaHydA [FeFe]-hydrogenase: Insights
into the protein-metal cluster interaction by EPR and FTIR spectroscopic
investigation
SO BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS
LA English
DT Article
DE [FeFe]-hydrogenase; Proton transfer; EPR; HYSCORE; FTIR
ID FE-ONLY HYDROGENASE; CARBON-MONOXIDE BINDING; ACTIVE-SITE; H-CLUSTER;
DESULFOVIBRIO-DESULFURICANS; CLOSTRIDIUM-PASTEURIANUM;
CHLAMYDOMONAS-REINHARDTII; LIGHT SENSITIVITY; INFRARED-SPECTROSCOPY;
ELECTRONIC-STRUCTURE
AB A conserved cysteine located in the signature motif of the catalytic center (H-cluster) of [FeFe]-hydrogenases functions in proton transfer. This residue corresponds to C298 in Clostridium acetobutylicum CaHydA. Despite the chemical and structural difference, the mutant C298D retains fast catalytic activity, while replacement with any other amino acid causes significant activity loss. Given the proximity of C298 to the H-cluster, the effect of the C298D mutation on the catalytic center was studied by continuous wave (CW) and pulse electron paramagnetic resonance (EPR) and by Fourier transform infrared (FTIR) spectroscopies.
Comparison of the C298D mutant with the wild type CaHydA by CW and pulse EPR showed that the electronic structure of the center is not altered. FTIR spectroscopy confirmed that absorption peak values observed in the mutant are virtually identical to those observed in the wild type, indicating that the H-cluster is not generally affected by the mutation. Significant differences were observed only in the inhibited state H-ox-CO: the vibrational modes assigned to the COexo and Fe-d-CO in this state are shifted to lower values in C298D, suggesting different interaction of these ligands with the protein moiety when C298 is changed to D298. More relevant to the catalytic cycle, the redox equilibrium between the H-ox and H-red states is modified by the mutation, causing a prevalence of the oxidized state.
This work highlights how the interactions between the protein environment and the H-cluster, a dynamic closely interconnected system, can be engineered and studied in the perspective of designing bio-inspired catalysts and mimics. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Morra, Simone; Gilardi, Gianfranco; Valetti, Francesca] Univ Turin, Dept Life Sci & Syst Biol, I-10133 Turin, Italy.
[Maurelli, Sara; Chiesa, Mario; Giamello, Elio] Univ Turin, Dept Chem, I-10133 Turin, Italy.
[Mulder, David W.; Ratzloff, Michael W.; King, Paul W.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA.
RP Valetti, F (reprint author), Univ Turin, Dept Life Sci & Syst Biol, I-10133 Turin, Italy.
EM francesca.valetti@unito.it
RI King, Paul/D-9979-2011; GILARDI, GIANFRANCO/B-4523-2010;
OI King, Paul/0000-0001-5039-654X; Morra, Simone/0000-0003-1341-191X
FU University of Torino [1083/2006]; U.S. Department of Energy, Office of
Science, Basic Energy Sciences, Division of Chemical Sciences,
Geosciences, and Biosciences; U.S. Department of Energy
[DE-AC36-08-GO28308]; National Renewable Energy Laboratory; RICERCA
LOCALE; project HyStrEM (E.U. Structural Funds) [1083/2006 F.E.S.R.
2007-2013]
FX This work was supported by "RICERCA LOCALE" 2012 and 2013 from the
University of Torino and, partially, by project HyStrEM (E.U. Structural
Funds N.1083/2006 F.E.S.R. 2007-2013).r D.W.M., M.W.R., and P.W.K.
gratefully acknowledge funding support for assistance with hydrogenase
expression and FTIR data collection methods from the U.S. Department of
Energy, Office of Science, Basic Energy Sciences, Division of Chemical
Sciences, Geosciences, and Biosciences and support of the U.S.
Department of Energy under contract no. DE-AC36-08-GO28308 with the
National Renewable Energy Laboratory.
NR 67
TC 3
Z9 3
U1 4
U2 31
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0005-2728
EI 0006-3002
J9 BBA-BIOENERGETICS
JI Biochim. Biophys. Acta-Bioenerg.
PD JAN
PY 2016
VL 1857
IS 1
BP 98
EP 106
DI 10.1016/j.bbabio.2015.10.005
PG 9
WC Biochemistry & Molecular Biology; Biophysics
SC Biochemistry & Molecular Biology; Biophysics
GA CZ0CC
UT WOS:000366771700011
PM 26482707
ER
PT J
AU Yee, CS
Xie, LQ
Hatsell, S
Hum, N
Murugesh, D
Economides, AN
Loots, GG
Collette, NM
AF Yee, Cristal S.
Xie, LiQin
Hatsell, Sarah
Hum, Nicholas
Murugesh, Deepa
Economides, Aris N.
Loots, Gabriela G.
Collette, Nicole M.
TI Sclerostin antibody treatment improves fracture outcomes in a Type I
diabetic mouse model
SO BONE
LA English
DT Article
DE Sclerostin; Type I diabetes; Fracture repair; Streptozotocin; STZ;
Osteoblast differentiation; Sclerostin antibody
ID BONE-MINERAL DENSITY; VAN-BUCHEM-DISEASE; OXIDATIVE STRESS; TARGETED
DELETION; OSTEOTOMY MODEL; SOST GENE; MELLITUS; RATS; CATENIN; MICE
AB Type 1 diabetes mellitus (T1DM) patients have osteopenia and impaired fracture healing due to decreased osteoblast activity. Further, no adequate treatments are currently available that can restore impaired healing in T1DM; hence a significant need exists to investigate new therapeutics for treatment of orthopedic complications. Sclerostin (SOST), a WNT antagonist, negatively regulates bone formation, and SostAb is a potent bone anabolic agent. To determine whether SOST antibody (SostAb) treatment improves fracture healing in streptozotocin (STZ) induced T1DM mice, we administered SostAb twice weekly for up to 21 days post-fracture, and examined bone quality and callus outcomes at 21 days and 42 days post-fracture (11 and 14 weeks of age, respectively). Here we show that SostAb treatment improves bone parameters; these improvements persist after cessation of antibody treatment. Markers of osteoblast differentiation such as Runx2, collagen I, osteocalcin, and DMP1 were reduced, while an abundant number of SP7/osterix-positive early osteoblasts were observed on the bone surface of STZ calluses. These results suggest that STZ calluses have poor osteogenesis resulting from failure of osteoblasts to fully differentiate and produce mineralized matrix, which produces a less mineralized callus. SostAb treatment enhanced fracture healing in both normal and STZ groups, and in STZ + SosAb mice, also reversed the lower mineralization seen in STZ calluses. Micro-CT analysis of calluses revealed improved bone parameters with SostAb treatment, and the mineralized bone was comparable to Controls. Additionally, we found sclerostin levels to be elevated in STZ mice and beta-catenin activity to be reduced. Consistent with its function as a WNT antagonist, SostAb treatment enhanced beta-catenin activity, but also increased the levels of SOST in the callus and in circulation. Our results indicate that SostAb treatment rescues the impaired osteogenesis seen in the STZ induced T1DM fracture model by facilitating osteoblast differentiation and mineralization of bone. (C) 2015 The Authors. Published by Elsevier Inc. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
C1 [Yee, Cristal S.; Hum, Nicholas; Loots, Gabriela G.] Lawrence Livermore Natl Lab, Biol & Biotechnol Div, Livermore, CA 94550 USA.
[Yee, Cristal S.; Murugesh, Deepa; Loots, Gabriela G.; Collette, Nicole M.] Univ Calif Merced, Sch Nat Sci, Merced, CA 95343 USA.
[Xie, LiQin; Hatsell, Sarah; Economides, Aris N.] Regeneron Pharmaceut, Tarrytown, NY USA.
RP Collette, NM (reprint author), Univ Calif Merced, Sch Nat Sci, Merced, CA 95343 USA.
EM collette2@llnl.gov
OI Economides, Aris/0000-0002-6508-8942
FU National Institutes of Health [DK075730]; Laboratory-directed Research
and Development Grant [11-ERD-060]; United States Department of Energy
by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]
FX CV performed the experiments, data analysis, and contributed to the
manuscript, LX performed uCT analysis and interpretation, SH provided
technical resources for SostAb usage, NH performed critical reading of
the manuscript, DM contributed to animal experiments, ANE provided
SostAb and contributed to the manuscript writing, GGL contributed to
experimental design, mentorship, and manuscript writing, and NMC
performed experiments, designed experiments, performed data analysis and
wrote the manuscript. SH, LX, ANE are employees of Regeneron
Pharmaceuticals, Inc. This study received funding from National
Institutes of HealthDK075730 and Laboratory-directed Research and
Development Grant11-ERD-060. This work was conducted under the auspices
of the United States Department of Energy by Lawrence Livermore National
Laboratory (Contract #DE-AC52-07NA27344) (Manuscript release number
LLNL-JRNL-666626).
NR 67
TC 6
Z9 6
U1 0
U2 7
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 8756-3282
EI 1873-2763
J9 BONE
JI Bone
PD JAN
PY 2016
VL 82
SI SI
BP 122
EP 134
DI 10.1016/j.bone.2015.04.048
PG 13
WC Endocrinology & Metabolism
SC Endocrinology & Metabolism
GA CY5HG
UT WOS:000366438100018
PM 25952969
ER
PT J
AU Trinchero, P
Painter, S
Ebrahimi, H
Koskinen, L
Molinero, J
Selroos, JO
AF Trinchero, Paolo
Painter, Scott
Ebrahimi, Hedieh
Koskinen, Lasse
Molinero, Jorge
Selroos, Jan-Olof
TI Modelling radionuclide transport in fractured media with a dynamic
update of K-d values
SO COMPUTERS & GEOSCIENCES
LA English
DT Article
DE Radionuclide transport; Retention properties; Background geochemistry;
Distribution coefficient
ID SORPTION; CESIUM; DEPENDENCE
AB Radionuclide transport in fractured crystalline rocks is a process of interest in evaluating long term safety of potential disposal systems for radioactive wastes. Given their numerical efficiency and the absence of numerical dispersion, Lagrangian methods (e.g. particle tracking algorithms) are appealing approaches that are often used in safety assessment (SA) analyses. In these approaches, many complex geochemical retention processes are typically lumped into a single parameter: the distribution coefficient (K-d). Usually, the distribution coefficient is assumed to be constant over the time frame of interest. However, this assumption could be critical under long-term geochemical changes as it is demonstrated that the distribution coefficient depends on the background chemical conditions (e.g. pH, Eh, and major chemistry). In this work, we provide a computational framework that combines the efficiency of Lagrangian methods with a sound and explicit description of the geochemical changes of the site and their influence on the radionuclide retention properties. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Trinchero, Paolo; Ebrahimi, Hedieh; Molinero, Jorge] AMPHOS 21 Consulting SL, Barcelona 08019, Spain.
[Painter, Scott] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Koskinen, Lasse] Posiva Oy, FI-27160 Olkiluoto, Eurajoki, Finland.
[Selroos, Jan-Olof] Swedish Nucl Fuel & Waste Management Co, S-10124 Stockholm, Sweden.
RP Trinchero, P (reprint author), AMPHOS 21 Consulting SL, Passeig Garcia & Faria 49-51,1-1, Barcelona 08019, Spain.
EM paolo.trinchero@amphos21.com
RI Painter, Scott/C-2586-2016;
OI Painter, Scott/0000-0002-0901-6987; Trinchero, Paolo/0000-0003-1351-2788
FU Swedish Nuclear Fuel and Waste Management Company (SKB); Posiva Oy
FX P.T., S.P., J.M. and H.E. thank the Swedish Nuclear Fuel and Waste
Management Company (SKB) and Posiva Oy for the financial support. The
authors also want to thank Luis Manuel de Vries and two anonymous
reviewers for their very helpful comments.
NR 32
TC 0
Z9 0
U1 1
U2 2
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0098-3004
EI 1873-7803
J9 COMPUT GEOSCI-UK
JI Comput. Geosci.
PD JAN
PY 2016
VL 86
BP 55
EP 63
DI 10.1016/j.cageo.2015.10.005
PG 9
WC Computer Science, Interdisciplinary Applications; Geosciences,
Multidisciplinary
SC Computer Science; Geology
GA CZ0BQ
UT WOS:000366770500006
ER
PT J
AU Gomez-Alvarez, P
Hamad, S
Haranczyk, M
Ruiz-Salvador, AR
Calero, S
AF Gomez-Alvarez, Paula
Hamad, Said
Haranczyk, Maciej
Rabdel Ruiz-Salvador, A.
Calero, Sofia
TI Comparing gas separation performance between all known zeolites and
their zeolitic imidazolate framework counterparts
SO DALTON TRANSACTIONS
LA English
DT Article
ID METAL-ORGANIC FRAMEWORKS; MOLECULAR-DYNAMICS SIMULATIONS; FORCE-FIELD;
CARBON-DIOXIDE; ADSORPTION; METHANE; MODEL; CO2; SELECTIVITY; POLYMORPHS
AB To find optimal porous materials for adsorption-based separations is a challenging task due to the extremely large number of possible pore topologies and compositions. New porous material classes such as Metal Organic Frameworks (MOFs) are emerging, and hope to replace traditionally used materials such as zeolites. Computational screening offers relatively fast searching for candidate structures as well as side-by-side comparisons between material families. This work is pioneering at examining the families comprised by the experimentally known zeolites and their respective Zeolitic Imidazolate Framework (ZIF) counterparts in the context of a number of environmental and industrial separations involving carbon dioxide, nitrogen, methane, oxygen, and argon. Additionally, unlike related published work, here all the targeted structures have been previously relaxed through energy minimization. On the first level of characterization, we considered a detailed pore characterization, identifying 24 zeolites as promising candidates for gas separation based on adsorbate sizes. The second level involved interatomic potential-based calculations to assess the adsorption performance of the materials. We found no correlation in the values of heat of adsorption between zeolites and ZIFs sharing the same topology. A number of structures were identified as potential experimental targets for CO2/N-2, and CO2/CH4 affinity-based separations.
C1 [Gomez-Alvarez, Paula; Hamad, Said; Rabdel Ruiz-Salvador, A.; Calero, Sofia] Univ Pablo Olavide, Dept Phys Chem & Nat Syst, ES-41013 Seville, Spain.
[Haranczyk, Maciej] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
RP Gomez-Alvarez, P (reprint author), Univ Pablo Olavide, Dept Phys Chem & Nat Syst, ES-41013 Seville, Spain.
EM pgomalv1@upo.es; scalero@upo.es
RI Calero, Sofia/G-3144-2010; hamad, said/K-8650-2014; Ruiz-Salvador, A.
Rabdel/K-2499-2013
OI Calero, Sofia/0000-0001-9535-057X; hamad, said/0000-0003-4148-2344;
Ruiz-Salvador, A. Rabdel/0000-0002-2004-687X
FU European Research Council through an ERC Starting Grant
[ERC2011-StG-279520-RASPA]; MINECO [CTQ2013-48396-P]; Andalucia Region
[FQM-1851]; U.S. Department of Energy, Office of Basic Energy Sciences,
Division of Chemical Sciences, Geosciences and Biosciences
[DE-FG02-12ER16362]
FX This work was supported by the European Research Council through an ERC
Starting Grant (ERC2011-StG-279520-RASPA), by the MINECO
(CTQ2013-48396-P) and by the Andalucia Region (FQM-1851). M. H. is
supported by the U.S. Department of Energy, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences and Biosciences
under Award DE-FG02-12ER16362.
NR 74
TC 4
Z9 4
U1 12
U2 60
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 2016
VL 45
IS 1
BP 216
EP 225
DI 10.1039/c5dt04012d
PG 10
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA CY5DT
UT WOS:000366429000023
PM 26600432
ER
PT J
AU Kelsey, RA
Miller, DA
Parkin, SR
Liu, K
Remias, JE
Yang, Y
Lightstone, FC
Liu, KL
Lippert, CA
Odom, SA
AF Kelsey, Rachael A.
Miller, David A.
Parkin, Sean R.
Liu, Kun
Remias, Joe E.
Yang, Yue
Lightstone, Felice C.
Liu, Kunlei
Lippert, Cameron A.
Odom, Susan A.
TI Carbonic anhydrase mimics for enhanced CO2 absorption in an amine-based
capture solvent
SO DALTON TRANSACTIONS
LA English
DT Article
ID DIOXIDE FIXATION; SMALL-MOLECULE; COMPLEXES; CATALYSTS; MODEL; ZINC;
BINDING; ND; LN; YB
AB Two new small-molecule enzyme mimics of carbonic anhydrase were prepared and characterized. These complexes contain the salen-like ligand bis(hydroxyphenyl)phenanthroline. This ligand is similar to the salen-type ligands previously incorporated into carbonic anhydrase mimics but contains no hydrolyzable imine groups and therefore serves as a promising ligand scaffold for the synthesis of a more robust CO2 hydration catalyst. These homogeneous catalysts were investigated for CO2 hydration in concentrated primary amine solutions through which a dilute CO2 (14%) fluid stream was flowed and showed exceptional activity for increased CO2 absorption rates.
C1 [Kelsey, Rachael A.; Miller, David A.; Parkin, Sean R.; Odom, Susan A.] Univ Kentucky, Dept Chem, Lexington, KY 40506 USA.
[Liu, Kun; Remias, Joe E.; Liu, Kunlei; Lippert, Cameron A.] Univ Kentucky, Ctr Appl Energy Res, Lexington, KY 40511 USA.
[Yang, Yue; Lightstone, Felice C.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Liu, Kunlei] Univ Kentucky, Dept Mech Engn Biosci & Biotechnol, Lexington, KY 40511 USA.
RP Lippert, CA (reprint author), Univ Kentucky, Ctr Appl Energy Res, 3572 Iron Works Pike, Lexington, KY 40511 USA.
EM lightstone1@llnl.gov; kunlei.liu@uky.edu; cameron.lippert@uky.edu;
susan.odom@uky.edu
FU University of Kentucky's Office for the Vice President for Research;
College of Arts and Sciences; University of Kentucky's Office for
Undergraduate Research; U.S. Department of Energy at Lawrence Livermore
National Laboratory [DE-AC52-07NA27344]
FX We thank the University of Kentucky's Office for the Vice President for
Research and the College of Arts and Sciences for start-up funding for
SAO. RB thanks the University of Kentucky's Office for Undergraduate
Research for a Summer Research and Creativity Grant. YY and FCL thank
Livermore Computing for the generous computer time and Dr Roger Aines
and Dr Ed Lau for helpful discussions. We also thank the LLNL Grand
Challenge program for the computer time. The computational portion of
this work was performed under the auspices of the U.S. Department of
Energy at Lawrence Livermore National Laboratory under Contract
DE-AC52-07NA27344. Release number LLNL-JRNL-655987.
NR 53
TC 4
Z9 4
U1 6
U2 22
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 2016
VL 45
IS 1
BP 324
EP 333
DI 10.1039/c5dt02943k
PG 10
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA CY5DT
UT WOS:000366429000036
PM 26608052
ER
PT J
AU Yang, YQ
Teat, SJ
Zhang, ZC
Luo, SZ
Rao, LF
AF Yang, Yanqiu
Teat, Simon J.
Zhang, Zhicheng
Luo, Shunzhong
Rao, Linfeng
TI Complexation of U(VI) with benzoic acid at variable temperatures
(298-353 K): thermodynamics and crystal structures of U(VI)/benzoate
complexes
SO DALTON TRANSACTIONS
LA English
DT Article
ID AQUEOUS-SOLUTIONS; DEPLETED URANIUM; STRONG ELECTROLYTES;
AROMATIC-ACIDS; DEGREES-C; URANYL; ACETATE; PHOTOLUMINESCENT;
ENVIRONMENT; PROPERTY
AB Thermodynamics of the U(VI) complexation with benzoic acid (HL) was studied by spectrophotometry at varied temperatures (298-353 K) with constant ionic strength (1.05 mol kg(-1) NaClO4). Two U(VI) benzoate complexes, UO2L+ and UO2(OH)L(aq), were identified and their formation constants determined. The formation of both complexes is endothermic and driven exclusively by entropy. Two types of U(VI)/benzoate complex crystals were synthesized from aqueous solutions at different pH and ligand/metal ratios. Their structures were determined by single-crystal X-ray diffractometry. One structure is a 1 : 3 U(VI) benzoate complex (Na[UO2(C7H5O2)(3)]center dot 2H(2)O), each benzoate holding a bidentate coordination mode to U(VI) in the equatorial plane of UO22+. The other is a U(VI) hydroxobenzoate complex with unique mu(3)-OH bridging ([(UO2)(2)(C7H5O2)(2)(mu(3)-OH)(2)]center dot 4H(2)O). In the structure, each UO22+ ion holds five coordination oxygens in its equatorial plane, two carboxylate oxygens from two benzoate ligands and three oxygens from three mu(3)-OH groups.
C1 [Yang, Yanqiu; Luo, Shunzhong] China Acad Engn Phys, Inst Nucl Phys & Chem, Mianyang 621900, Sichuan, Peoples R China.
[Yang, Yanqiu; Zhang, Zhicheng; Rao, Linfeng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Zhang, ZC (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
FU U.S. Department of Energy (DOE), Office of Science, Office of Basic
Energy Sciences at Lawrence Berkeley National Laboratory
[DE-AC02-05CH11231]; Office of Science, Office of Basic Energy Sciences,
U.S. DOE [DE-AC02-05CH11231]
FX This publication is based on the work supported by the U.S. Department
of Energy (DOE), Office of Science, Office of Basic Energy Sciences,
under Contract No. DE-AC02-05CH11231 at Lawrence Berkeley National
Laboratory. Single-crystal X-ray diffraction data were collected and
analysed at the Advanced Light Source (ALS). ALS is supported by the
Director, Office of Science, Office of Basic Energy Sciences, U.S. DOE
under Contract No. DE-AC02-05CH11231.
NR 56
TC 0
Z9 0
U1 6
U2 18
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 2016
VL 45
IS 1
BP 384
EP 391
DI 10.1039/c5dt03532e
PG 8
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA CY5DT
UT WOS:000366429000041
PM 26609903
ER
PT J
AU Gilbert, JA
Alverdy, J
AF Gilbert, Jack A.
Alverdy, John
TI Stool consistency as a major confounding factor affecting microbiota
composition: an ignored variable?
SO GUT
LA English
DT Editorial Material
ID COMMUNITY
C1 [Gilbert, Jack A.] Argonne Natl Lab, Biosci Div BIO, Argonne, IL 60439 USA.
[Gilbert, Jack A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA.
[Gilbert, Jack A.; Alverdy, John] Univ Chicago, Dept Surg, Chicago, IL 60637 USA.
[Gilbert, Jack A.] Univ Chicago, Inst Genom & Syst Biol, Chicago, IL 60637 USA.
[Gilbert, Jack A.] Marine Biol Lab, Woods Hole, MA 02543 USA.
RP Gilbert, JA (reprint author), Argonne Natl Lab, Biosci Div BIO, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM gilbertjack@uchciago.edu
NR 8
TC 2
Z9 2
U1 1
U2 6
PU BMJ PUBLISHING GROUP
PI LONDON
PA BRITISH MED ASSOC HOUSE, TAVISTOCK SQUARE, LONDON WC1H 9JR, ENGLAND
SN 0017-5749
EI 1468-3288
J9 GUT
JI Gut
PD JAN
PY 2016
VL 65
IS 1
BP 1
EP +
DI 10.1136/gutjnl-2015-310043
PG 2
WC Gastroenterology & Hepatology
SC Gastroenterology & Hepatology
GA CY4TE
UT WOS:000366400500001
PM 26187505
ER
PT J
AU Wohlberg, B
AF Wohlberg, Brendt
TI Efficient Algorithms for Convolutional Sparse Representations
SO IEEE TRANSACTIONS ON IMAGE PROCESSING
LA English
DT Article
DE Sparse representation; sparse coding; dictionary learning; convolutional
sparse representation; ADMM
ID SHIFT-INVARIANT REPRESENTATIONS; NATURAL IMAGES; CONSTRAINED
OPTIMIZATION; MULTISCALE DICTIONARY; PURSUIT; INVERSE; SIGNALS; SYSTEMS;
DESIGN; MUSIC
AB When applying sparse representation techniques to images, the standard approach is to independently compute the representations for a set of overlapping image patches. This method performs very well in a variety of applications, but results in a representation that is multi-valued and not optimized with respect to the entire image. An alternative representation structure is provided by a convolutional sparse representation, in which a sparse representation of an entire image is computed by replacing the linear combination of a set of dictionary vectors by the sum of a set of convolutions with dictionary filters. The resulting representation is both single-valued and jointly optimized over the entire image. While this form of a sparse representation has been applied to a variety of problems in signal and image processing and computer vision, the computational expense of the corresponding optimization problems has restricted application to relatively small signals and images. This paper presents new, efficient algorithms that substantially improve on the performance of other recent methods, contributing to the development of this type of representation as a practical tool for a wider range of problems.
C1 [Wohlberg, Brendt] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RP Wohlberg, B (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM brendt@ieee.org
RI Wohlberg, Brendt/M-7764-2015
OI Wohlberg, Brendt/0000-0002-4767-1843
FU U.S. Department of Energy through LANL/LDRD Program; UC Lab Fees
Research grant [12-LR-236660]
FX This research was supported by the U.S. Department of Energy through the
LANL/LDRD Program, and by UC Lab Fees Research grant 12-LR-236660. The
associate editor coordinating the review of this manuscript and
approving it for publication was Prof. Weisi Lin.
NR 67
TC 10
Z9 10
U1 3
U2 31
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 1057-7149
EI 1941-0042
J9 IEEE T IMAGE PROCESS
JI IEEE Trans. Image Process.
PD JAN
PY 2016
VL 25
IS 1
BP 301
EP 315
DI 10.1109/TIP.2015.2495260
PG 15
WC Computer Science, Artificial Intelligence; Engineering, Electrical &
Electronic
SC Computer Science; Engineering
GA CY6ZZ
UT WOS:000366558900003
PM 26529765
ER
PT J
AU Luscher, DJ
Mayeur, JR
Mourad, HM
Hunter, A
Kenamond, MA
AF Luscher, D. J.
Mayeur, J. R.
Mourad, H. M.
Hunter, A.
Kenamond, M. A.
TI Coupling continuum dislocation transport with crystal plasticity for
application to shock loading conditions
SO INTERNATIONAL JOURNAL OF PLASTICITY
LA English
DT Article
DE Crystal plasticity; Shock waves; Dislocations; Dynamics
ID NONLINEAR ANISOTROPIC DESCRIPTION; CRYSTALLOGRAPHIC TEXTURE;
CONSTITUTIVE MODEL; SINGLE-CRYSTALS; FCC METALS; THERMOMECHANICAL
RESPONSE; NUMERICAL IMPLEMENTATION; MICROMORPHIC APPROACH; GRADIENT
THEORY; STRAIN RATES
AB We have developed a multi-physics modeling approach that couples continuum dislocation transport, nonlinear thermoelasticity, crystal plasticity, and consistent internal stress and deformation fields to simulate the single-crystal response of materials under extreme dynamic conditions. Dislocation transport is modeled by enforcing dislocation conservation at a slip-system level through the solution of advection-diffusion equations. Nonlinear thermoelasticity provides a thermodynamically consistent equation of state to relate stress (including pressure), temperature, energy densities, and dissipation. Crystal plasticity is coupled to dislocation transport via Orowan's expression where the constitutive description makes use of recent advances in dislocation velocity theories applicable under extreme loading conditions. The configuration of geometrically necessary dislocation density gives rise to an internal stress field that can either inhibit or accentuate the flow of dislocations. An internal strain field associated with the internal stress field contributes to the kinematic decomposition of the overall deformation. The paper describes each theoretical component of the framework, key aspects of the constitutive theory, and some details of a one-dimensional implementation. Results from single-crystal copper plate impact simulations are discussed in order to highlight the role of dislocation transport and pile-up in shock loading regimes. The main conclusions of the paper reinforce the utility of the modeling approach to shock problems. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Luscher, D. J.; Mayeur, J. R.; Mourad, H. M.] Los Alamos Natl Lab, Div Theoret, Fluid Dynam & Solid Mech Grp, Los Alamos, NM 87545 USA.
[Hunter, A.; Kenamond, M. A.] Los Alamos Natl Lab, Computat Phys Div, Lagrangian Codes Grp, Los Alamos, NM USA.
RP Luscher, DJ (reprint author), Los Alamos Natl Lab, Div Theoret, Fluid Dynam & Solid Mech Grp, Los Alamos, NM 87545 USA.
EM djl@lanl.gov
OI Luscher, Darby/0000-0003-2929-6119
FU U.S. Department of Energy through LANL Laboratory Directed Research
Development Program (LDRD) [DE-AC52-06NA25396]; [LDRD-ER-140645]
FX Insightful comments made by the reviewers were helpful in improving the
communication of this work. The authors gratefully acknowledge the
support of the U.S. Department of Energy under contract
DE-AC52-06NA25396 through the LANL Laboratory Directed Research
Development Program (LDRD) and, in particular, funding for the
exploratory research project (LDRD-ER-140645) on modeling Materials for
the Future.
NR 85
TC 5
Z9 5
U1 7
U2 30
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 2016
VL 76
BP 111
EP 129
DI 10.1016/j.ijplas.2015.07.007
PG 19
WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics
SC Engineering; Materials Science; Mechanics
GA CY5HX
UT WOS:000366439800005
ER
PT J
AU Ruvindy, R
White, RA
Neilan, BA
Burns, BP
AF Ruvindy, Rendy
White, Richard Allen, III
Neilan, Brett Anthony
Burns, Brendan Paul
TI Unravelling core microbial metabolisms in the hypersaline microbial mats
of Shark Bay using high-throughput metagenomics
SO ISME JOURNAL
LA English
DT Article
ID MODERN MARINE STROMATOLITES; ARCHAEON HALOCOCCUS-HAMELINENSIS;
SULFATE-REDUCING BACTERIA; FRESH-WATER MICROBIALITES; WESTERN-AUSTRALIA;
CUATRO CIENEGAS; HIGHBORNE CAY; SP-NOV.; DIVERSITY; SEQUENCE
AB Modern microbial mats are potential analogues of some of Earth's earliest ecosystems. Excellent examples can be found in Shark Bay, Australia, with mats of various morphologies. To further our understanding of the functional genetic potential of these complex microbial ecosystems, we conducted for the first time shotgun metagenomic analyses. We assembled metagenomic next-generation sequencing data to classify the taxonomic and metabolic potential across diverse morphologies of marine mats in Shark Bay. The microbial community across taxonomic classifications using protein-coding and small subunit rRNA genes directly extracted from the metagenomes suggests that three phyla Proteobacteria, Cyanobacteria and Bacteriodetes dominate all marine mats. However, the microbial community structure between Shark Bay and Highbourne Cay (Bahamas) marine systems appears to be distinct from each other. The metabolic potential (based on SEED subsystem classifications) of the Shark Bay and Highbourne Cay microbial communities were also distinct. Shark Bay metagenomes have a metabolic pathway profile consisting of both heterotrophic and photosynthetic pathways, whereas Highbourne Cay appears to be dominated almost exclusively by photosynthetic pathways. Alternative non-rubisco-based carbon metabolism including reductive TCA cycle and 3-hydroxypropionate/4-hydroxybutyrate pathways is highly represented in Shark Bay metagenomes while not represented in Highbourne Cay microbial mats or any other mat forming ecosystems investigated to date. Potentially novel aspects of nitrogen cycling were also observed, as well as putative heavy metal cycling (arsenic, mercury, copper and cadmium). Finally, archaea are highly represented in Shark Bay and may have critical roles in overall ecosystem function in these modern microbial mats.
C1 [Ruvindy, Rendy; Neilan, Brett Anthony; Burns, Brendan Paul] Univ New S Wales, Sch Biotechnol & Biomol Sci, Sydney, NSW 2052, Australia.
[Ruvindy, Rendy; Neilan, Brett Anthony; Burns, Brendan Paul] Univ New S Wales, Australian Ctr Astrobiol, Sydney, NSW, Australia.
[White, Richard Allen, III] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Burns, BP (reprint author), Univ New S Wales, Sch Biotechnol & Biomol Sci, Sydney, NSW 2052, Australia.
EM brendan.burns@unsw.edu.au
OI BURNS, BRENDAN/0000-0002-2962-2597
FU Australian Research Council
FX This work was funded by the Australian Research Council. Metagenomic
sequencing was undertaken at the Ramaciotti Centre for Genomics. Special
thanks to Niels W Hanson and Kishori M Konwar for python and R scripts
for parsing metapathways data.
NR 73
TC 5
Z9 5
U1 15
U2 62
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1751-7362
EI 1751-7370
J9 ISME J
JI ISME J.
PD JAN
PY 2016
VL 10
IS 1
BP 183
EP 196
DI 10.1038/ismej.2015.87
PG 14
WC Ecology; Microbiology
SC Environmental Sciences & Ecology; Microbiology
GA CY8PR
UT WOS:000366671300018
PM 26023869
ER
PT J
AU Beam, JP
Jay, ZJ
Schmid, MC
Rusch, DB
Romine, MF
Jennings, RD
Kozubal, MA
Tringe, SG
Wagner, M
Inskeep, WP
AF Beam, Jacob P.
Jay, Zackary J.
Schmid, Markus C.
Rusch, Douglas B.
Romine, Margaret F.
Jennings, Ryan de M.
Kozubal, Mark A.
Tringe, Susannah G.
Wagner, Michael
Inskeep, William P.
TI Ecophysiology of an uncultivated lineage of Aigarchaeota from an oxic,
hot spring filamentous 'streamer' community
SO ISME JOURNAL
LA English
DT Article
ID YELLOWSTONE-NATIONAL-PARK; HYDROGEN-PEROXIDE; RIBOSOMAL-RNA;
OLIGONUCLEOTIDE PROBES; MICROBIAL COMMUNITIES; CO DEHYDROGENASE;
HIGH-TEMPERATURE; GOLD MINE; ARCHAEA; INSIGHTS
AB The candidate archaeal phylum 'Aigarchaeota' contains microorganisms from terrestrial and subsurface geothermal ecosystems. The phylogeny and metabolic potential of Aigarchaeota has been deduced from several recent single-cell amplified genomes; however, a detailed description of their metabolic potential and in situ transcriptional activity is absent. Here, we report a comprehensive metatranscriptome-based reconstruction of the in situ metabolism of Aigarchaeota in an oxic, hot spring filamentous 'streamer' community. Fluorescence in situ hybridization showed that these newly discovered Aigarchaeota are filamentous, which is consistent with the presence and transcription of an actin-encoding gene. Aigarchaeota filaments are intricately associated with other community members, which include both bacteria (for example, filamentous Thermocrinis spp.) and archaea. Metabolic reconstruction of genomic and metatranscriptomic data suggests that this aigarchaeon is an aerobic, chemoorganoheterotroph with autotrophic potential. A heme copper oxidase complex was identified in the environmental genome assembly and highly transcribed in situ. Potential electron donors include acetate, fatty acids, amino acids, sugars and aromatic compounds, which may originate from extracellular polymeric substances produced by other microorganisms shown to exist in close proximity and/or autochthonous dissolved organic carbon (OC). Transcripts related to genes specific to each of these potential electron donors were identified, indicating that this aigarchaeon likely utilizes several OC substrates. Characterized members of this lineage cannot synthesize heme, and other cofactors and vitamins de novo, which suggests auxotrophy. We propose the name Candidatus 'Calditenuis aerorheumensis' for this aigarchaeon, which describes its filamentous morphology and its primary electron acceptor, oxygen.
C1 [Beam, Jacob P.; Jay, Zackary J.; Jennings, Ryan de M.; Kozubal, Mark A.; Inskeep, William P.] Montana State Univ, Thermal Biol Inst, Bozeman, MT 59717 USA.
[Beam, Jacob P.; Jay, Zackary J.; Jennings, Ryan de M.; Kozubal, Mark A.; Inskeep, William P.] Montana State Univ, Dept Land Resources & Environm Sci, Bozeman, MT 59717 USA.
[Schmid, Markus C.; Wagner, Michael] Univ Vienna, Divison Microbial Ecol, Vienna, Austria.
[Rusch, Douglas B.] Indiana Univ, Ctr Genom & Bioinformat, Bloomington, IN USA.
[Romine, Margaret F.; Inskeep, William P.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Kozubal, Mark A.] Sustainable Bioprod LLC, Bozeman, MT USA.
[Tringe, Susannah G.] Joint Genome Inst, Dept Energy, Walnut Creek, CA USA.
RP Inskeep, WP (reprint author), Montana State Univ, Thermal Biol Inst, 334 Leon Johnson Hall, Bozeman, MT 59717 USA.
EM binskeep@montana.edu
RI Wagner, Michael/A-7801-2011;
OI Wagner, Michael/0000-0002-9778-7684; Romine,
Margaret/0000-0002-0968-7641
FU Department of Energy (DOE)-Pacific Northwest National Laboratory
Foundational Science Focus Area in Biological Interactions [112443];
DOE-Joint Genome Institute Community Sequencing Projects [CSP 787081,
787701]; National Science Foundation-Integrative Graduate Education and
Traineeship Program [DGE 0654336]; European Research Council [NITRICARE
294343]; Office of Science of the US DOE [DE-AC02-05CH11231]; NSF-MRI
Program; M.J. Murdock Charitable Trust; Library's Author Fund at Montana
State University
FX This work was supported by the Department of Energy (DOE)-Pacific
Northwest National Laboratory Foundational Science Focus Area in
Biological Interactions (Subcontract 112443), the DOE-Joint Genome
Institute Community Sequencing Projects (CSP 787081 and 787701), the
National Science Foundation-Integrative Graduate Education and
Traineeship Program (JPB, ZJJ and R de MJ; DGE 0654336), and an Advanced
Grant of the European Research Council to MW (MCS and MW; NITRICARE
294343). The work conducted by the Department of Energy-Joint Genome
Institute, a DOE Office of Science User Facility, was supported by the
Office of Science of the US DOE (contract no. DE-AC02-05CH11231). We
appreciate Brian Hedlund and Tim Alba for data sharing, Christie Hendrix
and Stacey Gunther (YNP Center for Resources) for research permitting in
YNP (permits YELL-SCI-5068 and -5686) and Betsey Pitts for cryosection
instruction and helpful comments on confocal microscopy. FISH images
were taken at microscope facilities at the Center for Biofilm
Engineering (Montana State University) funded by the NSF-MRI Program and
the M.J. Murdock Charitable Trust. The open access fees were generously
provided by the Library's Author Fund at Montana State University.
NR 62
TC 4
Z9 4
U1 3
U2 12
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1751-7362
EI 1751-7370
J9 ISME J
JI ISME J.
PD JAN
PY 2016
VL 10
IS 1
BP 210
EP 224
DI 10.1038/ismej.2015.83
PG 15
WC Ecology; Microbiology
SC Environmental Sciences & Ecology; Microbiology
GA CY8PR
UT WOS:000366671300020
PM 26140529
ER
PT J
AU Tennessen, K
Andersen, E
Clingenpeel, S
Rinke, C
Lundberg, DS
Han, J
Dangl, JL
Ivanova, N
Woyke, T
Kyrpides, N
Pati, A
AF Tennessen, Kristin
Andersen, Evan
Clingenpeel, Scott
Rinke, Christian
Lundberg, Derek S.
Han, James
Dangl, Jeff L.
Ivanova, Natalia
Woyke, Tanja
Kyrpides, Nikos
Pati, Amrita
TI ProDeGe: a computational protocol for fully automated decontamination of
genomes
SO ISME JOURNAL
LA English
DT Article
ID IDENTIFICATION
AB Single amplified genomes and genomes assembled from metagenomes have enabled the exploration of uncultured microorganisms at an unprecedented scale. However, both these types of products are plagued by contamination. Since these genomes are now being generated in a high-throughput manner and sequences from them are propagating into public databases to drive novel scientific discoveries, rigorous quality controls and decontamination protocols are urgently needed. Here, we present ProDeGe (Protocol for fully automated Decontamination of Genomes), the first computational protocol for fully automated decontamination of draft genomes. ProDeGe classifies sequences into two classes-clean and contaminant-using a combination of homology and feature-based methodologies. On average, 84% of sequence from the non-target organism is removed from the data set (specificity) and 84% of the sequence from the target organism is retained (sensitivity). The procedure operates successfully at a rate of similar to 0.30 CPU core hours per megabase of sequence and can be applied to any type of genome sequence.
C1 [Tennessen, Kristin; Andersen, Evan; Clingenpeel, Scott; Rinke, Christian; Han, James; Ivanova, Natalia; Woyke, Tanja; Kyrpides, Nikos; Pati, Amrita] Joint Genome Inst, Dept Energy, Prokaryot Super Program, Walnut Creek, CA 94598 USA.
[Lundberg, Derek S.] Univ N Carolina, Dept Biol & Curriculum Genet, Chapel Hill, NC USA.
[Dangl, Jeff L.] Univ N Carolina, Dept Biol, Chapel Hill, NC USA.
[Dangl, Jeff L.] Univ N Carolina, Curriculum Genet, Howard Hughes Med Inst, Chapel Hill, NC USA.
RP Tennessen, K (reprint author), Joint Genome Inst, Dept Energy, Prokaryot Super Program, 2800 Mitchell Dr, Walnut Creek, CA 94598 USA.
EM ktennessen@lbl.gov
RI Kyrpides, Nikos/A-6305-2014;
OI Kyrpides, Nikos/0000-0002-6131-0462; Ivanova,
Natalia/0000-0002-5802-9485
FU Office of Science of the US Department of Energy [DEAC02-05CH11231]; NSF
Microbial Systems Biology grant [IOS-0958245]; DOE Plant Feedstocks
grant [DOE-SC0010423]; NIH Training Grant [T32 GM07092-34]; Howard
Hughes Medical Institute; Gordon and Betty Moore Foundation [GBMF3030]
FX The work conducted by the US Department of Energy Joint Genome Institute
(KT, EA, SC, CR, JH, NI, TW, NK, AP) is supported by the Office of
Science of the US Department of Energy under Contract No.
DEAC02-05CH11231. SC and JLD were supported by NSF Microbial Systems
Biology grant IOS-0958245 and DOE Plant Feedstocks grant DOE-SC0010423.
DSL was supported by NIH Training Grant T32 GM07092-34. JLD is an
Investigator of the Howard Hughes Medical Institute and support was
provided by the Howard Hughes Medical Institute and the Gordon and Betty
Moore Foundation (in part via Grant GBMF3030 to JLD).
NR 20
TC 5
Z9 5
U1 2
U2 7
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1751-7362
EI 1751-7370
J9 ISME J
JI ISME J.
PD JAN
PY 2016
VL 10
IS 1
BP 269
EP 272
DI 10.1038/ismej.2015.100
PG 4
WC Ecology; Microbiology
SC Environmental Sciences & Ecology; Microbiology
GA CY8PR
UT WOS:000366671300025
PM 26057843
ER
PT J
AU Moore, JS
Xantheas, SS
Grate, JW
Wietsma, TW
Gratton, E
Vasdekis, AE
AF Moore, Jayven S.
Xantheas, Sotiris S.
Grate, Jay W.
Wietsma, Thomas W.
Gratton, Enrico
Vasdekis, Andreas E.
TI Modular Polymer Biosensors by Solvent Immersion Imprint Lithography
SO JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS
LA English
DT Article
DE films; gels; imaging; optics; photophysics; sensors
ID OPTICAL-FIBER SENSOR; OXYGEN SENSORS; CHEMICAL SENSORS; DISSOLUTION
AB We recently demonstrated Solvent Immersion Imprint Lithography (SIIL), a rapid benchtop microsystem prototyping technique, including polymer functionalization, imprinting and bonding. Here, we focus on the realization of planar polymer sensors using SIIL through simple solvent immersion without imprinting. We describe SIIL's impregnation characteristics, including an inherent mechanism that not only achieves practical doping concentrations, but their unexpected 2-fold enhancement compared to the immersion solution. Subsequently, we developed and characterized optical sensors for detecting molecular O-2. To this end, a substantially high dynamic range is reported, including its control through the immersion duration, a manifestation of SIIL's modularity. Overall, SIIL exhibits the potential of improving the operating characteristics of polymer sensors, while significantly accelerating their prototyping, as it requires a few seconds of processing and no need for substrates or dedicated instrumentation. These are critical for O-2 sensing as probed by way of example here, as well as any polymer permeable reactant. (C) 2015 Wiley Periodicals, Inc.
C1 [Moore, Jayven S.; Wietsma, Thomas W.; Vasdekis, Andreas E.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
[Xantheas, Sotiris S.; Grate, Jay W.] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
[Gratton, Enrico] Univ Calif Irvine, Dept Biomed Engn, Fluorescence Dynam Lab, Irvine, CA 92697 USA.
[Vasdekis, Andreas E.] Univ Idaho, Dept Phys, Moscow, ID 83844 USA.
RP Vasdekis, AE (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
EM andreasv@uidaho.edu
OI Vasdekis, Andreas/0000-0003-4315-1047; Xantheas,
Sotiris/0000-0002-6303-1037
FU Pacific Northwest National Laboratory (Linus Pauling Fellowship - LDRD)
[PN12005/2406]; INBRE Program, NIH Grant (National Institute of General
Medicine Sciences) [P20 GM103408]; Department of Energy's Office of
Biological and Environmental Research; US Department of Energy, Office
of Science, Office of Basic Energy Sciences, Division of Chemical
Sciences, Geosciences and Biosciences; NIH [P41-GM103540]; Laboratory
Directed Research and Development Program at Pacific Northwest National
Laboratory (PNNL)
FX AEV gratefully acknowledges funding from the Pacific Northwest National
Laboratory (Linus Pauling Fellowship - LDRD project ID: PN12005/2406),
as well as from the INBRE Program, NIH Grant (National Institute of
General Medicine Sciences - Project ID: P20 GM103408). Part of the
research was performed using 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 (proposal ID: 48924). SSX was supported by the US Department
of Energy, Office of Science, Office of Basic Energy Sciences, Division
of Chemical Sciences, Geosciences and Biosciences. Pacific Northwest
National Laboratory (PNNL) is a multiprogram national laboratory
operated for DOE by Battelle. EG acknowledges funding from NIH
P41-GM103540 and JWG partial support by the Laboratory Directed Research
and Development Program at Pacific Northwest National Laboratory (PNNL)
in a technology supporting program.
NR 33
TC 2
Z9 2
U1 3
U2 7
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 1
PY 2016
VL 54
IS 1
BP 98
EP 103
DI 10.1002/polb.23961
PG 6
WC Polymer Science
SC Polymer Science
GA CY6HI
UT WOS:000366509300011
PM 27867256
ER
PT J
AU Allison, PG
Seiter, JM
Diaz, A
Lindsay, JH
Moser, RD
Tappero, RV
Kennedy, AJ
AF Allison, Paul G.
Seiter, Jennifer M.
Diaz, Alfredo
Lindsay, James H.
Moser, Robert D.
Tappero, Ryan V.
Kennedy, Alan J.
TI Gastropod (Otala lactea) shell nanomechanical and structural
characterization as a biomonitoring tool for dermal and dietary exposure
to a model metal
SO JOURNAL OF THE MECHANICAL BEHAVIOR OF BIOMEDICAL MATERIALS
LA English
DT Article
DE Biomonitoring; Gastropod; Nanoindentation; Synchrotron; Heavy Metal;
X-ray
ID HEAVY-METALS; MECHANICAL-PROPERTIES; MOLLUSCAN SHELL; BIOACCUMULATION;
TUNGSTEN; POLLUTION; SEA; BIOAVAILABILITY; ACCUMULATION; PERFORMANCE
AB Metallic tungsten (W) was initially assumed to be environmentally benign and a green alternative to lead. However, subsequent investigations showed that fishing weights and munitions containing elemental W can fragment and oxidize into complex monomeric and polymeric tungstate (WO4) species in the environment; this led to increased solubility and mobility in soils and increased bioaccumulation potential in plant and animal tissues. Here we expand on the results of our previous research, which examined tungsten toxicity, bioaccumulation, and compartmentalization into organisms, and present in this research that the bioaccumulation of W was related to greater than 50% reduction in the mechanical properties of the snail (Otala lactea), based on depth-sensing nanoindentation. Synchrotron-based X-ray fluorescence maps and X-ray diffraction measurements confirm the integration of Win newly formed layers of the shell matrix with the observed changes in shell biomechanical properties, mineralogical composition, and crystal orientation. With further development, this technology could be employed as a biomonitoring tool for historic metals contamination since unlike the more heavily studied bioaccumulation into soft tissue, shell tissue does not actively eliminate contaminants. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Allison, Paul G.] Univ Alabama, Dept Mech Engn, Tuscaloosa, AL 35406 USA.
[Seiter, Jennifer M.; Lindsay, James H.; Kennedy, Alan J.] US Army Engineer Res & Dev Ctr, Environm Lab, Vicksburg, MS 39180 USA.
[Diaz, Alfredo] Univ Puerto Rico, Dept Mech Engn, Mayaguez, PR 00681 USA.
[Moser, Robert D.] US Army Engineer Res & Dev Ctr, Geotech & Struct Lab, Vicksburg, MS 39180 USA.
[Tappero, Ryan V.] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA.
RP Allison, PG (reprint author), Univ Alabama, Dept Mech Engn, Box 870276, Tuscaloosa, AL 35406 USA.
EM pallison@eng.ua.edu
FU Army Environmental Quality Technology Basic Research Program
[EQI-10-42]; U.S. Department of Energy (DOE) - Geosciences
[DE-FG02-92ER14244]; DOE, Office of Science, Office of Basic Energy
Sciences [DE-AC02-98CH10886]
FX This work was funded by the Army Environmental Quality Technology Basic
Research Program (EQI-10-42) (US Army Engineer Research and Development
Center, Dr. Elizabeth Ferguson, Technical Director). Portions of this
work were performed at Beamline X27A, National Synchrotron Light Source
(NSLS), Brookhaven National Laboratory. X27A is supported in part by the
U.S. Department of Energy (DOE) - Geosciences (DE-FG02-92ER14244 to the
University of Chicago - CARS). Use of the NSLS was supported by the DOE,
Office of Science, Office of Basic Energy Sciences, under Contract no.
DE-AC02-98CH10886. Permission to publish granted by Director of the
Geotechnical and Structures Laboratory.
NR 49
TC 0
Z9 0
U1 5
U2 15
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1751-6161
EI 1878-0180
J9 J MECH BEHAV BIOMED
JI J. Mech. Behav. Biomed. Mater.
PD JAN
PY 2016
VL 53
BP 142
EP 150
DI 10.1016/j.jmbbm.2015.08.016
PG 9
WC Engineering, Biomedical; Materials Science, Biomaterials
SC Engineering; Materials Science
GA CY2GJ
UT WOS:000366226500013
PM 26318574
ER
PT J
AU Beasley, JC
AF Beasley, James C.
TI Human Diseases from Wildlife
SO JOURNAL OF WILDLIFE MANAGEMENT
LA English
DT Book Review
C1 [Beasley, James C.] Univ Georgia, Savannah River Ecol Lab, DB Warnell Sch Forestry & Nat Resources, Aiken, SC 29802 USA.
RP Beasley, JC (reprint author), Univ Georgia, Savannah River Ecol Lab, DB Warnell Sch Forestry & Nat Resources, PO Drawer E, Aiken, SC 29802 USA.
EM beasley@srel.uga.edu
NR 1
TC 0
Z9 0
U1 3
U2 4
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0022-541X
EI 1937-2817
J9 J WILDLIFE MANAGE
JI J. Wildl. Manage.
PD JAN
PY 2016
VL 80
IS 1
BP 181
EP 182
DI 10.1002/jwmg.996
PG 2
WC Ecology; Zoology
SC Environmental Sciences & Ecology; Zoology
GA CY6OC
UT WOS:000366527700018
ER
PT J
AU Liu, ZK
Yang, LX
Sun, Y
Zhang, T
Peng, H
Yang, HF
Chen, C
Zhang, Y
Guo, YF
Prabhakaran, D
Schmidt, M
Hussain, Z
Mo, SK
Felser, C
Yan, B
Chen, YL
AF Liu, Z. K.
Yang, L. X.
Sun, Y.
Zhang, T.
Peng, H.
Yang, H. F.
Chen, C.
Zhang, Y.
Guo, Y. F.
Prabhakaran, D.
Schmidt, M.
Hussain, Z.
Mo, S. -K.
Felser, C.
Yan, B.
Chen, Y. L.
TI Evolution of the Fermi surface of Weyl semimetals in the transition
metal pnictide family
SO NATURE MATERIALS
LA English
DT Article
ID TOPOLOGICAL DIRAC SEMIMETAL; DISCOVERY; ARCS; TAAS
AB Topological Weyl semimetals (TWSs) represent a novel state of topological quantum matter(1-4) which not only possesses Weyl fermions (massless chiral particles that can be viewed as magnetic monopoles in momentum space) in the bulk and unique Fermi arcs generated by topological surface states, but also exhibits appealing physical properties such as extremely large magnetoresistance and ultra-high carrier mobility(5-8). Here, by performing angle-resolved photoemission spectroscopy (ARPES) on NbP and TaP, we directly observed their band structures with characteristic Fermi arcs of TWSs. Furthermore, by systematically investigating NbP, TaP and TaAs from the same transition metal monopnictide family, we discovered their Fermiology evolution with spin-orbit coupling (SOC) strength. Our experimental findings not only reveal the mechanism to realize and fine-tune the electronic structures of TWSs, but also provide a rich material base for exploring many exotic physical phenomena (for example, chiral magnetic effects, negative magnetoresistance, and the quantum anomalous Hall effect) and novel future applications(3,4,9-11).
C1 [Liu, Z. K.; Guo, Y. F.; Yan, B.; Chen, Y. L.] ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 200031, Peoples R China.
[Liu, Z. K.; Guo, Y. F.; Yan, B.; Chen, Y. L.] CAS Shanghai Sci Res Ctr, Shanghai 201203, Peoples R China.
[Liu, Z. K.; Chen, Y. L.] Diamond Light Source, Didcot OX11 0QX, Oxon, England.
[Yang, L. X.; Zhang, T.; Chen, Y. L.] Tsinghua Univ, Collaborat Innovat Ctr Quantum Matter, State Key Lab Low Dimens Quantum Phys, Beijing 100084, Peoples R China.
[Yang, L. X.; Zhang, T.; Chen, Y. L.] Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China.
[Yang, L. X.; Zhang, T.; Peng, H.; Yang, H. F.; Chen, C.; Guo, Y. F.; Prabhakaran, D.; Chen, Y. L.] Univ Oxford, Dept Phys, Oxford OX1 3PU, England.
[Yang, L. X.; Zhang, Y.; Hussain, Z.; Mo, S. -K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Sun, Y.; Schmidt, M.; Felser, C.; Yan, B.] Max Planck Inst Chem Phys Solids, D-01187 Dresden, Germany.
[Yang, H. F.] Chinese Acad Sci, State Key Lab Funct Mat Informat, SIMIT, Shanghai 200050, Peoples R China.
RP Chen, YL (reprint author), ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 200031, Peoples R China.
EM yulin.chen@physics.ox.ac.uk
RI Mo, Sung-Kwan/F-3489-2013; Zhang, Yi/J-9025-2013; Yang, lexian
/G-1123-2016; Yanfeng, Guo/C-5704-2012; Felser, Claudia/A-5779-2009
OI Mo, Sung-Kwan/0000-0003-0711-8514; Zhang, Yi/0000-0003-1204-8717;
Felser, Claudia/0000-0002-8200-2063
FU EPSRC (UK) [EP/K04074X/1]; DARPA (US) MESO [N66001-11-1-4105]; Deutsche
Forschungsgemeinschaft DFG [EB 518/1-1, DFG-SPP 1666]; ERC [291472];
Department of Energy, Office of Basic Energy Science [DE-AC02-05CH11231]
FX Y.L.C. acknowledges support from the EPSRC (UK) grant EP/K04074X/1 and a
DARPA (US) MESO project (no. N66001-11-1-4105). C.F. and B.Y.
acknowledge financial support by the Deutsche Forschungsgemeinschaft DFG
(Project No. EB 518/1-1 of DFG-SPP 1666 'Topological Insulators') and by
the ERC Advanced Grant (No. 291472 'Idea Heusler'). Advanced Light
Source is operated by Department of Energy, Office of Basic Energy
Science (contract DE-AC02-05CH11231).
NR 27
TC 30
Z9 30
U1 37
U2 146
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 2016
VL 15
IS 1
BP 27
EP +
DI 10.1038/NMAT4457
PG 6
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Applied; Physics, Condensed Matter
SC Chemistry; Materials Science; Physics
GA CY8WY
UT WOS:000366690600015
PM 26524130
ER
PT S
AU Chou, FC
Echols, N
Terwilliger, TC
Das, R
AF Chou, Fang-Chieh
Echols, Nathaniel
Terwilliger, Thomas C.
Das, Rhiju
BE Ennifar, E
TI RNA Structure Refinement Using the ERRASER-Phenix Pipeline
SO NUCLEIC ACID CRYSTALLOGRAPHY: METHODS AND PROTOCOLS
SE Methods in Molecular Biology
LA English
DT Article; Book Chapter
DE RNA structure; Structure prediction; X-ray crystallography; Refinement;
Force field
ID STRUCTURE VALIDATION; ATOMIC-ACCURACY; CRYSTALLOGRAPHY; MOLPROBITY;
PREDICTION; BACKBONE; DENSITY; BINDING; SYSTEM
AB The final step of RNA crystallography involves the fitting of coordinates into electron density maps. The large number of backbone atoms in RNA presents a difficult and tedious challenge, particularly when experimental density is poor. The ERRASER-Phenix pipeline can improve an initial set of RNA coordinates automatically based on a physically realistic model of atomic-level RNA interactions. The pipeline couples diffraction-based refinement in Phenix with the Rosetta-based real-space refinement protocol ERRASER (Enumerative Real-Space Refinement ASsisted by Electron density under Rosetta). The combination of ERRASER and Phenix can improve the geometrical quality of RNA crystallographic models while maintaining or improving the fit to the diffraction data (as measured by R-free). Here we present a complete tutorial for running ERRASER-Phenix through the Phenix GUI, from the command-line, and via an application in the Rosetta On-line Server that Includes Everyone (ROSIE).
C1 [Chou, Fang-Chieh; Das, Rhiju] Stanford Univ, Dept Biochem, Stanford, CA 94305 USA.
[Echols, Nathaniel] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Terwilliger, Thomas C.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
RP Chou, FC (reprint author), Stanford Univ, Dept Biochem, Stanford, CA 94305 USA.
RI Terwilliger, Thomas/K-4109-2012
OI Terwilliger, Thomas/0000-0001-6384-0320
FU Howard Hughes Medical Institute; NIGMS NIH HHS [P01 GM063210, R21
GM102716]
NR 23
TC 3
Z9 3
U1 0
U2 7
PU HUMANA PRESS INC
PI TOTOWA
PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA
SN 1064-3745
BN 978-1-4939-2763-0; 978-1-4939-2762-3
J9 METHODS MOL BIOL
JI Methods Mol. Biol.
PY 2016
VL 1320
BP 269
EP 282
DI 10.1007/978-1-4939-2763-0_17
D2 10.1007/978-1-4939-2763-0
PG 14
WC Biochemical Research Methods; Biochemistry & Molecular Biology;
Crystallography
SC Biochemistry & Molecular Biology; Crystallography
GA BE0OE
UT WOS:000366483300018
PM 26227049
ER
PT J
AU Braig, C
Lochel, H
Firsov, A
Brzhezinskaya, M
Hafner, A
Rehanek, J
Wojcik, M
Macrander, A
Assoufid, L
Erko, A
AF Braig, Christoph
Loechel, Heike
Firsov, Alexander
Brzhezinskaya, Maria
Hafner, Aljosa
Rehanek, Jens
Wojcik, Michael
Macrander, Albert
Assoufid, Lahsen
Erko, Alexei
TI Hard x-ray spectroscopy and imaging by a reflection zone plate in the
presence of astigmatism
SO OPTICS LETTERS
LA English
DT Article
ID PULSES
AB The feasibility of an off-axis x-ray reflection zone plate to perform wavelength-dispersive spectroscopy, on-axis point focusing, and two-dimensional imaging is demonstrated by means of one and the same diffractive optical element (DOE) at a synchrotron radiation facility. The resolving power varies between 3 x 10(1) and 4 x 10(2) in the range of 7.6 keV to 9.0 keV, with its maximum at the design energy of 8.3 keV. This result is verified using an adjustable entrance slit, by which horizontal (H) and vertical (V) focusing to 0.85 mu m(H) and 1.29 mu m(V) is obtained near the sagittal focal plane of the astigmatic configuration. An angular and axial scan proves an accessible field of view of at least 0.6 arcmin x 0.8 arcmin and a focal depth of +/- 0.86 mm. Supported by the grating efficiency of around 17.5% and a very short pulse elongation, future precision x-ray fluorescence and absorption studies of transition metals at their K-edge on an ultrashort timescale could benefit from our findings. (C) 2015 Optical Society of America
C1 [Braig, Christoph; Loechel, Heike; Firsov, Alexander; Brzhezinskaya, Maria; Hafner, Aljosa; Erko, Alexei] Helmholtz Zentrum Berlin Mat & Energie, D-12489 Berlin, Germany.
[Rehanek, Jens] Paul Scherrer Inst, CH-5232 Villigen, Switzerland.
[Wojcik, Michael; Macrander, Albert; Assoufid, Lahsen] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Braig, C (reprint author), Helmholtz Zentrum Berlin Mat & Energie, Albert Einstein Str 15, D-12489 Berlin, Germany.
EM christoph.braig@helmholtz-berlin.de
FU Bundesministerium fur Bildung und Forschung (BMBF) [05K12CB4]; Marie
Curie FP7-Reintegration-Grants within the 7th European Community
Framework Program [PCIG10-GA-2011-297905]; U.S. Department of Energy
(DOE); Office of Science (SC) [DE-AC-02-06CH11357]
FX Bundesministerium fur Bildung und Forschung (BMBF) (05K12CB4); Marie
Curie FP7-Reintegration-Grants within the 7th European Community
Framework Program (PCIG10-GA-2011-297905); U.S. Department of Energy
(DOE); Office of Science (SC) (DE-AC-02-06CH11357).
NR 12
TC 1
Z9 1
U1 1
U2 4
PU OPTICAL SOC AMER
PI WASHINGTON
PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA
SN 0146-9592
EI 1539-4794
J9 OPT LETT
JI Opt. Lett.
PD JAN 1
PY 2016
VL 41
IS 1
BP 29
EP 32
DI 10.1364/OL.41.000029
PG 4
WC Optics
SC Optics
GA CY9WH
UT WOS:000366756500008
PM 26696150
ER
PT J
AU Wang, TY
Xu, S
Hurley, DH
Yue, YN
Wang, XW
AF Wang, Tianyu
Xu, Shen
Hurley, David H.
Yue, Yanan
Wang, Xinwei
TI Frequency-resolved Raman for transient thermal probing and thermal
diffusivity measurement
SO OPTICS LETTERS
LA English
DT Article
ID CONDUCTIVITY; TRANSPORT; GRAPHENE
AB A new transient Raman thermal probing technique, frequency-resolved Raman (FR-Raman), is developed for probing the transient thermal response of materials and measuring their thermal diffusivity. The FR-Raman uses an amplitude-modulated square-wave laser for simultaneous material heating and Raman excitation. The evolution profile of Raman properties: intensity, Raman wavenumber, and emission, against frequency are reconstructed and used for fitting to determine the thermal diffusivity. A microscale silicon (Si) cantilever is used to investigate the capacity of this new technique. The thermal diffusivity is determined as 9.57 x 10(-5) m(2)/s, 11.00 x 10(-5) m(2)/s, and 9.02 x 10(-5) m(2)/s via fitting Raman intensity, wavenumber, and total Raman emission, respectively. The results agree well with literature data. The FR-Raman provides a novel way for transient thermal probing with very high temporal resolution and micrometer-scale spatial resolution. (C) 2015 Optical Society of America
C1 [Wang, Tianyu; Xu, Shen; Wang, Xinwei] Iowa State Univ, Dept Mech Engn, Ames, IA 50010 USA.
[Hurley, David H.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
[Yue, Yanan] Wuhan Univ, Sch Power & Mech Engn, Wuhan 430072, Hubei, Peoples R China.
RP Wang, XW (reprint author), Iowa State Univ, Dept Mech Engn, Ames, IA 50010 USA.
EM david.hurley@inl.gov; xwang3@iastate.edu
RI Xu, Shen/A-6921-2016; Yue, Yanan/E-1609-2015
OI Xu, Shen/0000-0003-4973-3179; Yue, Yanan/0000-0002-3489-3949
FU "Chutian" Scholar Program, Hubei, China; National Natural Science
Foundation of China (NSFC) [51428603]; Office of Nuclear Energy (NE)
[0000671]
FX "Chutian" Scholar Program, Hubei, China; National Natural Science
Foundation of China (NSFC) (51428603); Office of Nuclear Energy (NE)
(0000671).
NR 14
TC 1
Z9 1
U1 6
U2 13
PU OPTICAL SOC AMER
PI WASHINGTON
PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA
SN 0146-9592
EI 1539-4794
J9 OPT LETT
JI Opt. Lett.
PD JAN 1
PY 2016
VL 41
IS 1
BP 80
EP 83
DI 10.1364/OL.41.000080
PG 4
WC Optics
SC Optics
GA CY9WH
UT WOS:000366756500021
PM 26696163
ER
PT J
AU Lu, HY
Price, L
Zhang, Q
AF Lu, Hongyou
Price, Lynn
Zhang, Qi
TI Capturing the invisible resource: Analysis of waste heat potential in
Chinese industry
SO APPLIED ENERGY
LA English
DT Article
DE Waste heat potential; Waste heat to power generation; Industry; China
ID RECOVERY
AB Waste heat recovery and utilization represents a missed opportunity to reduce China's total energy use, decrease carbon dioxide emissions, and improve air quality. Currently, China does not have a standardized or transparent methodology to quantify the waste heat potential in the industrial sector, which accounts for more than two thirds of China's primary energy consumption. This paper presents the results of thermal energy modeling to quantify the technical maximum waste heat potential in three energy-intensive industrial sectors: cement, iron and steel, and glass. In addition, this paper identifies the practical potential for producing electricity from waste heat in these sectors. The analysis finds that the glass sector has the highest waste heat to power generation potential per unit of production basis among the studied sectors. This paper provides key principles for managing waste heat in the industrial sector and key sector characteristics for implementing waste heat to power generation technologies. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Lu, Hongyou; Price, Lynn] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Anal & Environm Impacts Div, Energy Technol Area, Berkeley, CA 94720 USA.
[Zhang, Qi] Northeastern Univ, SEPA Key Lab Ecoind, Shenyang, Liaoning, Peoples R China.
RP Lu, HY (reprint author), 1 Cyclotron Rd,Mailstop 90R2121, Berkeley, CA 94702 USA.
EM hylu@lbl.gov
OI Lu, Hongyou/0000-0003-1399-1977
FU U.S. Department of Energy; Energy Foundation China through the U.S.
Department of Energy [DE-AC02-05CH11231]
FX This work was supported by the U.S. Department of Energy and the Energy
Foundation China through the U.S. Department of Energy under contract
No. DE-AC02-05CH11231.
NR 55
TC 4
Z9 4
U1 3
U2 4
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 2016
VL 161
BP 497
EP 511
DI 10.1016/j.apenergy.2015.10.060
PG 15
WC Energy & Fuels; Engineering, Chemical
SC Energy & Fuels; Engineering
GA CX9YQ
UT WOS:000366063100042
ER
PT J
AU Sheremet, E
Rodriguez, RD
Agapov, AL
Sokolov, AP
Hietschold, M
Zahn, DRT
AF Sheremet, Evgeniya
Rodriguez, Raul D.
Agapov, Alexander L.
Sokolov, Alexei P.
Hietschold, Michael
Zahn, Dietrich R. T.
TI Nanoscale imaging and identification of a four-component carbon sample
SO CARBON
LA English
DT Article
ID ENHANCED RAMAN-SPECTROSCOPY; NANOTUBES; GRAPHENE; SCATTERING; MOLECULES;
GRAPHITE; SPECTRA; FILMS; SERS
AB We demonstrate the unprecedented chemical imaging of individual constituents in a four-component sample made of several carbon allotropes: single-wall carbon nanotubes, graphene oxide, C-50 fullerene, and an organic residue. This represents a significant advance with respect to previous works that were mainly limited to systems with one or two components having very different chemical composition. Despite the spectral and spatial overlap from different components, plasmon-based nanospectroscopy allows the discrimination of all individual carbon nanomaterials here investigated. Among other physical insights such as doping observed in carbon nanotubes, the detailed chemical imaging of graphene oxide reveals higher defect concentration at the flake edges similarly to the case of graphene. We found that the organic residue has either low adsorption or lack of resonant enhancement on GO, in contrast to graphene, suggesting a decreased van der Waals interaction. This report paves the way for routine nanoscale analysis of complex carbon systems with spatial resolution of 15 nm and below. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Sheremet, Evgeniya; Rodriguez, Raul D.; Hietschold, Michael; Zahn, Dietrich R. T.] Tech Univ Chemnitz, Inst Phys, D-09107 Chemnitz, Germany.
[Rodriguez, Raul D.; Zahn, Dietrich R. T.] Cluster Excellence Ctr Adv Elect Dresden Carbon P, Cfaed, Germany.
[Agapov, Alexander L.; Sokolov, Alexei P.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
[Sokolov, Alexei P.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
RP Rodriguez, RD (reprint author), Tech Univ Chemnitz, Inst Phys, D-09107 Chemnitz, Germany.
EM raul.rodriguez@physik.tu-chemnitz.de; sokolov@utk.edu
RI Sheremet, Evgeniya/J-4709-2016; Rodriguez, Raul D./S-5667-2016;
OI Sheremet, Evgeniya/0000-0003-3937-8628; Rodriguez, Raul
D./0000-0003-4016-1469; Zahn, Dietrich RT/0000-0002-8455-4582
FU U.S. Department of Energy (DOE), Office of Science, Basic Energy
Sciences (BES) [ERKCC02]
FX Authors warmly thank Andrey Krayev (AIST-NT, Inc.) for the sample
preparation and invaluable help with the TERS experiments. The team from
Germany is grateful to the DFG Research Unit 1713 SMINT and the Cluster
of Excellence for Advanced Electronics Dresden (cfaed) for financial
support. The US team acknowledges financial support by the U.S.
Department of Energy (DOE), Office of Science, Basic Energy Sciences
(BES) under Award #ERKCC02. This work was performed in the context of
the European COST Action MP1302 Nanospectroscopy.
NR 41
TC 3
Z9 3
U1 0
U2 17
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 2016
VL 96
BP 588
EP 593
DI 10.1016/j.carbon.2015.09.104
PG 6
WC Chemistry, Physical; Materials Science, Multidisciplinary
SC Chemistry; Materials Science
GA CY0EB
UT WOS:000366078000069
ER
PT J
AU Deshrnukh, SA
Narayanan, B
Kamath, G
Pol, VG
Wen, JG
Miller, DJ
Sankaranarayanan, SKRS
AF Deshrnukh, Sanket A.
Narayanan, Badri
Kamath, Ganesh
Pol, Vilas G.
Wen, Jianguo
Miller, Dean J.
Sankaranarayanan, Subramanian K. R. S.
TI Nanoscale origin and evolution of kinetically induced defects in carbon
spheres
SO CARBON
LA English
DT Article
ID THERMAL-DEGRADATION; GRAPHENE LAYERS; POLYETHYLENE; PYROLYSIS;
POLYPROPYLENE; NANOTUBES; PRESSURE; PATHWAYS; PURE
AB Synthesis of carbon nanostructures with controlled defect distribution holds tremendous promise in engineering novel materials for specific device applications and catalysis. Carbon spheres (CS) can be synthesized by controlled thermal pyrolysis of polyethylene (PE) via a series of self-generated pressure reactions. Here, we show that point defect distribution in these CS can be tailored by controlling the kinetics during this synthesis procedure. Using accelerated molecular dynamics, we demonstrate that cooling kinetics during synthesis exercises significant control over the reaction pathways, and consequently, over nucleation and growth of carbon nanostructures. The long-range order of these nanostructures is strongly influenced by the cooling rate. At slower rates <1.4 K/ps, well-ordered carbon onions form with very few defects, while at higher rates >60 K/ps, amorphous carbon with 8-10 membered rings reminiscent of as-quenched carbon melts are seen. In the intermediate regime, the distribution of the defects can be tuned with excellent control. These findings are corroborated by electron microscopy observations of defect formations in synthesized CS. SEM and TEM on CS when cooled from similar to 973 K (700 degrees C) to room temperature indicate smooth surface morphologies with a highly defective structure. In contrast, when cooled from similar to 3073 K (2800 degrees C), rough surfaces with pronounced 6-membered rings graphitic ordering are observed. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Deshrnukh, Sanket A.; Narayanan, Badri; Sankaranarayanan, Subramanian K. R. S.] Argonne Natl Lab, Ctr Nanoscale Mat, Lemont, IL 60439 USA.
[Kamath, Ganesh] Univ Missouri, Dept Chem, Columbia, MO 65211 USA.
[Pol, Vilas G.] Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA.
[Wen, Jianguo; Miller, Dean J.] Argonne Natl Lab, Electron Microscopy Ctr, Ctr Nanoscale Mat, Lemont, IL 60439 USA.
RP Deshrnukh, SA (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, Lemont, IL 60439 USA.
EM sanket@anl.gov; skrssank@anl.gov
OI Narayanan, Badri/0000-0001-8147-1047
FU U. S. Department of Energy, Office of Science, and Office of Basic
Energy Sciences [DE-AC02-06CH11357]; Office of Science of the U.S.
Department of Energy [DE-AC02-05CH11231]; DOE Office of Science User
Facility [DE-AC02-06CH11357]
FX Use of the Center for Nanoscale Materials was supported by the U. S.
Department of Energy, Office of Science, and Office of Basic Energy
Sciences, under Contract No. DE-AC02-06CH11357. 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.
An award of computer time was provided by the Innovative and Novel
Computational Impact on Theory and Experiment (INCITE) program. 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.
NR 59
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U1 8
U2 31
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 2016
VL 96
BP 647
EP 660
DI 10.1016/j.carbon.2015.09.109
PG 14
WC Chemistry, Physical; Materials Science, Multidisciplinary
SC Chemistry; Materials Science
GA CY0EB
UT WOS:000366078000077
ER
PT J
AU Ossler, F
Canton, SE
Wallenberg, LR
Engdahl, A
Seifert, S
Hessler, JP
Tranter, RS
AF Ossler, Frederik
Canton, Sophie E.
Wallenberg, L. Reine
Engdahl, Anders
Seifert, Soenke
Hessler, Jan P.
Tranter, Robert S.
TI Measurements of structures and concentrations of carbon particle species
in premixed flames by the use of in-situ wide angle X-ray scattering
SO CARBON
LA English
DT Article
ID POLYCYCLIC AROMATIC-HYDROCARBONS; LASER-INDUCED FLUORESCENCE;
MOLECULAR-DYNAMICS; GAS-PHASE; ELEVATED-TEMPERATURES; DIAMOND PARTICLES;
SOOT INCEPTION; DIESEL SOOT; NANOPARTICLES; COMBUSTION
AB In-situ wide-angle X-ray scattering (WAXS) measurements have been conducted on atmosphericpressure fuel-rich premixed freely propagating ethylene/oxygen flames with argon and nitrogen dilution. In this work, a novel analysis methodology able to provide quantitative information on soot/carbon particle species and concentrations was tested under heavy sooting conditions. The particle composition and concentrations were retrieved by fitting theoretical calculations of structural components from major molecular and nanometric species to the experimental WAXS data. The results show that argon dilution yields predominantly graphene-like components that are less stacked and amorphous carbon that is less structured than under nitrogen dilution. This finding was later confirmed by electron microscopy analysis on samples extracted from similar flames. In addition, the WAXS showed that most of the carbon present in the flames was bound as particles. These results constitute some of the first in-situ observations on structures and concentrations of carbon species in laboratory burner flames operating without stabilization plates. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Ossler, Frederik] Lund Univ, Combust Phys, SE-22100 Lund, Sweden.
[Canton, Sophie E.] Max Planck Inst Biophys Chem, IFG Struct Dynam Biochem Syst, D-37077 Gottingen, Germany.
[Canton, Sophie E.] Deutsch Elektronensynchrotron DESY, Struct Dynam Ultrashort Pulsed Xrays, FS SCS, D-22607 Hamburg, Germany.
[Wallenberg, L. Reine] Lund Univ, Polymer & Mat Chem, SE-22100 Lund, Sweden.
[Wallenberg, L. Reine] Lund Univ, Ctr Anal & Synth, SE-22100 Lund, Sweden.
[Engdahl, Anders] Lund Univ, MAX IV Lab, SE-22100 Lund, Sweden.
[Seifert, Soenke] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA.
[Hessler, Jan P.; Tranter, Robert S.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Ossler, F (reprint author), Lund Univ, Combust Phys, POB 118, SE-22100 Lund, Sweden.
EM frederik.ossler@forbrf.lth.se
RI Canton, Sophie/A-8432-2016;
OI Engdahl, Anders/0000-0001-6562-0639
FU U. S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-06CH11357]; Office of Basic Energy Sciences, Division
of Chemical Sciences, Geosciences, and Biosciences, U.S. Department of
Energy [DE-AC02-06CH11357]; Swedish Research Council; Crafoord
Foundation; Lund Laser Centre (LLC); Centre of Combustion Science and
Technology (CECOST)
FX We gratefully acknowledge Raghu Sivaramakrishnan and Nicole J. Labbe for
the chemical calculations and the group that installed the silicon
mirror on BESSERC 12- ID-C: Mark A. Beno, Randall E. Winans, Mark S.
Engbretson, Guy Jennings, Charles A. Kurtz, Nadia E. Leyarovska, Lynn W.
Ribaud, and Soenke Seifert. We are grateful for the care taken by
Traffic Analysis Group with regard to the transport of the equipment.
The 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. Robert Tranter is
grateful to Office of Basic Energy Sciences, Division of Chemical
Sciences, Geosciences, and Biosciences, U.S. Department of Energy, under
contract number DE-AC02-06CH11357. We also gratefully acknowledge
Andreas Arvidsson for the automatic fitting calculations based on the
simulated annealing. Frederik Ossler and Sophie E. Canton are grateful
for the support given by the Swedish Research Council, the Crafoord
Foundation, Lund Laser Centre (LLC), and the Centre of Combustion
Science and Technology (CECOST).
NR 67
TC 2
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U1 8
U2 24
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 2016
VL 96
BP 782
EP 798
DI 10.1016/j.carbon.2015.09.081
PG 17
WC Chemistry, Physical; Materials Science, Multidisciplinary
SC Chemistry; Materials Science
GA CY0EB
UT WOS:000366078000092
ER
PT J
AU Bandosz, TJ
Seredych, M
Rodriguez-Castellon, E
Cheng, Y
Daemen, LL
Ramirez-Cuesta, AJ
AF Bandosz, Teresa J.
Seredych, Mykola
Rodriguez-Castellon, Enrique
Cheng, Yongqiang
Daemen, Luke L.
Ramirez-Cuesta, Anibal J.
TI Evidence for CO2 reactive adsorption on nanoporous S- and N-doped carbon
at ambient conditions
SO CARBON
LA English
DT Article
ID METAL-ORGANIC FRAMEWORKS; ACTIVATED CARBONS; SURFACE-CHEMISTRY; SMALL
MICROPORES; POROUS CARBONS; VISIBLE-LIGHT; CAPTURE; DIOXIDE; SPHERES;
CAPACITY
AB CO2 interactions with nanoporous S- and N-doped polymer-derived carbon and commercial wood-based carbon were investigated in a broad range of conditions. The results showed that during CO2 adsorption nitrogen and sulfur species as well as water were released from the carbon surface as a result of chemical reactions of the surface groups with CO2. Inelastic neutron scattering experiments provided the unprecedented ability to characterize very small amounts of CO2 and H2O and revealed for the first time their physical/chemical status in the confined space of nanoporous carbons. The results obtained suggest that the reactivity of the carbon surface should be considered when CO2 storage media are chosen and when CO2 is used as a probe to determine the microporosity of carbon materials. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Bandosz, Teresa J.; Seredych, Mykola] CUNY City Coll, Dept Chem, New York, NY 10031 USA.
[Rodriguez-Castellon, Enrique] Univ Malaga, Dept Quim Inorgan, E-29071 Malaga, Spain.
[Cheng, Yongqiang; Daemen, Luke L.; Ramirez-Cuesta, Anibal J.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA.
RP Bandosz, TJ (reprint author), CUNY City Coll, Dept Chem, 160 Convent Ave, New York, NY 10031 USA.
EM tbandosz@ccny.cuny.edu
RI Ramirez-Cuesta, Timmy/A-4296-2010
OI Ramirez-Cuesta, Timmy/0000-0003-1231-0068
FU Scientific User Facilities Division, Office of Basic Energy Sciences,
U.S. Department of Energy [DE-AC0500OR22725]; UT Battelle, LLC; ARO
[W911NF-10-1-0039]; NSF [CET 1133112]; Spanish Ministry of Economy and
Competitively [CTQ2012-37925-C03-03]; FEDER funds
FX This research benefited from the use of the VISION beamline at ORNL's
Spallation Neutron Source, which is supported by the Scientific User
Facilities Division, Office of Basic Energy Sciences, U.S. Department of
Energy under Contract No. DE-AC0500OR22725 with UT Battelle, LLC. TJB
research was partially funded by ARO (W911NF-10-1-0039) and NSF (CET
1133112). ERC thanks to the Spanish Ministry of Economy and
Competitively (Project CTQ2012-37925-C03-03) and FEDER funds.
NR 58
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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 2016
VL 96
BP 856
EP 863
DI 10.1016/j.carbon.2015.10.007
PG 8
WC Chemistry, Physical; Materials Science, Multidisciplinary
SC Chemistry; Materials Science
GA CY0EB
UT WOS:000366078000100
ER
PT J
AU Zhang, XF
Rao, Y
Guo, JJ
Qin, GW
AF Zhang, Xuefeng
Rao, Yi
Guo, Junjie
Qin, Gaowu
TI Multiple-phase carbon-coated FeSn2/Sn nanocomposites for high-frequency
microwave absorption
SO CARBON
LA English
DT Article
ID WAVE ABSORBER; NANOCAPSULES; OXIDE; ENHANCEMENT; FULLERENES; NANOTUBES;
COMPOSITE; CVD
AB Rapid expansion in microelectronic devices has prompted increasing research efforts in development of high-frequency electromagnetic wave absorption materials. Multiple-phase FeSn2/Sn/Graphite core-shell nanoparticles synthesized by an arc-discharge method, with controllable components and structures, present a typical cloaking feature aroused from the superior electromagnetic wave absorption. Based on transmission line theory, we prove quantitatively that more than 90% of the electromagnetic power can be attenuated at 9-18 GHz. Experimental results coupled with theory calculations by the Cole-Cole equation and the eddy-current model, further reveal that such high performances are originated from the onion-type interfacial architecture at nanoscale and the desirable impedance match resulting from multiple phase components. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Zhang, Xuefeng; Rao, Yi; Qin, Gaowu] Northeastern Univ, Key Lab Anisotropy & Texture Mat MoE, Sch Mat & Engn, Shenyang 110819, Peoples R China.
[Guo, Junjie] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
[Guo, Junjie] Taiyuan Univ Technol, Key Lab Interface Sci & Engn Adv Mat, Minist Educ, Taiyuan 030024, Peoples R China.
RP Zhang, XF (reprint author), Northeastern Univ, Key Lab Anisotropy & Texture Mat MoE, Sch Mat & Engn, Shenyang 110819, Peoples R China.
EM zhangxf@atm.neu.edu.cn; qingw@smm.neu.edu.cn
RI guo, junjie/I-3189-2012; Zhang, Xuefeng/G-1960-2016
OI guo, junjie/0000-0002-3414-3734;
FU National Natural Science Foundation of China [51471045, 51525101,
51501124]; Fundamental Research Funds for the Central Universities
[L1502047]; Northeastern University of China; Changjiang Scholars and
Innovative Research Team in University [IRT0713]; Basic Research Project
in Shanxi Province [2015021071]
FX The authors gratefully acknowledge National Natural Science Foundation
of China (No. 51471045 and No. 51525101), the Fundamental Research Funds
for the Central Universities (No. L1502047) and the start-up funding
supported from the Northeastern University of China and the Changjiang
Scholars and Innovative Research Team in University (No. IRT0713). JJG
gratefully acknowledge the National Natural Science Foundation of China
(51501124) and Basic Research Project in Shanxi Province (2015021071).
NR 38
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U1 21
U2 73
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 2016
VL 96
BP 972
EP 979
DI 10.1016/j.carbon.2015.09.087
PG 8
WC Chemistry, Physical; Materials Science, Multidisciplinary
SC Chemistry; Materials Science
GA CY0EB
UT WOS:000366078000114
ER
PT J
AU Schwarzkopf, JD
Livescu, D
Baltzer, JR
Gore, RA
Ristorcelli, JR
AF Schwarzkopf, J. D.
Livescu, D.
Baltzer, J. R.
Gore, R. A.
Ristorcelli, J. R.
TI A Two-length Scale Turbulence Model for Single-phase Multi-fluid Mixing
SO FLOW TURBULENCE AND COMBUSTION
LA English
DT Article
DE Turbulence; Homogeneous turbulence; Mixing; Variable density; Reynolds
stress; Shear; Rayleigh-Taylor; Richtmyer-Meshkov; DNS; Favre average;
Compressible flows; Density fluctuations; Two-time scale; Two-length
scale; Linear Interaction Approximation; RANS
ID RICHTMYER-MESHKOV INSTABILITY; TAYLOR INSTABILITY; 2ND-MOMENT CLOSURE;
DIRECT SIMULATION; RAYLEIGH-TAYLOR; FLOWS; LAYER; SHOCK; VELOCITY;
DISSIPATION
AB A two-length scale, second moment turbulence model (Reynolds averaged Navier-Stokes, RANS) is proposed to capture a wide variety of single-phase flows, spanning from incompressible flows with single fluids and mixtures of different density fluids (variable density flows) to flows over shock waves. The two-length scale model was developed to address an inconsistency present in the single-length scale models, e.g. the inability to match both variable density homogeneous Rayleigh-Taylor turbulence and Rayleigh-Taylor induced turbulence, as well as the inability to match both homogeneous shear and free shear flows. The two-length scale model focuses on separating the decay and transport length scales, as the two physical processes are generally different in inhomogeneous turbulence. This allows reasonable comparisons with statistics and spreading rates over such a wide range of turbulent flows using a common set of model coefficients. The specific canonical flows considered for calibrating the model include homogeneous shear, single-phase incompressible shear driven turbulence, variable density homogeneous Rayleigh-Taylor turbulence, Rayleigh-Taylor induced turbulence, and shocked isotropic turbulence. The second moment model shows to compare reasonably well with direct numerical simulations (DNS), experiments, and theory in most cases. The model was then applied to variable density shear layer and shock tube data and shows to be in reasonable agreement with DNS and experiments. The importance of using DNS to calibrate and assess RANS type turbulence models is also highlighted.
C1 [Schwarzkopf, J. D.; Livescu, D.; Baltzer, J. R.; Gore, R. A.; Ristorcelli, J. R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Schwarzkopf, JD (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM jschwar@lanl.gov
OI Livescu, Daniel/0000-0003-2367-1547
FU U.S. Department of Energy [DE-AC52-06NA25396]
FX The authors would like to thank the reviewers for constructive comments
that led to an improved manuscript. They would also like to thank T. T.
Clark for fruitful discussions on this subject and R. M. Rauenzahn for
his help with implementing this model into the Eulerian hydrocode used
for model calculations. This work was supported by the U.S. Department
of Energy, subcontract #DE-AC52-06NA25396.
NR 69
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U1 4
U2 12
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 1386-6184
EI 1573-1987
J9 FLOW TURBUL COMBUST
JI Flow Turbul. Combust.
PD JAN
PY 2016
VL 96
IS 1
BP 1
EP 43
DI 10.1007/s10494-015-9643-z
PG 43
WC Thermodynamics; Mechanics
SC Thermodynamics; Mechanics
GA CY0SS
UT WOS:000366116900001
ER
PT B
AU Couse, LJ
Recchia, SL
AF Couse, Leslie J.
Recchia, Susan L.
BE Couse, LJ
Recchia, SL
TI HANDBOOK OF EARLY CHILDHOOD TEACHER EDUCATION INTRODUCTION
SO HANDBOOK OF EARLY CHILDHOOD TEACHER EDUCATION
LA English
DT Editorial Material; Book Chapter
C1 [Couse, Leslie J.] Univ New Hampshire, Educ, Durham, NH 03824 USA.
[Couse, Leslie J.] Geisel Sch Med Dartmouth, Pediat, Dartmouth, NS, Canada.
[Couse, Leslie J.] Dept Educ, New York, NY USA.
[Couse, Leslie J.] US DOE, Off Special Educ, Washington, DC 20585 USA.
[Recchia, Susan L.] Columbia Univ, Integrated Early Childhood Program, Teachers Coll, New York, NY 10027 USA.
[Recchia, Susan L.] Rita Gold Early Childhood Ctr, New York, NY USA.
[Recchia, Susan L.] New York Zero Three Network, Execut Board, New York, NY USA.
RP Couse, LJ (reprint author), Univ New Hampshire, Educ, Durham, NH 03824 USA.
NR 9
TC 0
Z9 0
U1 0
U2 0
PU ROUTLEDGE
PI ABINGDON
PA 2 PARK SQ, MILTON PARK, ABINGDON OX14 4RN, OXFORD, ENGLAND
BN 978-0-415-73676-3; 978-1-315-81824-5; 978-0-415-73675-6
PY 2016
BP XV
EP XVII
PG 3
WC Education & Educational Research
SC Education & Educational Research
GA BD8YZ
UT WOS:000364473800002
ER
PT B
AU Hyson, M
Mitchell, MC
AF Hyson, Marilou
Mitchell, Marica Cox
BE Couse, LJ
Recchia, SL
TI ACCREDITATION AND PATTERNS OF LICENSURE Achieving the Potential
SO HANDBOOK OF EARLY CHILDHOOD TEACHER EDUCATION
LA English
DT Article; Book Chapter
ID EARLY-CHILDHOOD EDUCATION; TEACHERS EDUCATION; CLASSROOM QUALITY;
CERTIFICATION; BELIEFS
C1 [Hyson, Marilou] Univ Penn, Grad Sch Educ, Philadelphia, PA 19104 USA.
[Hyson, Marilou] Univ Massachusetts Boston, Boston, MA USA.
[Hyson, Marilou] Natl Assoc Educ Young Children, Boston, MA USA.
[Hyson, Marilou] Univ Delaware, Dept Individual & Family Studies, Newark, DE 19716 USA.
[Hyson, Marilou] US DOE, Washington, DC 20585 USA.
[Mitchell, Marica Cox] NAEYC, Early Learning Syst, Washington, DC USA.
[Mitchell, Marica Cox] Dist Columbia Off State Superintendent Educ, Early Childhood Profess Dev Unit, Washington, DC USA.
RP Hyson, M (reprint author), Univ Penn, Grad Sch Educ, Philadelphia, PA 19104 USA.
NR 42
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U1 1
U2 1
PU ROUTLEDGE
PI ABINGDON
PA 2 PARK SQ, MILTON PARK, ABINGDON OX14 4RN, OXFORD, ENGLAND
BN 978-0-415-73676-3; 978-1-315-81824-5; 978-0-415-73675-6
PY 2016
BP 69
EP 85
PG 17
WC Education & Educational Research
SC Education & Educational Research
GA BD8YZ
UT WOS:000364473800007
ER
PT B
AU Couse, LJ
AF Couse, Leslie J.
BE Couse, LJ
Recchia, SL
TI ADDRESSING THE NEEDS OF YOUNG CHILDREN WITH DIVERSE ABILITIES AND
DEVELOPMENTAL DIFFERENCES
SO HANDBOOK OF EARLY CHILDHOOD TEACHER EDUCATION
LA English
DT Article; Book Chapter
ID CHILDHOOD TEACHER PREPARATION; 2-AND 4-YEAR INSTITUTIONS;
SPECIAL-EDUCATION; PROFESSIONAL-DEVELOPMENT; EARLY INTERVENTION;
INCLUSION; PROGRAMS; FAMILY; COLLABORATION; DISABILITIES
C1 [Couse, Leslie J.] Univ New Hampshire, Educ, Durham, NH 03824 USA.
[Couse, Leslie J.] Geisel Sch Med Dartmouth, Pediat, Hanover, NH USA.
[Couse, Leslie J.] US DOE, Off Special Educ, Washington, DC 20585 USA.
RP Couse, LJ (reprint author), Univ New Hampshire, Educ, Durham, NH 03824 USA.
NR 82
TC 0
Z9 0
U1 1
U2 2
PU ROUTLEDGE
PI ABINGDON
PA 2 PARK SQ, MILTON PARK, ABINGDON OX14 4RN, OXFORD, ENGLAND
BN 978-0-415-73676-3; 978-1-315-81824-5; 978-0-415-73675-6
PY 2016
BP 257
EP 272
PG 16
WC Education & Educational Research
SC Education & Educational Research
GA BD8YZ
UT WOS:000364473800019
ER
PT J
AU Allen, MB
Brey, RR
Gesell, T
Derryberry, D
Poudel, D
AF Allen, Mark B.
Brey, Richard R.
Gesell, Thomas
Derryberry, Dewayne
Poudel, Deepesh
TI STRONTIUM-90 BIOKINETICS FROM SIMULATEDWOUND INTAKES IN NON-HUMAN
PRIMATES COMPARED WITH COMBINED MODEL PREDICTIONS FROM NATIONAL COUNCIL
ON RADIATION PROTECTION AND MEASUREMENTS REPORT 156 AND INTERNATIONAL
COMMISSION ON RADIOLOGICAL PROTECTION PUBLICATION 67
SO HEALTH PHYSICS
LA English
DT Article
DE Sr-90; dosimetry; internal; laboratory animals; modeling; dose
assessment
ID IDEAS GUIDELINES; STRONTIUM; BONE; DOSIMETRY; AGE
AB This study had a goal to evaluate the predictive capabilities of the National Council on Radiation Protection and Measurements (NCRP) wound model coupled to the International Commission on Radiological Protection (ICRP) systemic model for Sr-90-contaminated wounds using non-human primate data. Studies were conducted on 13 macaque (Macaca mulatta) monkeys, each receiving one-time intramuscular injections of Sr-90 solution. Urine and feces samples were collected up to 28 d post-injection and analyzed for Sr-90 activity. Integrated Modules for Bioassay Analysis (IMBA) software was configured with default NCRP and ICRP model transfer coefficients to calculate predicted Sr-90 intake via the wound based on the radioactivity measured in bioassay samples. The default parameters of the combined models produced adequate fits of the bioassay data, but maximum likelihood predictions of intake were overestimated by a factor of 1.0 to 2.9 when bioassay data were used as predictors. Skeletal retention was also over-predicted, suggesting an underestimation of the excretion fraction. Bayesian statistics and Monte Carlo sampling were applied using IMBA to vary the default parameters, producing updated transfer coefficients for individual monkeys that improved model fit and predicted intake and skeletal retention. The geometric means of the optimized transfer rates for the 11 cases were computed, and these optimized sample population parameters were tested on two independent monkey cases and on the 11 monkeys from which the optimized parameters were derived. The optimized model parameters did not improve the model fit in most cases, and the predicted skeletal activity produced improvements in three of the 11 cases. The optimized parameters improved the predicted intake in all cases but still over-predicted the intake by an average of 50%. The results suggest that the modified transfer rates were not always an improvement over the default NCRP and ICRP model values.
C1 [Allen, Mark B.; Brey, Richard R.; Gesell, Thomas; Derryberry, Dewayne; Poudel, Deepesh] Idaho State Univ, Dept Nucl Engn & Hlth Phys, Pocatello, ID 83209 USA.
RP Allen, MB (reprint author), Sandia Natl Labs, 1515 Eubank Ave NW, Albuquerque, NM 87123 USA.
EM allemark@isu.edu
FU National Institute of Allergy and Infectious Diseases
[HHSN272201000046C]
FX This research was funded in part from the National Institute of Allergy
and Infectious Diseases under contract HHSN272201000046C.
NR 22
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U1 1
U2 6
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 2016
VL 110
IS 1
BP 11
EP 28
DI 10.1097/HP.0000000000000372
PG 18
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 CY2OX
UT WOS:000366249100002
PM 26606061
ER
PT J
AU Yan, AD
Chen, RZ
Zaghloul, M
Poole, ZL
Ohodnicki, P
Chen, KP
AF Yan, Aidong
Chen, Rongzhang
Zaghloul, Mohamed
Poole, Zsolt L.
Ohodnicki, Paul
Chen, Kevin P.
TI Sapphire Fiber Optical Hydrogen Sensors for High-Temperature
Environments
SO IEEE PHOTONICS TECHNOLOGY LETTERS
LA English
DT Article
DE Nanostructure; high temperature sensing; sapphire fiber
ID SURFACE-PLASMON RESONANCE; THIN-FILMS; GAS; REDUCTION; OXIDE
AB This letter presents a high-temperature fiber optical hydrogen sensor with operational temperatures up to 800 degrees C. The sensor is based on a single-crystal sapphire fiber coated with Pd nanoparticles incorporated TiO2 nanostructured thin film. The template-based sol-gel chemistry was applied to synthesize the nanostructured porous thin films. The sensitivity and response time of the sensor was evaluated for hydrogen concentrations varying from 0.02% to 4%. The effects of temperature on the hydrogen gas sensing properties were investigated from 600 degrees C to 800 degrees C.
C1 [Yan, Aidong; Chen, Rongzhang; Zaghloul, Mohamed; Chen, Kevin P.] Univ Pittsburgh, Dept Elect & Comp Engn, Pittsburgh, PA 15261 USA.
[Poole, Zsolt L.; Ohodnicki, Paul] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
RP Yan, AD (reprint author), Univ Pittsburgh, Dept Elect & Comp Engn, Pittsburgh, PA 15261 USA.
EM aiy2@pitt.edu; roc44@pitt.edu; zsolt.poole@netl.doe.gov;
paul.ohodnicki@netl.doe.gov; kchen@engr.pitt.edu
RI Chen, Rongzhang/B-7259-2017
OI Chen, Rongzhang/0000-0003-4582-2983
FU Nuclear Energy Enabling Technology (NEET) program through Department of
Energy [CA-14-PA-PITT-0702-03]; National Science Foundation
[CMMI-1300273]
FX This work was supported by the Nuclear Energy Enabling Technology (NEET)
program under Grant CA-14-PA-PITT-0702-03 through the Department of
Energy. It was also supported by a grant (CMMI-1300273) from the
National Science Foundation.
NR 21
TC 1
Z9 1
U1 11
U2 47
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 1041-1135
EI 1941-0174
J9 IEEE PHOTONIC TECH L
JI IEEE Photonics Technol. Lett.
PD JAN 1
PY 2016
VL 28
IS 1
BP 47
EP 50
DI 10.1109/LPT.2015.2479563
PG 4
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA CX8JX
UT WOS:000365950500012
ER
PT J
AU Harvey, N
Porter, R
AF Harvey, Neal
Porter, Reid
TI User-driven sampling strategies in image exploitation
SO INFORMATION VISUALIZATION
LA English
DT Article
DE Visual analytics; interactive machine learning; sampling bias; active
learning; relevance feedback
AB Both visual analytics and interactive machine learning try to leverage the complementary strengths of humans and machines to solve complex data exploitation tasks. These fields overlap most significantly when training is involved: the visualization or machine learning tool improves over time by exploiting observations of the human-computer interaction. This article focuses on one aspect of the human-computer interaction that we call user-driven sampling strategies. Unlike relevance feedback and active learning sampling strategies, where the computer selects which data to label at each iteration, we investigate situations where the user selects which data are to be labeled at each iteration. User-driven sampling strategies can emerge in many visual analytics applications, but they have not been fully developed in machine learning. User-driven sampling strategies suggest new theoretical and practical research questions for both visualization science and machine learning. In this article, we identify and quantify the potential benefits of these strategies in a practical image analysis application. We find user-driven sampling strategies can sometimes provide significant performance gains by steering tools toward local minima that have lower error than tools trained with all of the data. In preliminary experiments, we find these performance gains are particularly pronounced when the user is experienced with the tool and application domain.
C1 [Harvey, Neal; Porter, Reid] Los Alamos Natl Lab, Intelligence & Space Res Div, Los Alamos, NM 87545 USA.
RP Porter, R (reprint author), Los Alamos Natl Lab, Intelligence & Space Res Div, POB 1663, Los Alamos, NM 87545 USA.
EM rporter@lanl.gov
NR 20
TC 0
Z9 0
U1 5
U2 5
PU SAGE PUBLICATIONS LTD
PI LONDON
PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND
SN 1473-8716
EI 1473-8724
J9 INFORM VISUAL
JI Inf. Vis.
PD JAN
PY 2016
VL 15
IS 1
BP 64
EP 74
DI 10.1177/1473871614557659
PG 11
WC Computer Science, Software Engineering
SC Computer Science
GA CY1IN
UT WOS:000366160000004
ER
PT J
AU Lee, JK
Kim, SY
Ott, RT
Kim, JY
Eckert, J
Lee, MH
AF Lee, Jin-Kyu
Kim, Song-Yi
Ott, Ryan T.
Kim, Jin-Young
Eckert, Juergen
Lee, Min-Ha
TI Effect of reinforcement phase on the mechanical property of tungsten
nanocomposite synthesized by spark plasma sintering
SO INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS
LA English
DT Article
DE Tungsten; Nanocrystalline metals; Metallic glasses; Mechanical
properties; Spark plasma sintering; Mechanical alloying and milling
ID METALLIC-GLASS COMPOSITES; MATRIX COMPOSITES; SURFACE-AREA; DEFORMATION;
BEHAVIOR; POWDERS
AB Nanostructured tungsten composites were fabricated by spark plasma sintering of nanostructured composite powders. The composite powders, which were synthesized by mechanical milling of tungsten and Ni-based alloy powders, are comprised of alternating layers of tungsten and metallic glass several hundred nanometers in size. The mechanical behavior of the nanostructured W composite is similar to pure tungsten, however, in contrast to monolithic pure tungsten, some macroscopic compressive plasticity accompanies the enhanced maximum strength up to 2.4 GPa by introducing reinforcement. We have found that the mechanical properties of the composites strongly depend on the uniformity of the nano-grained tungsten matrix and reinforcement phase distribution. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Lee, Jin-Kyu] Kongju Natl Univ, Div Adv Mat Engn, Cheonan 331717, South Korea.
[Kim, Song-Yi; Lee, Min-Ha] Korea Inst Ind Technol, Rare Met R&D Grp, Inchon 406840, South Korea.
[Ott, Ryan T.] US DOE, Ames Lab, Div Mat & Engn, Ames, IA 50011 USA.
[Kim, Jin-Young; Eckert, Juergen] Inst Complex Mat, IFW Dresden, D-01171 Dresden, Germany.
[Eckert, Juergen] Tech Univ Dresden, Inst Mat Sci, D-01062 Dresden, Germany.
RP Lee, MH (reprint author), Korea Inst Ind Technol, Rare Met R&D Grp, Inchon 406840, South Korea.
EM mhlee1@kitech.re.kr
OI LEE, MIN HA/0000-0001-6006-0628
FU Industrial Technology Innovation Program - Ministry of Trade, Industry
and Energy (MOTIE); Korea Institute of Technology Evaluation and
Planning (KETEP) [2014-2020-103910]; U.S. Department of Energy through
Cooperative Research and Development Agreement [DE-AC02-07CH11358,
AL-C-2014-02]; Office of Science, Basic Energy Sciences, Materials
Sciences and Engineering Division [DE-AC02-07CH11358]; Research Grant of
the Kongju National University
FX This work was supported by the Industrial Technology Innovation Program
funded by the Ministry of Trade, Industry and Energy (MOTIE) and Korea
Institute of Technology Evaluation and Planning (KETEP) under contract
No. 2014-2020-103910. And this work was also supported by U.S.
Department of Energy under Contract No. DE-AC02-07CH11358 through the
Cooperative Research and Development Agreement (AL-C-2014-02) between
Ames Laboratory and KITECH. Work by RTO was supported by Office of
Science, Basic Energy Sciences, Materials Sciences and Engineering
Division under Contract No. DE-AC02-07CH11358. This work was also
partially supported by the Research Grant of the Kongju National
University in 2012.
NR 20
TC 2
Z9 2
U1 2
U2 24
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0263-4368
J9 INT J REFRACT MET H
JI Int. J. Refract. Met. Hard Mat.
PD JAN
PY 2016
VL 54
BP 14
EP 18
DI 10.1016/j.ijrmhm.2015.07.009
PG 5
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA CY2II
UT WOS:000366231600003
ER
PT J
AU Schulte, KL
Simon, J
Roy, A
Reedy, RC
Young, DL
Kuech, TF
Ptak, AJ
AF Schulte, Kevin L.
Simon, John
Roy, Abhra
Reedy, Robert C.
Young, David L.
Kuech, Thomas F.
Ptak, Aaron J.
TI Computational fluid dynamics-aided analysis of a hydride vapor phase
epitaxy reactor
SO JOURNAL OF CRYSTAL GROWTH
LA English
DT Article
DE Computer simulation; Fluid flows; Hydride vapor phase epitaxy;
Semiconducting III-V materials; Solar cells
ID GAAS; GROWTH; GAP; TEM
AB We report the development of a computational fluid dynamics (CFD) model of a dual chamber hydride vapor phase epitaxial (HVPE) growth reactor. Uniformity of reactant concentrations in the growth stream, transient reactor flows, and cross doping between the two growth chambers, all factors critical to the deposition of uniform, low defect semiconductor layers, were modeled. Simulation results were generated by solving the fundamental continuity, momentum and energy equations over a discretized reactor volume by a finite volume analysis with the aid of CFD-ACE+ commercial software. We demonstrated uniformity of the vapor composition within +/- 1% across the substrate, achieved due to specific features of the reactor design. Small compositional non-uniformity (+/- 2% absolute) in In1-xGaxP layers grown in our reactor was correlated with calculated temperature non-uniformity across the substrate. Gas switching was modeled and the transient time predicted by the model was confirmed by measurement of doping transients in a sample grown in the reactor. Lastly the gas curtains that chemically isolate the reactor chambers were modeled and the results were compared to experimental data for cross doping between the chambers. As an example, we demonstrate, based on insight from the model, that our HVPE reactor is suitable for the deposition of GaAs PV devices. CFD modeling is a critical tool for the scale up of laboratory level processes to industrial levels. (C) 2015 Published by Elsevier BY.
C1 [Schulte, Kevin L.; Simon, John; Reedy, Robert C.; Young, David L.; Ptak, Aaron J.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Roy, Abhra] ESI US R&D, San Jose, CA 95134 USA.
[Kuech, Thomas F.] Univ Wisconsin, Madison, WI 53726 USA.
RP Schulte, KL (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM kevin.schulte@nrel.gov
FU U.S. Department of Energy [DE-AC36-08G028308]; National Renewable Energy
Laboratory; U.S. DOE Office of Energy Efficiency and Renewable Energy
Solar Energy Technologies Program
FX This work was supported by the U.S. Department of Energy under Contract
no. DE-AC36-08G028308 with the National Renewable Energy Laboratory.
Funding provided by U.S. DOE Office of Energy Efficiency and Renewable
Energy Solar Energy Technologies Program.
NR 22
TC 1
Z9 1
U1 5
U2 15
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0022-0248
EI 1873-5002
J9 J CRYST GROWTH
JI J. Cryst. Growth
PD JAN
PY 2016
VL 434
BP 138
EP 147
DI 10.1016/j.jcrysgro.2015.10.033
PG 10
WC Crystallography; Materials Science, Multidisciplinary; Physics, Applied
SC Crystallography; Materials Science; Physics
GA CX9SA
UT WOS:000366044400023
ER
PT J
AU Olson, GL
AF Olson, Gordon L.
TI Gray and multigroup radiation transport models for two-dimensional
binary stochastic media using effective opacities
SO JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER
LA English
DT Article
DE Stochastic media; Radiation transport; Gray transport; Multigroup
transport
ID MATERIAL TEMPERATURE; SPHERICAL-HARMONICS; EQUATIONS; GREY; DIFFUSION
AB One-dimensional models for the transport of radiation through binary stochastic media do not work in multi-dimensions. Authors have attempted to modify or extend the 1D models to work in multidimensions without success. Analytic one-dimensional models are successful in 1D only when assuming greatly simplified physics. State of the art theories for stochastic media radiation transport do not address multi-dimensions and temperature-dependent physics coefficients. Here, the concept of effective opacities and effective heat capacities is found to well represent the ensemble averaged transport solutions in cases with gray or multigroup temperature-dependent opacities and constant or temperature-dependent heat capacities. In every case analyzed here, effective physics coefficients fit the transport solutions over a useful range of parameter space. The transport equation is solved with the spherical harmonics method with angle orders of n=1 and 5. Although the details depend on what order of solution is used, the general results are similar, independent of angular order. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Olson, Gordon L.] Los Alamos Natl Lab, Comp & Computat Sci Div CCS 2, Madison, WI 53717 USA.
RP Olson, GL (reprint author), Los Alamos Natl Lab, Comp & Computat Sci Div CCS 2, 5 Foxglove Circle, Madison, WI 53717 USA.
EM olson99gl@gmail.com
NR 14
TC 1
Z9 1
U1 1
U2 2
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 2016
VL 168
BP 57
EP 65
DI 10.1016/j.jqsrt.2015.09.005
PG 9
WC Optics; Spectroscopy
SC Optics; Spectroscopy
GA CX9EE
UT WOS:000366007000007
ER
PT J
AU Darling, R
Gallagher, K
Xie, W
Su, L
Brushett, F
AF Darling, Robert
Gallagher, Kevin
Xie, Wei
Su, Liang
Brushett, Fikile
TI Transport Property Requirements for Flow Battery Separators
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID REVERSE-OSMOSIS MEMBRANES; NANOFILTRATION MEMBRANES; IONIC-CONDUCTIVITY;
ENERGY-STORAGE; SULFURIC-ACID; VANADIUM; NAFION; CHARGE; WATER;
PERMEABILITY
AB Flow batteries are a promising technology for storing and discharging megawatt hours of electrical energy on the time scale of hours. The separator between the positive and negative electrodes strongly affects technical and economic performance. However, requirements for separators have not been reported in a general manner that enables quantitative evaluation of new systems such as nonaqueous flow batteries. This gap is addressed by deriving specifications for transport properties that are chemistry agnostic and align with aggressive capital cost targets. Three key transport characteristics are identified: area-specific resistance R-Omega, crossover current density i(x), and the coupling between crossover and capacity loss Psi. Suggested maximum area-specific resistances are 0.29 and 2.3 Omega.cm(2) for aqueous and nonaqueous batteries, respectively. Allowable crossover rates are derived by considering the possible fates of active molecules that cross the separator and the coupling between Coulombic efficiency (CE) and capacity decline. The CE must exceed 99.992% when active species are unstable at the opposing electrode, while a CE of 97% can be tolerated when active molecules can be recovered from the opposing electrode. The contributions of diffusion, migration, and convection are discussed, quantified, and related to the physical properties of the separator and the active materials. (C) The Author(s) 2015. Published by ECS. All rights reserved.
C1 [Darling, Robert; Gallagher, Kevin; Xie, Wei; Su, Liang; Brushett, Fikile] Joint Ctr Energy Storage Res, E Hartford, CT 06108 USA.
[Darling, Robert; Xie, Wei] United Technol Res Ctr, E Hartford, CT 06108 USA.
[Gallagher, Kevin] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA.
[Su, Liang; Brushett, Fikile] MIT, Dept Chem Engn, Cambridge, MA 02139 USA.
RP Darling, R (reprint author), Joint Ctr Energy Storage Res, E Hartford, CT 06108 USA.
EM darlinrm@utrc.utc.com
FU Joint Center for Energy Storage Research, an Energy Innovation Hub -
U.S. Department of Energy, Office of Science, Basic Energy Sciences;
[DE-AC02-06CH11357]
FX This work was supported as part of the Joint Center for Energy Storage
Research, an Energy Innovation Hub funded by the U.S. Department of
Energy, Office of Science, Basic Energy Sciences. The submitted
manuscript has been created by UChicago Argonne, LLC, Operator of
Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of
Energy Office of Science laboratory, is operated under Contract No.
DE-AC02-06CH11357. Mike Fortin of United Technologies tested the
subscale cells.
NR 56
TC 17
Z9 17
U1 17
U2 39
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2016
VL 163
IS 1
BP A5029
EP A5040
DI 10.1149/2.0051601jes
PG 12
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CY1PS
UT WOS:000366180300006
ER
PT J
AU Darling, RM
Weber, AZ
Tucker, MC
Perry, ML
AF Darling, Robert M.
Weber, Adam Z.
Tucker, Michael C.
Perry, Mike L.
TI The Influence of Electric Field on Crossover in Redox-Flow Batteries
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID CATION-EXCHANGE MEMBRANES; SCALE ENERGY-STORAGE; NAFION MEMBRANES;
TRANSPORT MODEL; WATER TRANSPORT; MASS-TRANSPORT; VANADIUM IONS;
PERFORMANCE; CELL; ELECTROLYTES
AB Transport of active species through the ion-exchange membrane separating the electrodes in a redox-flow battery is an important source of inefficiency. Migration and electro-osmosis have significant impacts on the crossover of reactive anions, cations, and neutral species. In this paper, these phenomena are theoretically and experimentally explored for commercial cation-exchange membranes. The theoretical analysis indicates that plotting the cumulative Coulombic mismatch between charge and discharge as a function of time can be used to assess crossover rates. The relative importance of migration and electro-osmosis over diffusion is quantified and shown to increase with increasing current density and membrane thickness because the contributions of migration and electro-osmosis to ionic flux are independent of membrane thickness and proportional to current density, while diffusion is inversely proportional to membrane thickness and independent of current density. (C) The Author(s) 2015. Published by ECS. All rights reserved.
C1 [Darling, Robert M.] Joint Ctr Energy Storage Res, E Hartford, CT 06108 USA.
[Darling, Robert M.; Perry, Mike L.] United Technol Res Ctr, E Hartford, CT 06108 USA.
[Weber, Adam Z.; Tucker, Michael C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Darling, RM (reprint author), Joint Ctr Energy Storage Res, E Hartford, CT 06108 USA.
EM darlinrm@utrc.utc.com
FU Joint Center for Energy Storage Research, an Energy Innovation Hub -
U.S. Department of Energy, Office of Science, Basic Energy Sciences;
Advanced Research Projects Agency - Energy (ARPA-E) of the U.S.
Department of Energy (DOE) [DE-AR0000149]; ARPA-E of the U.S. DOE
[DE-AC02-05CH11231, DE-AR0000262]
FX Work by Robert Darling was supported as part of the Joint Center for
Energy Storage Research, an Energy Innovation Hub funded by the U.S.
Department of Energy, Office of Science, Basic Energy Sciences. UTRC
would like to thank Mike Fortin who built and tested the cells discussed
in this work. Partial funding for UTRC provided by the Advanced Research
Projects Agency - Energy (ARPA-E) of the U.S. Department of Energy (DOE)
under contract no. DE-AR0000149. Funding for LBNL provided by ARPA-E of
the U.S. DOE (contract no. DE-AC02-05CH11231 for LBNL and DE-AR0000262
for TVN Systems, Inc.) with cost share provided by TVN Systems, Inc.
NR 46
TC 9
Z9 9
U1 17
U2 64
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2016
VL 163
IS 1
BP A5014
EP A5022
DI 10.1149/2.0031601jes
PG 9
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CY1PS
UT WOS:000366180300004
ER
PT J
AU Gandomi, YA
Aaron, DS
Zawodzinski, TA
Mench, MM
AF Gandomi, Yasser Ashraf
Aaron, D. S.
Zawodzinski, T. A.
Mench, M. M.
TI In Situ Potential Distribution Measurement and Validated Model for
All-Vanadium Redox Flow Battery
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID PERFLUOROSULFONIC ACID MEMBRANES; AQUEOUS SULFURIC-ACID; SCALE
ENERGY-STORAGE; PEM FUEL-CELLS; REFERENCE ELECTRODE;
POLYMER-ELECTROLYTE; MATHEMATICAL-MODEL; POROUS-ELECTRODES; NAFION
MEMBRANES; SINGLE ELECTRODE
AB An in situ, local potential measurement technique was further developed and applied to all-vanadium redox flow batteries to determine the potential distribution within multilayer electrodes of the battery. Micro-scale potential probes enabled in situ measurement of local potential in electrode layers between the cell flow field and membrane. The local redox potentials were recorded for different operating conditions and states of charges. To further analyze the behavior of potential distribution in the through-plane direction, a mathematical model was developed and the species distribution as well as the flux density of any individual component was modeled in terms of contributions from convective, diffusive and electrophoretic fluxes at each operating condition. Good agreement was achieved between the mathematical model prediction and experimental data with maximum error of 8%. Both mathematical simulation and experimental data confirmed the distribution of potential in the through plane direction as a function of discharge current density, predicting the lowest potential in a region close to the flow plate. (C) The Author(s) 2015. Published by ECS. All rights reserved.
C1 [Gandomi, Yasser Ashraf; Aaron, D. S.; Mench, M. M.] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Electrochem Energy Storage & Convers Lab, Knoxville, TN 37996 USA.
[Zawodzinski, T. A.] Univ Tennessee, Chem & Biomol Engn Dept, Knoxville, TN 37996 USA.
[Zawodzinski, T. A.] Oak Ridge Natl Lab, Phys Chem Mat Grp, Oak Ridge, TN 37831 USA.
[Mench, M. M.] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA.
RP Gandomi, YA (reprint author), Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Electrochem Energy Storage & Convers Lab, Knoxville, TN 37996 USA.
EM mmench@utk.edu
FU Office of Naval Research work under Long Range Broad Agency Announcement
(BAA) [N00014-12-1-0887]; U.S. Department of Energy's Office of Basic
Energy Science (DOE-BES), Division of Materials Sciences and Engineering
under UT-Battelle, LLC
FX Partial Funding for this project was provided by the Office of Naval
Research work under Long Range Broad Agency Announcement (BAA)
#N00014-12-1-0887. A portion of this work (GMV-XPS) was supported by
U.S. Department of Energy's Office of Basic Energy Science (DOE-BES),
Division of Materials Sciences and Engineering, under contract with
UT-Battelle, LLC. The authors thank Dr. Kivanc Ekici and Dr. E.L.
Redmond for fruitful discussion.
NR 79
TC 5
Z9 5
U1 15
U2 50
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2016
VL 163
IS 1
BP A5188
EP A5201
DI 10.1149/2.0211601jes
PG 14
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CY1PS
UT WOS:000366180300026
ER
PT J
AU Lawton, JS
Jones, AM
Tang, ZJ
Lindsey, M
Fujimoto, C
Zawodzinski, TA
AF Lawton, Jamie S.
Jones, Amanda M.
Tang, Zhijiang
Lindsey, Melanie
Fujimoto, Cy
Zawodzinski, Thomas A.
TI Characterization of Vanadium Ion Uptake in Sulfonated Diels Alder
Poly(phenylene) Membranes
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID REDOX-FLOW BATTERY; NITROXIDE-FREE-RADICALS; LINE-SHAPE CHANGES;
EXCHANGE MEMBRANE; NAFION MEMBRANES; SELF-DIFFUSION; SPIN-EXCHANGE;
FUEL-CELL; METHANOL; CONDUCTIVITY
AB Sulfonated diels alder poly(phenylene) (SDAPP), alternative aromatic hydrocarbon membranes for vanadium redox flow batteries (VRFBs) are characterized using electron paramagnetic resonance (EPR). Membranes soaked in sulfuric acid and vanadyl sulfate are analyzed to determine the membrane environment in which the vanadyl ion (VO2+) diffuses in the membranes. These results are compared to Nafion 117 membranes. In contrast to Nafion, the VO2+ in SDAPP membranes exists in two different environments. The results of analysis of rotational diffusion determined from fits the EPR spectral lineshapes in comparison with previously reported permeation studies and measurements of partitioning functions reported here suggest that the diffusion pathways in SDAPP are considerably different than in Nafion. (C) The Author(s) 2015. Published by ECS. All rights reserved.
C1 [Lawton, Jamie S.; Jones, Amanda M.; Tang, Zhijiang; Lindsey, Melanie; Zawodzinski, Thomas A.] Univ Tennessee, Dept Biomol & Chem Engn, Knoxville, TN 37996 USA.
[Fujimoto, Cy] Sandia Natl Labs, Organ Mat Sci, Albuquerque, NM 87123 USA.
[Zawodzinski, Thomas A.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
[Zawodzinski, Thomas A.] King Abdulaziz Univ, Dept Chem, Jeddah 21413, Saudi Arabia.
RP Lawton, JS (reprint author), Univ Massachusetts Dartmouth, Dept Chem & Biochem, N Dartmouth, MA 02747 USA.
EM tzawodzi@utk.edu
FU NSF [EPS-1004083]; U.S. Department of Energy, Office of Electricity
Delivery and Energy Reliability; Office of Naval Research
FX We gratefully acknowledge the support of this work by the NSF-funded
TN-SCORE program, NSF EPS-1004083, under Thrust 2. This work was also
supported in part by the U.S. Department of Energy, Office of
Electricity Delivery and Energy Reliability (Dr. Imre Gyuk) and by the
Office of Naval Research. We would also like to acknowledge the
Bioanalytical Resources Facility at the University of Tennessee for use
of the Bruker EPR instrument.
NR 36
TC 2
Z9 2
U1 14
U2 33
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2016
VL 163
IS 1
BP A5229
EP A5235
DI 10.1149/2.0291601jes
PG 7
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CY1PS
UT WOS:000366180300030
ER
PT J
AU Lin, G
Chong, PY
Yarlagadda, V
Nguyen, TV
Wycisk, RJ
Pintauro, PN
Bates, M
Mukerjee, S
Tucker, MC
Weber, AZ
AF Lin, G.
Chong, P. Y.
Yarlagadda, V.
Nguyen, T. V.
Wycisk, R. J.
Pintauro, P. N.
Bates, M.
Mukerjee, S.
Tucker, M. C.
Weber, A. Z.
TI Advanced Hydrogen-Bromine Flow Batteries with Improved Efficiency,
Durability and Cost
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID SCALE ENERGY-STORAGE; H-2/BR-2 FUEL-CELL; PERFORMANCE; OPTIMIZATION;
MEMBRANES
AB The hydrogen/bromine flow battery is a promising candidate for large-scale energy storage due to fast kinetics, highly reversible reactions and low chemical costs. However, today's conventional hydrogen/bromine flow batteries use membrane materials (such as Nafion), platinum catalysts, and carbon-paper electrode materials that are expensive. In addition, platinum catalysts can be poisoned and corroded when exposed to HBr and Br-2, compromising system lifetime. To reduce the cost and increase the durability of H-2/Br-2 flow batteries, new materials are developed. The new Nafion/polyvinylidene fluoride electrospun composite membranes have high perm-selectivity at a fraction of the cost of Nafion membranes; the new nitrogen-functionalized platinum-iridium catalyst possesses excellent activity and durability in HBr/Br-2 environment; and the new carbon-nanotube-based Br-2 electrodes can achieve equal or better performance with less materials when compared to baseline electrode materials. Preliminary cost analysis shows that the new materials reduce H-2/Br-2 flow-battery energy-storage system stack and system costs significantly. The resulting advanced H-2/Br-2 flow batteries offer high power, high efficiency, substantially increased durability, and expected reduced cost. (C) The Author(s) 2015. Published by ECS. All rights reserved.
C1 [Lin, G.; Chong, P. Y.] TVN Syst Inc, Lawrence, KS 66046 USA.
[Yarlagadda, V.; Nguyen, T. V.] Univ Kansas, Dept Chem & Petr Engn, Lawrence, KS 66045 USA.
[Wycisk, R. J.; Pintauro, P. N.] Vanderbilt Univ, Dept Biomol & Chem Engn, Nashville, TN 37235 USA.
[Bates, M.; Mukerjee, S.] Northeastern Univ, Dept Chem & Chem Biol, Boston, MA 02115 USA.
[Tucker, M. C.; Weber, A. Z.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
RP Lin, G (reprint author), TVN Syst Inc, Lawrence, KS 66046 USA.
EM gygylin@gmail.com
OI Weber, Adam/0000-0002-7749-1624
FU Advanced Research Projects Agency-Energy (ARPA-E) of the U.S. Department
of Energy [DE-AR0000262]
FX The authors acknowledge Dr. Paul Albertus for cost modeling and Jun Woo
Park for membrane fabrication. This work was funded by Advanced Research
Projects Agency-Energy (ARPA-E) of the U.S. Department of Energy under
Award No. DE-AR0000262.
NR 25
TC 7
Z9 7
U1 3
U2 22
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2016
VL 163
IS 1
BP A5049
EP A5056
DI 10.1149/2.0071601jes
PG 8
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CY1PS
UT WOS:000366180300008
ER
PT J
AU Perry, ML
Weber, AZ
AF Perry, Mike L.
Weber, Adam Z.
TI Advanced Redox-Flow Batteries: A Perspective
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID SCALE ENERGY-STORAGE; PERFORMANCE; MEMBRANES; DENSITY; CELLS
AB Redox-flow batteries are entering a period of renaissance, buoyed by both the increasing need for affordable large-scale energy-storage solutions, as well as leveraging the advancements in flow-cell technology, mainly in polymer-electrolyte fuel cells. This perspective highlights the research-and-development avenues and opportunities for redox-flow-battery cells and materials. (C) The Author(s) 2015. Published by ECS. All rights reserved.
C1 [Perry, Mike L.] United Technol Res Ctr, E Hartford, CT 06108 USA.
[Weber, Adam Z.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Perry, ML (reprint author), United Technol Res Ctr, E Hartford, CT 06108 USA.
EM azweber@lbl.gov
OI Weber, Adam/0000-0002-7749-1624
NR 35
TC 22
Z9 22
U1 15
U2 55
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2016
VL 163
IS 1
BP A5064
EP A5067
DI 10.1149/2.0101601jes
PG 4
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CY1PS
UT WOS:000366180300010
ER
PT J
AU Pezeshki, AM
Tang, ZJ
Fujimoto, C
Sun, CN
Mench, MM
Zawodzinski, TA
AF Pezeshki, A. M.
Tang, Z. J.
Fujimoto, C.
Sun, C. -N.
Mench, M. M.
Zawodzinski, T. A.
TI Full Cell Study of Diels Alder Poly(phenylene) Anion and Cation Exchange
Membranes in Vanadium Redox Flow Batteries
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID ETHER KETONE) MEMBRANES; SULFURIC-ACID; TRANSPORT; CROSSOVER;
POLYELECTROLYTE; CONDUCTIVITY; DIFFUSION; MODEL
AB In this work, we report on the performance of Diels Alder poly(phenylene) membranes in vanadium redox flow batteries. The membranes were functionalized with quaternary ammonium groups to form an anion exchange membrane (QDAPP) and with sulfonic acid groups to form a cation exchange membrane (SDAPP). Both membrane classes showed similar conductivities in the battery environment, suggesting that the ion conduction mechanism in the material is not strongly affected by the moieties along the polymer backbone. The resistance to vanadium permeation in QDAPP was not improved relative to SDAPP, further suggesting that the polarity of the functional groups do not play a significant role in the membrane materials tested. Both QDAPP and SDAPP outperformed Nafion membranes in cycling tests, with both achieving voltage efficiencies above 85% while maintaining 95% coulombic efficiency while at a current density of 200 mA/cm(2). (C) The Author(s) 2015. Published by ECS. All rights reserved.
C1 [Pezeshki, A. M.; Tang, Z. J.; Zawodzinski, T. A.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
[Pezeshki, A. M.] Univ Tennessee, Bredesen Ctr Interdisciplinary Res & Grad Educ, Knoxville, TN 37996 USA.
[Pezeshki, A. M.; Tang, Z. J.; Sun, C. -N.; Zawodzinski, T. A.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
[Fujimoto, C.] Sandia Natl Labs, Organ Mat Sci, Albuquerque, NM 87123 USA.
[Mench, M. M.] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA.
RP Pezeshki, AM (reprint author), Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
EM tzawodzi@utk.edu
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL8500]
FX We gratefully acknowledge the U.S. Department of Energy, Office of
Electricity Delivery and Energy Reliability (Dr. Imre Gyuk). Cell
testing was performed at Oak Ridge National Laboratory (AMP, ZT, CNS)
and membrane synthesis was performed at Sandia National Laboratories
(CF). Sandia National Laboratories is a multi-program laboratory
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Company, for the U.S. Department of Energy's National Nuclear
Security Administration under contract DE-AC04-94AL8500.
NR 39
TC 2
Z9 2
U1 24
U2 61
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2016
VL 163
IS 1
BP A5154
EP A5162
DI 10.1149/2.0201601jes
PG 9
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CY1PS
UT WOS:000366180300022
ER
PT J
AU Pezeshki, AM
Sacci, RL
Veith, GM
Zawodzinski, TA
Mench, MM
AF Pezeshki, Alan M.
Sacci, Robert L.
Veith, Gabriel M.
Zawodzinski, Thomas A.
Mench, Matthew M.
TI The Cell-in-Series Method: A Technique for Accelerated Electrode
Degradation in Redox Flow Batteries
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID WALLED CARBON NANOTUBES; GRAPHITE ELECTRODE; ENERGY-STORAGE; POSITIVE
ELECTRODE; FELT ELECTRODES; MEMBRANES; CORROSION; STATE; VO2+/VO2+;
PROGRESS
AB We demonstrate a novel method to accelerate electrode degradation in redox flow batteries and apply this method to the all-vanadium chemistry. Electrode performance degradation occurred seven times faster than in a typical cycling experiment, enabling rapid evaluation of materials. This method also enables the steady-state study of electrodes. In this manner, it is possible to delineate whether specific operating conditions induce performance degradation; we found that both aggressively charging and discharging result in performance loss. Post-mortem x-ray photoelectron spectroscopy of the degraded electrodes was used to resolve the effects of state of charge (SoC) and current on the electrode surface chemistry. For the electrode material tested in this work, we found evidence that a loss of oxygen content on the negative electrode cannot explain decreased cell performance. Furthermore, the effects of decreased electrode and membrane performance on capacity fade in a typical cycling battery were decoupled from crossover; electrode and membrane performance decay were responsible for a 22% fade in capacity, while crossover caused a 12% fade. (C) The Author(s) 2015. Published by ECS. All rights reserved.
C1 [Pezeshki, Alan M.; Zawodzinski, Thomas A.; Mench, Matthew M.] Univ Tennessee, Dept Biomol & Chem Engn, Knoxville, TN 37996 USA.
[Pezeshki, Alan M.] Univ Tennessee, Bredesen Ctr Interdisciplinary Res & Grad Educ, Knoxville, TN 37996 USA.
[Pezeshki, Alan M.; Sacci, Robert L.; Veith, Gabriel M.; Zawodzinski, Thomas A.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
[Mench, Matthew M.] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA.
[Mench, Matthew M.] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA.
RP Pezeshki, AM (reprint author), Univ Tennessee, Dept Biomol & Chem Engn, Knoxville, TN 37996 USA.
EM mmench@utk.edu
FU Office of Naval Research work under Long Range Broad Agency Announcement
(BAA) [N00014-12-1-0887]; U.S. Department of Energy's Office of Basic
Energy Science (DOE-BES), Division of Materials Sciences and Engineering
under UT-Battelle, LLC; U.S. Department of Energy, Officer of Science,
Office of Basic Sciences
FX Funding for experimental work was provided by the Office of Naval
Research work under Long Range Broad Agency Announcement (BAA)
#N00014-12-1-0887. A portion of this work (GMV-XPS) was supported by
U.S. Department of Energy's Office of Basic Energy Science (DOE-BES),
Division of Materials Sciences and Engineering, under contract with
UT-Battelle, LLC. Additional personnel support for experiments (RLS) was
provided by the Fluid Interface Reactions Structures and Transport
(FIRST) Center, an Energy Frontier Research Center funded by the U.S.
Department of Energy, Officer of Science, Office of Basic Sciences. The
authors thank Drs. E.L. Redmond and D.S. Aaron for fruitful discussion.
NR 48
TC 6
Z9 6
U1 12
U2 41
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2016
VL 163
IS 1
BP A5202
EP A5210
DI 10.1149/2.0251601jes
PG 9
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CY1PS
UT WOS:000366180300027
ER
PT J
AU Reed, D
Thomsen, E
Li, B
Wang, W
Nie, ZM
Koeppel, B
Kizewski, J
Sprenkle, V
AF Reed, David
Thomsen, Edwin
Li, Bin
Wang, Wei
Nie, Zimin
Koeppel, Brian
Kizewski, James
Sprenkle, Vincent
TI Stack Developments in a kW Class All Vanadium Mixed Acid Redox Flow
Battery at the Pacific Northwest National Laboratory
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID RESEARCH-AND-DEVELOPMENT; PEM FUEL-CELLS; PERFORMANCE; ELECTROLYTE;
PROGRESS; FIELDS
AB Over the past several years, efforts have been focused on improving the performance of kW class all vanadium mixed acid redox flow battery stacks with increasing current density. The influence of the Nafion membrane resistance, an interdigitated design to reduce the pressure drop in the electrolyte circuit, the temperature of the electrolyte, and the electrode structure will be discussed and correlated to the electrical performance. Improvements to the stack energy efficiency and how those improvements translate to the overall system efficiency will also be discussed. (C) The Author(s) 2015. Published by ECS. All rights reserved.
C1 [Reed, David; Thomsen, Edwin; Li, Bin; Wang, Wei; Nie, Zimin; Koeppel, Brian; Kizewski, James; Sprenkle, Vincent] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Reed, D (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM david.reed@pnnl.gov
RI Wang, Wei/F-4196-2010
OI Wang, Wei/0000-0002-5453-4695
FU Office Electricity Delivery & Energy Reliability's storage program;
Department of Energy [DE_ACS05-76RL01830]
FX This work is supported by the Office Electricity Delivery & Energy
Reliability's storage program. PNNL is a multiprogram laboratory
operated by Battelle Memorial Institute for the Department of Energy
under Contract DE_ACS05-76RL01830.
NR 21
TC 6
Z9 6
U1 2
U2 24
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2016
VL 163
IS 1
BP A5211
EP A5219
DI 10.1149/2.0281601jes
PG 9
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CY1PS
UT WOS:000366180300028
ER
PT J
AU Small, LJ
Pratt, HD
Fujimoto, CH
Anderson, TM
AF Small, Leo J.
Pratt, Harry D., III
Fujimoto, Cy H.
Anderson, Travis M.
TI Diels Alder Polyphenylene Anion Exchange Membrane for Nonaqueous Redox
Flow Batteries
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID IONIC LIQUIDS; ENERGY-STORAGE; MORPHOLOGY; COPPER
AB Here highly conductive, solvent-resistant anionic Diels Alder polyphenylene (DAPP) membranes were synthesized with three different ionic contents and tested in an ionic liquid-based nonaqueous redox flow battery (RFB). These membranes display 3-10x increase in conductivity in propylene carbonate compared to some commercially available (aqueous) anion exchange membranes. The membrane with an ion content of 1.5 meq/g (DAPP1.5) proved too brittle for operation in a RFB, while the membrane with an ion content of 2.5 meq/g (DAPP2.5) allowed excessive movement of solvent and poor electrochemical yields (capacity fade). Despite having lower voltage efficiencies compared to DAPP2.5, the membrane with an intermediate ion content of 2.0 meq/g (DAPP2.0) exhibited higher coulombic efficiencies (96.4% vs. 89.1%) and electrochemical yields (21.6% vs. 10.9%) after 50 cycles. Crossover of the electroactive species was the primary reason for decreased electrochemical yields. Analysis of the anolyte and catholyte revealed degradation of the electroactive species and formation of a film at the membrane-solution interface. Increases in membrane resistance were attributed to mechanical and thermal aging of the membrane; no chemical change was observed. Improvements in the ionic selectivity and ionic conductivity of the membrane will increase the electrochemical yield and voltage efficiency of future nonaqueous redox flow batteries. (C) 2015 The Electrochemical Society. All rights reserved.
C1 [Small, Leo J.; Pratt, Harry D., III; Fujimoto, Cy H.; Anderson, Travis M.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Small, LJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM tmander@sandia.gov
OI Small, Leo/0000-0003-0404-6287
FU U.S. Department of Energy, Office of Electricity Delivery and Energy
Reliability; U.S. Department of Energy's National Nuclear Security
Administration [DE-AC04-94AL85000]
FX The authors thank the U.S. Department of Energy, Office of Electricity
Delivery and Energy Reliability (Dr. Imre Gyuk, Energy Storage Program)
for funding. Sandia National Laboratories is a multiprogram 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 24
TC 1
Z9 1
U1 9
U2 24
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2016
VL 163
IS 1
BP A5106
EP A5111
DI 10.1149/2.0141601jes
PG 6
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CY1PS
UT WOS:000366180300015
ER
PT J
AU Su, L
Darling, RM
Gallagher, KG
Xie, W
Thelen, JL
Badel, AF
Barton, JL
Cheng, KJ
Balsara, NP
Moore, JS
Brushett, FR
AF Su, Liang
Darling, Robert M.
Gallagher, Kevin G.
Xie, Wei
Thelen, Jacob L.
Badel, Andres F.
Barton, John L.
Cheng, Kevin J.
Balsara, Nitash P.
Moore, Jeffrey S.
Brushett, Fikile R.
TI An Investigation of the Ionic Conductivity and Species Crossover of
Lithiated Nafion 117 in Nonaqueous Electrolytes
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID REDOX-FLOW BATTERIES; X-RAY-SCATTERING; IONOMER MEMBRANES;
ENERGY-STORAGE; WATER; PERFORMANCE; CHALLENGES; TRANSPORT; PROGRESS
AB Nonaqueous redox flow batteries are a fast-growing area of research and development motivated by the need to develop low-cost energy storage systems. The identification of a highly conductive, yet selective membrane, is of paramount importance to enabling such a technology. Herein, we report the swelling behavior, ionic conductivity, and species crossover of lithiated Nafion 117 membranes immersed in three nonaqueous electrolytes (PC, PC : EC, and DMSO). Our results show that solvent volume fraction within the membrane has the greatest effect on both conductivity and crossover. An approximate linear relationship between diffusive crossover of neutral redox species (ferrocene) and the ionic conductivity of membrane was observed. As a secondary effect, the charge on redox species modifies crossover rates in accordance with Donnan exclusion. The selectivity of membrane is derived mathematically and compared to experimental results reported here. The relatively low selectivity for lithiated Nafion 117 in nonaqueous conditions suggests that new membranes are required for competitive nonaqueous redox flow batteries to be realized. Potential design rules are suggested for the future membrane engineering work. (C) The Author(s) 2015. Published by ECS. All rights reserved.
C1 [Su, Liang; Darling, Robert M.; Gallagher, Kevin G.; Xie, Wei; Thelen, Jacob L.; Barton, John L.; Cheng, Kevin J.; Balsara, Nitash P.; Moore, Jeffrey S.; Brushett, Fikile R.] MIT, Joint Ctr Energy Storage Res, Cambridge, MA 02139 USA.
[Su, Liang; Badel, Andres F.; Barton, John L.; Brushett, Fikile R.] MIT, Dept Chem Engn, Cambridge, MA 02139 USA.
[Darling, Robert M.; Xie, Wei] United Technol Res Ctr, E Hartford, CT 06108 USA.
[Gallagher, Kevin G.] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA.
[Thelen, Jacob L.; Balsara, Nitash P.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA.
[Cheng, Kevin J.; Moore, Jeffrey S.] Univ Illinois, Dept Chem, Urbana, IL 61801 USA.
RP Su, L (reprint author), MIT, Joint Ctr Energy Storage Res, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
EM brushett@mit.edu
OI Badel, Andres/0000-0002-0958-8969
FU Joint Center for Energy Storage Research, an Energy Innovation Hub -
U.S. Department of Energy, Office of Science, Basic Energy Sciences;
Office of Science, Office of Basic Energy Sciences of the U.S.
Department of Energy [DE-AC02-05CH11231]
FX This work was supported as part of the Joint Center for Energy Storage
Research, an Energy Innovation Hub funded by the U.S. Department of
Energy, Office of Science, Basic Energy Sciences. Beamline 7.3.3 of the
Advanced Light Source is supported by the Director of the Office of
Science, Office of Basic Energy Sciences, of the U.S. Department of
Energy under Contract No. DE-AC02-05CH11231.
NR 42
TC 8
Z9 8
U1 8
U2 34
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2016
VL 163
IS 1
BP A5253
EP A5262
DI 10.1149/2.03211601jes
PG 10
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CY1PS
UT WOS:000366180300033
ER
PT J
AU Wei, XL
Xia, GG
Kirby, B
Thomsen, E
Li, B
Nie, ZM
Graff, GG
Liu, J
Sprenkle, V
Wang, W
AF Wei, Xiaoliang
Xia, Guan-Guang
Kirby, Brent
Thomsen, Ed
Li, Bin
Nie, Zimin
Graff, Gordon G.
Liu, Jun
Sprenkle, Vincent
Wang, Wei
TI An Aqueous Redox Flow Battery Based on Neutral Alkali Metal
Ferri/ferrocyanide and Polysulfide Electrolytes
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID RESEARCH-AND-DEVELOPMENT; ENERGY-STORAGE; CARBON FELT; ELECTRODES;
PROGRESS; PERFORMANCE; CHALLENGES; CONVERSION; COBALT
AB We have demonstrated a new ferri/ferrocyanide - polysulfide (Fe/S) flow battery, which employs less corrosive, relatively environmentally benign neutral alkali metal ferri/ferrocyanide and alkali metal polysulfides as the active redox couples. A cobalt nanoparticle -decorated graphite felt was used at the polysulfide side as the catalyst. Excellent electrochemical performance was successfully acquired in the Fe/S flow cells with high cell efficiencies (99% coulombic efficiency and similar to 74% energy efficiency) and good cycling stability over extended charge/discharge operations. The positive half-cell appears to be the performance - limiting side in the Fe/S flow battery determined by using a carbon cloth probe. The inexpensive redox materials and possibly cell part materials can lead to reduced capital cost, making the Fe/S flow battery a promising cost-effective energy storage technology candidate. (C) 2015 The Electrochemical Society. All rights reserved.
C1 [Wei, Xiaoliang; Kirby, Brent; Thomsen, Ed; Li, Bin; Nie, Zimin; Graff, Gordon G.; Liu, Jun; Sprenkle, Vincent; Wang, Wei] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Xia, Guan-Guang] UniEnergy Technol LLC, Mukilteo, WA 98275 USA.
RP Wei, XL (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM Xiaoliang.Wei@pnnl.gov; Wei.Wang@pnnl.gov
RI Wang, Wei/F-4196-2010
OI Wang, Wei/0000-0002-5453-4695
FU LDRD office of Pacific Northwest National Laboratory (PNNL) through
Transformational Materials Science Initiative (TMSI); U.S. Department of
Energy's (DOE's) Office of Electricity Delivery and Energy Reliability
(OE) [57558]; DOE [DOE-AC05-76RL01830]
FX The authors acknowledge the financial support from the LDRD office of
Pacific Northwest National Laboratory (PNNL) through Transformational
Materials Science Initiative (TMSI) and from the U.S. Department of
Energy's (DOE's) Office of Electricity Delivery and Energy Reliability
(OE) under Contract No. 57558. PNNL is a multi-program national
laboratory operated for DOE by Battelle under Contract
DOE-AC05-76RL01830.
NR 32
TC 2
Z9 2
U1 5
U2 42
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2016
VL 163
IS 1
BP A5150
EP A5153
DI 10.1149/2.0221601jes
PG 4
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CY1PS
UT WOS:000366180300021
ER
PT J
AU Weber, AZ
Nguyen, TV
AF Weber, Adam Z.
Trung Van Nguyen
TI Redox Flow Batteries-Reversible Fuel Cells
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Editorial Material
C1 [Weber, Adam Z.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Trung Van Nguyen] Univ Kansas, Dept Chem & Petr Engn, Lawrence, KS 66045 USA.
RP Weber, AZ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM azweber@lbnl.gov; cptvn@ku.edu
NR 0
TC 1
Z9 1
U1 4
U2 22
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 0013-4651
EI 1945-7111
J9 J ELECTROCHEM SOC
JI J. Electrochem. Soc.
PY 2016
VL 163
IS 1
BP Y1
EP Y1
DI 10.1149/2.0331601jes
PG 1
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA CY1PS
UT WOS:000366180300001
ER
PT J
AU Sylak-Glassman, EJ
Zaks, J
Amarnath, K
Leuenberger, M
Fleming, GR
AF Sylak-Glassman, Emily J.
Zaks, Julia
Amarnath, Kapil
Leuenberger, Michelle
Fleming, Graham R.
TI Characterizing non-photochemical quenching in leaves through
fluorescence lifetime snapshots
SO PHOTOSYNTHESIS RESEARCH
LA English
DT Article
DE Arabidopsis thaliana; Chlorophyll; Fluorescence lifetime; Fluorescence
yield; Non-photochemical quenching
ID PHOTOSYSTEM-II; CHLOROPHYLL FLUORESCENCE; ARABIDOPSIS LEAVES;
ENERGY-DISSIPATION; IN-VIVO; LIGHT; PHOTOSYNTHESIS; HETEROGENEITY;
ACCLIMATION; ABSORPTION
AB We describe a technique to measure the fluorescence decay profiles of intact leaves during adaptation to high light and subsequent relaxation to dark conditions. We show how to ensure that photosystem II reaction centers are closed and compare data for wild type Arabidopsis thaliana with conventional pulse-amplitude modulated (PAM) fluorescence measurements. Unlike PAM measurements, the lifetime measurements are not sensitive to photobleaching or chloroplast shielding, and the form of the fluorescence decay provides additional information to test quantitative models of excitation dynamics in intact leaves.
C1 [Sylak-Glassman, Emily J.; Amarnath, Kapil; Leuenberger, Michelle; Fleming, Graham R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Sylak-Glassman, Emily J.; Zaks, Julia; Amarnath, Kapil; Leuenberger, Michelle; Fleming, Graham R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Zaks, Julia; Fleming, Graham R.] Univ Calif Berkeley, Grad Program Appl Sci & Technol, Berkeley, CA 94720 USA.
RP Fleming, GR (reprint author), IDA Sci & Technol Policy Inst, 1899 Penn Ave Suite 520, Washington, DC 20006 USA.
EM grfleming@lbl.gov
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Chemical Sciences, Geosciences, and Biosciences Division;
National Science Foundation
FX This material is based upon work supported by the U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences, Chemical
Sciences, Geosciences, and Biosciences Division. E. J. S.-G. was
partially supported by a National Science Foundation Graduate Research
Fellowship.
NR 27
TC 1
Z9 1
U1 6
U2 26
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 2016
VL 127
IS 1
SI SI
BP 69
EP 76
DI 10.1007/s11120-015-0104-2
PG 8
WC Plant Sciences
SC Plant Sciences
GA CY1HD
UT WOS:000366156400008
PM 25762378
ER
PT J
AU Das, S
Bhattacharya, RN
Mandal, KC
AF Das, Sandip
Bhattacharya, Raghu N.
Mandal, Krishna C.
TI Performance limiting factors of Cu2ZnSn(SxSe1-x)(4) solar cells prepared
by thermal evaporation
SO SOLAR ENERGY MATERIALS AND SOLAR CELLS
LA English
DT Article
DE CZTSSe; Thin film; Solar cell; Thermal evaporation; Earth-abundant
ID CZTS THIN-FILMS; EFFICIENCY; CU2ZNSNSE4; PRECURSORS; DEPOSITION;
ABSORBER
AB Cu2ZnSn(SxSe1-x)(4) (CZTSSe) thin film solar cells have been prepared by vacuum-based thermal evaporation of metal and binary sulfide precursors followed by annealing in a mixed chalcogen vapor at 550 degrees C for one hour. The Zn/Sn ratio in the precursor was varied from 0.75 to 1.50 keeping the Cu/(Zn+Sn) ratio constant at 0.7. The best performing solar cell was obtained with a final film composition of Cul(Zn+Sn)=0.77 and Zn/Sn=1.13 corresponding to a Zn/Sn ratio of 0.9 in the precursor. The champion cell exhibited an open-circuit voltage (V-OC) of 506 my, short-circuit current density (J(SC)) of 22.92 mA/cm(2), and a fill factor (FF) of 35% resulting in a total area efficiency (eta) of 4.06% without any antireflection coating. Cell performance was found to be limited by high series resistance (R-S)=31.1 Omega and a low shunt resistance (R-sh)=125.2 Omega. No detrimental secondary phases, such as Cu2-xS(Se) or ZnS were detected in the absorber film. Microstructural investigation suggested that small multigrain structure of the CZTSSe absorber layer, presence of an interfacial Mo(S,Se)(x) blocking barrier, and microair-voids at the Mo back contact are the -Major contributors to the origin of high R-s. Morphological study of the CZTSSe film surface by atomic force microscopy revealed micro-pores that act as low resistance shunt paths and explains the source of such low R-sh. The performance limiting factors of the vacuum based thermally evaporated CZTSSe thin film solar cells are reported. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Das, Sandip; Mandal, Krishna C.] Univ S Carolina, Dept Elect Engn, Columbia, SC 29208 USA.
[Bhattacharya, Raghu N.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Mandal, KC (reprint author), Univ S Carolina, Dept Elect Engn, Columbia, SC 29208 USA.
EM mandalk@cec.sc.edu
OI Das, Sandip/0000-0002-7336-9568
FU DARPA [N66001-10-1-4031]; Alliance for Sustainable Energy, LLC
[DE-AC36-08GO28308]; U.S. Department of Energy (LDRD program)
FX The authors (S. Das and K.C. Mandal) acknowledge partial financial
support provided by DARPA (Grant # N66001-10-1-4031) for this
investigation. One of the authors (R.N. Bhattacharya, NREL) would like
to acknowledge partial financial support from 'Alliance for Sustainable
Energy, LLC', under Contract number DE-AC36-08GO28308 with the U.S.
Department of Energy (LDRD program).
NR 33
TC 1
Z9 1
U1 7
U2 41
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 2016
VL 144
BP 347
EP 351
DI 10.1016/j.solmat.2015.09.012
PG 5
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA CY2FJ
UT WOS:000366223900044
ER
PT J
AU Barzi, E
Bestetti, M
Reginato, F
Turrioni, D
Franz, S
AF Barzi, E.
Bestetti, M.
Reginato, F.
Turrioni, D.
Franz, S.
TI Synthesis of superconducting Nb3Sn coatings on Nb substrates
SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY
LA English
DT Article
DE Nb3Sn thin films; electrochemical deposition; x-ray diffraction
ID FABRICATION; FILAMENTS; MODEL
AB In the present work the electrochemical and thermal syntheses of superconducting Nb3Sn films are investigated. The Nb3Sn phase is obtained by electrodeposition of Sn layers and Cu intermediate layers onto Nb substrates followed by high temperature diffusion in inert atmosphere. Electrodeposition was performed from aqueous solutions at current densities in the 20-50 mA cm(-2) range and at temperatures between 40 degrees C and 50 degrees C. Subsequent thermal treatments were realized to obtain the Nb3Sn superconductive phase. Glow discharge optical emission spectrometry demonstrated that after thermal treatment interdiffusion of Nb and Sn occurred across a thickness of about 13 mu m. Scanning electron microscopy allowed accurately measuring the thickness of the Nb3Sn phase, whose average for the various types of film samples was between 5.7 and 8.0 mu m. X-ray diffraction patterns confirmed the presence of a cubic Nb3Sn phase (A15 structure) having (210) preferred orientation. The maximum obtained T-c was 17.68 K and the B-c20 ranged between 22.5 and 23.8 T. With the procedure described in the present paper, coating complex shapes cost-effectively becomes possible, which is typical of electrochemical techniques. Furthermore, this approach can be implemented in classical wire processes such as `jelly roll' or 'rod in tube', or directly used for producing superconducting surfaces. The potential of this method for superconducting radiofrequency structures is also outlined.
C1 [Bestetti, M.; Reginato, F.; Franz, S.] Politecn Milan, Dept Chem Mat & Chem Engn Giulio Natta, I-720131 Milan, Italy.
[Barzi, E.; Turrioni, D.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Barzi, E (reprint author), Politecn Milan, Dept Chem Mat & Chem Engn Giulio Natta, Via Mancinelli, I-720131 Milan, Italy.
EM barzi@fnal.gov
FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; U.S. Department of
Energy
FX E Barzi thanks Pei Li for performing the SEM cross-sectional analyses,
and Charles Reece, Grigory Eremeev, Anne Marie Valente, Rongli Geng,
Thomas Proslier, Peter Ostroumov, EJ Taylor, Akira Yamamoto, Hayano
Hitoshi, and Enzo Palmieri for useful discussions and insights. This
work was partially supported by Fermi Research Alliance, LLC, under
contract No. DE-AC02-07CH11359 with the U.S. Department of Energy.
NR 35
TC 2
Z9 2
U1 1
U2 15
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0953-2048
EI 1361-6668
J9 SUPERCOND SCI TECH
JI Supercond. Sci. Technol.
PD JAN
PY 2016
VL 29
IS 1
AR 015009
DI 10.1088/0953-2048/29/1/015009
PG 12
WC Physics, Applied; Physics, Condensed Matter
SC Physics
GA CY4KR
UT WOS:000366377500012
ER
PT J
AU Kesgin, I
Khatri, N
Liu, YH
Delgado, L
Galstyan, E
Selvamanickam, V
AF Kesgin, Ibrahim
Khatri, Narayan
Liu, Yuhao
Delgado, Louis
Galstyan, Eduard
Selvamanickam, Venkat
TI Influence of superconductor film composition on adhesion strength of
coated conductors
SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY
LA English
DT Article
DE delamination; peel test; REBCO; filamentary; adhesion; 2G-HTS
ID PEEL TEST; PERFORMANCE; STRESS; COIL
AB The effect of high temperature superconductor (HTS) film composition on the adhesion strength of rare-earth barium copper oxide coated conductors ( CCs) has been studied. It has been found that the mechanical integrity of the superconductor layer is very susceptible to the defects especially those along the ab plane, probably due to the weak interfaces between the defects and the matrix. Gd and Y in the standard composition were substituted with Sm and the number of in-plane defects was drastically reduced. Consequently, a four-fold increase in adhesion or peeling strength in Sm-based CCs was achieved compared to the standard GdYBCO samples.
C1 [Kesgin, Ibrahim] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Khatri, Narayan; Liu, Yuhao; Delgado, Louis; Galstyan, Eduard; Selvamanickam, Venkat] Univ Houston, Dept Mech Engn, Houston, TX 77204 USA.
[Khatri, Narayan; Liu, Yuhao; Delgado, Louis; Galstyan, Eduard; Selvamanickam, Venkat] Univ Houston, Texas Ctr Superconduct, Houston, TX 77204 USA.
RP Kesgin, I (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave B109, Argonne, IL 60439 USA.
EM ikesgin@anl.gov
RI Kesgin, Ibrahim/A-4178-2012
FU SuperPower Inc.
FX This work was partially supported by SuperPower Inc. One of the authors
(VS) served as a technical advisor to SuperPower Inc. during the period
of performance of this work.
NR 24
TC 4
Z9 4
U1 0
U2 18
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0953-2048
EI 1361-6668
J9 SUPERCOND SCI TECH
JI Supercond. Sci. Technol.
PD JAN
PY 2016
VL 29
IS 1
AR 015003
DI 10.1088/0953-2048/29/1/015003
PG 10
WC Physics, Applied; Physics, Condensed Matter
SC Physics
GA CY4KR
UT WOS:000366377500006
ER
PT J
AU Stokes, A
Al-Jassim, M
Diercks, DR
Egaas, B
Gorman, B
AF Stokes, Adam
Al-Jassim, Mowafak
Diercks, David R.
Egaas, Brian
Gorman, Brian
TI 3-D point defect density distributions in thin film Cu(In,Ga)Se-2
measured by atom probe tomography
SO ACTA MATERIALIA
LA English
DT Article
DE Thin film photovoltaics; Ordered vacancy compounds (OVC); Atom probe
tomography; Point defect density; Transmission electron microscopy
ID CUINSE2
AB This paper will discuss the findings of an ordered vacancy compound (OVC) phase that exists deep into the bulk of a high-efficiency Cu(In,Ga)Se-2 (CIGS) absorber that is shown to be a result of many ordered defect pairs of 2V(Cu) + (In,Ga)(Cu) as determined by atom probe tomography (APT). To date, literature has shown that absorbers grown with the three-step process exhibit the OVC Cu(In,Ga)(3)Se-5 (135 phase) only within the first few nanometers from the CdS/CIGSe interface and at grain boundaries. In this contribution, we have found a small volume (100 nm x 100 nm x 300 nm) of an OVC phase to exist about 400 nm into the absorber. We show through concentration and density profiles that the concentration change from the stoichiometric Cu(In,Ga)Se-2 to the OVC is indeed a result of many ordered defect pairs. We use this volume to perform point defect density distributions to give unique insight to the band structure at the nanoscale. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
C1 [Stokes, Adam; Diercks, David R.; Gorman, Brian] Colorado Sch Mines, Golden, CO 80401 USA.
[Stokes, Adam; Al-Jassim, Mowafak; Egaas, Brian] Natl Renewable Energy Lab, Golden, CO USA.
RP Stokes, A (reprint author), Colorado Sch Mines, 1500 Illinois St, Golden, CO 80401 USA.
EM adstokes@mines.edu; mowafak.aljassim@nrel.gov; ddiercks@mines.edu;
brian.egaas@nrel.gov; bgorman@mines.edu
FU U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable
Energy Laboratory; NSF [1040456]
FX This work was supported by the U.S. Department of Energy under Contract
No. DE-AC36-08-GO28308 with the National Renewable Energy Laboratory.
The atom probe used in this research is supported by NSF Award Number
1040456.
NR 23
TC 0
Z9 0
U1 1
U2 21
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 2016
VL 102
BP 32
EP 37
DI 10.1016/j.actamat.2015.09.035
PG 6
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA CX0ED
UT WOS:000365368800004
ER
PT J
AU Yeddu, HK
Zong, HX
Lookman, T
AF Yeddu, Hemantha Kumar
Zong, Hongxiang
Lookman, Turab
TI Alpha - omega and omega - alpha phase transformations in zirconium under
hydrostatic pressure: A 3D mesoscale study
SO ACTA MATERIALIA
LA English
DT Article
DE Phase-field method; Martensitic transformation; Omega phase;
Microstructure; Zirconium
ID MARTENSITIC TRANSFORMATIONS; FIELD MODEL; MICROSTRUCTURE EVOLUTION;
STAINLESS-STEELS; PLASTIC-ACCOMMODATION; POLYCRYSTALS; SIMULATION;
KINETICS; ZR; AUSTENITE
AB A three dimensional (3D) elastoplastic phase-field model is developed for modeling the hydrostatic pressure-induced alpha - omega phase transformation and the reverse phase transformation, i.e. omega - alpha, in zirconium (Zr). Plastic deformation and strain hardening of the material are also considered in the model. The microstructure evolution during both phase transformations is studied. The transformation start pressures at different temperatures are predicted and are plotted as a phase diagram. The effect of phase transformations on the mechanical properties of the material is also studied. The input data corresponding to pure Zr are acquired from experimental studies as well as by using the CALPHAD method. Our simulations show that three different omega variants form as laths. On release of pressure, reverse phase transformation initiates at lath boundaries. We observe that both phase transformations are martensitic in nature and also occur at the same pressure, i.e. little hysteresis. The transformation start pressures and the kinetics of the transformation predicted by our model are in good agreement with experimental results. (C) 2015 Acts Materialia Inc. Published by Elsevier Ltd. All rights reserved.
C1 [Yeddu, Hemantha Kumar; Zong, Hongxiang; Lookman, Turab] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Zong, Hongxiang] Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China.
RP Yeddu, HK (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
EM hemy@lanl.gov
FU U.S. Department of Energy; U.S. Department of Energy [DE-AC52-06NA25396]
FX This work was supported by the U.S. Department of Energy. This research
used resources provided by the Los Alamos National Laboratory
Institutional Computing Program, which is supported by the U.S.
Department of Energy under Contract No. DE-AC52-06NA25396.
NR 49
TC 2
Z9 2
U1 4
U2 12
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 2016
VL 102
BP 97
EP 107
DI 10.1016/j.actamat.2015.09.005
PG 11
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA CX0ED
UT WOS:000365368800011
ER
PT J
AU He, JY
Wang, H
Huang, HL
Xu, XD
Chen, MW
Wu, Y
Liu, XJ
Nieh, TG
An, K
Lu, ZP
AF He, J. Y.
Wang, H.
Huang, H. L.
Xu, X. D.
Chen, M. W.
Wu, Y.
Liu, X. J.
Nieh, T. G.
An, K.
Lu, Z. P.
TI A precipitation-hardened high-entropy alloy with outstanding tensile
properties
SO ACTA MATERIALIA
LA English
DT Article
DE High-entropy alloys; Precipitation hardening; Strengthening mechanisms;
Mechanical properties; 3 dimensional atom probe tomography
ID MECHANICAL-PROPERTIES; NANOCRYSTALLINE NI; STRENGTHENING MECHANISMS;
ELEVATED-TEMPERATURES; PRINCIPAL ELEMENTS; GRAIN-GROWTH; MICROSTRUCTURE;
BEHAVIOR; STRAIN; CR
AB Recent studies indicated that high-entropy alloys (HEAs) possess unusual structural and thermal features, which could greatly affect dislocation motion and contribute to the mechanical performance, however, a HEA matrix alone is insufficiently strong for engineering applications and other strengthening mechanisms are urgently needed to be incorporated. In this work, we demonstrate the possibility to precipitate nanosized coherent reinforcing phase, i.e., L1(2)-Ni-3(TLA1), in a fcc-FeCoNiCr HEA matrix using minor additions of Ti and Al. Through thermomechanical processing and microstructure controlling, extraordinary balanced tensile properties at room temperature were achieved, which is due to a well combination of various hardening mechanisms, particularly precipitation hardening. The applicability and validity of the conventional strengthening theories are also discussed. The current work is a successful demonstration of using integrated strengthening approaches to manipulate the properties of fcc-HEA systems, and the resulting findings are important not only for understanding the strengthening mechanisms of metallic materials in general, but also for the future development of high-performance HEAs for industrial applications. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
C1 [He, J. Y.; Wang, H.; Huang, H. L.; Wu, Y.; Liu, X. J.; Lu, Z. P.] Univ Sci & Technol Beijing, State Key Lab Adv Met & Mat, Beijing 100083, Peoples R China.
[Xu, X. D.; Chen, M. W.] Tohoku Univ, Adv Inst Mat Res, Sendai, Miyagi 9808577, Japan.
[Nieh, T. G.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[An, K.] Oak Ridge Natl Lab, Spallat Neutron Source, Knoxville, TN 37996 USA.
RP Lu, ZP (reprint author), Univ Sci & Technol Beijing, State Key Lab Adv Met & Mat, Beijing 100083, Peoples R China.
EM luzp@ustb.edu.cn
RI Lu, Zhao-Ping/A-2718-2009; An, Ke/G-5226-2011; Chen,
Mingwei/A-4855-2010; Liu, Xiong-Jun/C-7119-2009;
OI An, Ke/0000-0002-6093-429X; Chen, Mingwei/0000-0002-2850-8872; Lu, Z.
P./0000-0003-1463-8948
FU National Natural Science Foundation of China [51531001, 51422101,
51271212, 51371003]; 111 Project [B07003]; International S&T Cooperation
Program of China [2015DFG52600]; Program for Changjiang Scholars and
Innovative Research Team in University [IRT_14R05]; US National Science
Foundation [DMR-1408722]; Scientific User Facilities Division, Office of
Basic Energy Sciences, US Department of Energy
FX This research was supported by National Natural Science Foundation of
China (51531001, 51422101 and 51271212, 51371003), 111 Project (B07003),
International S&T Cooperation Program of China (2015DFG52600) and
Program for Changjiang Scholars and Innovative Research Team in
University (IRT_14R05). TGN acknowledges the support of US National
Science Foundation under Contract DMR-1408722. The portion of this
research at ORNL's Spallation Neutron Source was sponsored by the
Scientific User Facilities Division, Office of Basic Energy Sciences, US
Department of Energy.
NR 44
TC 46
Z9 47
U1 69
U2 180
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 2016
VL 102
BP 187
EP 196
DI 10.1016/j.actamat.2015.08.076
PG 10
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA CX0ED
UT WOS:000365368800020
ER
PT J
AU Monroe, JA
Gehring, D
Karaman, I
Arroyave, R
Brown, DW
Clausen, B
AF Monroe, J. A.
Gehring, D.
Karaman, I.
Arroyave, R.
Brown, D. W.
Clausen, B.
TI Tailored thermal expansion alloys
SO ACTA MATERIALIA
LA English
DT Article
DE Coefficient of thermal expansion; Negative coefficient of thermal
expansion; Martensitic transformation; Shape memory alloys; Anisotropy
ID MARTENSITIC-TRANSFORMATION; CONTRACTION; ZRW2O8; STRAIN
AB Current approaches to tailoring the thermal expansion coefficient of materials or finding materials with negative thermal expansion rely on careful manipulation of either the material's composition and/or the complex fabrication of composites. Here, by contrast, we report a new principle that enables the precise control of macroscopic thermal expansion response of bulk materials via crystallographic texture manipulation and by taking advantage of anisotropic Coefficients of Thermal Expansion (CTE) in a large class of martensitically transforming materials. Through simple thermo-mechanical processing, it is possible to tailor the thermal expansion response of a single material--without manipulating its composition--over a wide range of positive and negative values. We demonstrate this principle by gradually tuning the macroscopic CTE in a model NiTiPd alloy between a positive (+14.90 x 10(-6) K-1) and a negative (-3.06 x 10(-6) K-1) value, simply by incrementally increasing tensile plastic deformation in the martensite phase. This surprising response is linked to the large positive, +51.33 x 10(-6) K-1, and negative, -34.51 x 10(-6) K-1, CTE anisotropy, at the lattice level, along the different crystal directions in martensite. Similar CTE anisotropy is also shown experimentally in CoNiGa and TiNb alloys. In a model TiNb alloy, giant macroscopic CTEs of +181 x 10(-6) K-1 and -142 x 10(-6) K-1 are measured. A connection between the CTE anisotropy and the martensitic transformation in these and other materials systems such as NiTi, pure uranium, and PbTiO3 is later made. It is shown that negative or positive thermal expansion crystallographic directions are connected to the crystallographic relationship between the austenite and martensite lattices, and can easily be predicted using the lattice parameters of austenite and martensite phases. Our current observations and analyses suggest that the tunability of the macroscopic CE through thermo-mechanical processing is universal in materials--both ceramic and metals--that undergo martensitic transformations. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
C1 [Monroe, J. A.; Gehring, D.; Karaman, I.; Arroyave, R.] Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 USA.
[Brown, D. W.; Clausen, B.] Los Alamos Natl Lab, MST 8, Los Alamos, NM USA.
RP Karaman, I (reprint author), Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 USA.
EM ikaraman@tamu.edu
RI Clausen, Bjorn/B-3618-2015;
OI Clausen, Bjorn/0000-0003-3906-846X; Karaman, Ibrahim/0000-0001-6461-4958
FU National Science Foundation, Division of Material Research Metals and
Metallic Nanostructures Program [0909170]; US Air Force Office of
Scientific Research [FA9550-15-1-0287]; National Science Foundation [DMR
08-44082]; US Department of Energy's Office of Basic Energy Sciences; US
DOE [DE-AC52-06NA25396]
FX This work was supported by National Science Foundation, Division of
Material Research Metals and Metallic Nanostructures Program, Grant No.
0909170, and additional support was received from the US Air Force
Office of Scientific Research, under grant No. FA9550-15-1-0287, and the
National Science Foundation under Grant No. DMR 08-44082, which supports
the International Materials Institute for Multi-functional Materials for
Energy Conversion (IIMEC) at Texas A&M University. The work has also
benefited from the use of SMARTS and HIPD at the Lujan Center at Los
Alamos Neutron Science Center, funded by the US Department of Energy's
Office of Basic Energy Sciences. Los Alamos National Laboratory is
operated by Los Alamos National Security LLC under US DOE Contract
DE-AC52-06NA25396. The authors thank Dr. Trudy Kriven and Kevin Seymour
from the University of Thermal Expansion Analysis Suite (CTEAS).
NR 22
TC 7
Z9 7
U1 19
U2 57
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 2016
VL 102
BP 333
EP 341
DI 10.1016/j.actamat.2015.09.012
PG 9
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA CX0ED
UT WOS:000365368800034
ER
PT J
AU Long, F
Balogh, L
Brown, DW
Mosbrucker, P
Skippon, T
Judge, CD
Daymond, MR
AF Long, Fei
Balogh, Levente
Brown, Donald W.
Mosbrucker, Paula
Skippon, Travis
Judge, Colin D.
Daymond, Mark R.
TI Effect of neutron irradiation on deformation mechanisms operating during
tensile testing of Zr-2.5Nb
SO ACTA MATERIALIA
LA English
DT Article
DE Zirconium alloys; Neutron diffraction; Irradiation effect; Plastic
deformation
ID ZIRCONIUM SINGLE-CRYSTALS; ROOM-TEMPERATURE DEFORMATION;
STRESS-CORROSION CRACKING; ACTIVATED SLIP SYSTEMS; PRESSURE TUBE
MATERIAL; TEXTURE ANALYSIS; UNIAXIAL DEFORMATION; PLASTIC-DEFORMATION;
PROTON IRRADIATION; TOF DIFFRACTOMETER
AB In situ neutron diffraction has been carried out on fast neutron irradiated Zr-2.5Nb pressure tube and non-irradiated Zr-2.5Nb pressure tube samples, with tensile deformation applied along two texture directions. Through the evolution of intergranular strains with applied stress, as measured via the lattice strains of individual grain families, the deformation mechanism of the pressure tube material with and without fast neutron irradiation has been studied. Prismatic < a >, basal < a > and pyramidal < c + a > has been found to operate in both irradiated and non-irradiated Zr-2.5Nb alloy at different stress levels. Furthermore, by line profile analysis, it is shown that the density of type < a > dislocations in the irradiated sample changed very little during deformation, whereas the density of pyramidal < c + a > dislocations increased continuously with plastic strain once plastic deformation started. Therefore, it is found that the neutron irradiation induced defects selectively harden prismatic < a > and basal < a > slip, and have very small impact on the operation of pyramidal < c + a > slip system. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
C1 [Long, Fei; Balogh, Levente; Skippon, Travis; Daymond, Mark R.] Queens Univ, Dept Mech & Mat Engn, Kingston, ON K7L 3N6, Canada.
[Brown, Donald W.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
[Mosbrucker, Paula] Kinectrics Inc, Toronto, ON M8Z 5G5, Canada.
[Judge, Colin D.] Canadian Nucl Labs, Deep River, ON K0J 1P0, Canada.
RP Daymond, MR (reprint author), Queens Univ, Dept Mech & Mat Engn, Nicol Hall, Kingston, ON K7L 3N6, Canada.
EM mark.daymond@queensu.ca
RI Balogh, Levente/S-1238-2016;
OI Daymond, Mark/0000-0001-6242-7489; Long, Fei/0000-0002-6522-8407
FU DOE Office of Basic Energy Sciences; DOE [DE-AC52-06NA25396]; LDRD
project at LANL [20110619ER]
FX This work has benefited from the use of NPDF at the Lujan Center at Los
Alamos Neutron Science Center, funded by DOE Office of Basic Energy
Sciences. Los Alamos National Laboratory is operated by Los Alamos
National Security LLC under DOE Contract DE-AC52-06NA25396. This work
has been funded in part by LDRD project # 20110619ER at LANL. The
investigated Zr-2.5Nb pressure tube material was supplied by CANDU
Owners Group under WP-10618 and the irradiation was performed by Bruce
Power (Tiverton, Ontario, Canada). We appreciate support of scientists
from Canadian Nuclear Laboratories, including E. Nicholson for assisting
in some of the measurements, and Dr. Malcolm Griffiths for valuable
comments on an early draft.
NR 55
TC 2
Z9 3
U1 4
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 2016
VL 102
BP 352
EP 363
DI 10.1016/j.actamat.2015.09.032
PG 12
WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical
Engineering
SC Materials Science; Metallurgy & Metallurgical Engineering
GA CX0ED
UT WOS:000365368800036
ER
PT J
AU Calvey, CH
Su, YK
Willis, LB
McGee, M
Jeffries, TW
AF Calvey, Christopher H.
Su, Yi-Kai
Willis, Laura B.
McGee, McSean
Jeffries, Thomas W.
TI Nitrogen limitation, oxygen limitation, and lipid accumulation in
Lipomyces starkeyi
SO BIORESOURCE TECHNOLOGY
LA English
DT Article
DE Oleaginous yeast; Aeration; C:N ratio; Polyols; Hydrolysate
ID CELL OIL PRODUCTION; RHODOTORULA-GLUTINIS; BIODIESEL PRODUCTION;
YARROWIA-LIPOLYTICA; CO-FERMENTATION; YEAST; GLUCOSE; XYLOSE;
MICROORGANISMS; CULTIVATION
AB Lipid production by oleaginous yeasts is optimal at high carbon-to-nitrogen ratios. In the current study, nitrogen and carbon consumption by Lipomyces starkeyi were directly measured in defined minimal media with nitrogen content and agitation rates as variables. Shake flask cultures with an initial C: N ratio of 72:1 cultivated at 200 rpm resulted in a lipid output of 10 g/L, content of 55%, yield of 0.170 g/g, and productivity of 0.06 g/L/h. All of these values decreased by approximate to 50-60% when the agitation rate was raised to 300 rpm or when the C: N ratio was lowered to 24:1, demonstrating the importance of these parameters. Under all conditions, L. starkeyi cultures tolerated acidified media ( pH approximate to 2.6) without difficulty, and produced considerable amounts of alcohols; including ethanol, mannitol, arabitol, and 2,3-butanediol. L. starkeyi also produced lipids from a corn stover hydrolysate, showing its potential to produce biofuels from renewable agricultural feedstocks. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Calvey, Christopher H.; Su, Yi-Kai; Willis, Laura B.; Jeffries, Thomas W.] Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA.
[Calvey, Christopher H.; Su, Yi-Kai; Willis, Laura B.; McGee, McSean; Jeffries, Thomas W.] Univ Wisconsin, Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA.
[Willis, Laura B.; Jeffries, Thomas W.] USDA Forest Serv, Inst Microbial & Biochem Technol, Forest Prod Lab, Madison, WI 53726 USA.
RP Jeffries, TW (reprint author), Univ Wisconsin, Dept Bacteriol, 1531 Microbial Sci Bldg,1550 Linden Dr, Madison, WI 53706 USA.
EM twjeffri@wisc.edu
OI Calvey, Christopher/0000-0002-7330-4983
FU Department of Energy Great Lakes Bioenergy Research Center (DOE Office
of Science BER) [DE-FC02-07ER64494]; Graduate School of University of
Wisconsin-Madison
FX This work was funded in part by the Department of Energy Great Lakes
Bioenergy Research Center (DOE Office of Science BER DE-FC02-07ER64494).
CHC was supported in part through a grant entitled "Investigation of
Lipid Accumulation in Lipomyces starkeyi" awarded by the Graduate School
of University of Wisconsin-Madison to TWJ. CHC gratefully acknowledges
Kenneth Hammel for sponsorship at the USDA Forest Products Laboratory,
and Nancy Keller for microscopy assistance.
NR 35
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U1 11
U2 44
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0960-8524
EI 1873-2976
J9 BIORESOURCE TECHNOL
JI Bioresour. Technol.
PD JAN
PY 2016
VL 200
BP 780
EP 788
DI 10.1016/j.biortech.2015.10.104
PG 9
WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy &
Fuels
SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels
GA CX6LB
UT WOS:000365811200099
PM 26580895
ER
PT J
AU Huang, C
Li, ZL
Chen, F
Liu, Q
Zhao, YK
Gao, LF
Chen, C
Zhou, JZ
Wang, AJ
AF Huang, Cong
Li, Zhi-ling
Chen, Fan
Liu, Qian
Zhao, You-kang
Gao, Ling-fang
Chen, Chuan
Zhou, Ji-zhong
Wang, Ai-jie
TI Efficient regulation of elemental sulfur recovery through optimizing
working height of upflow anaerobic sludge blanket reactor during
denitrifying sulfide removal process
SO BIORESOURCE TECHNOLOGY
LA English
DT Article
DE Denitrifying sulfide removal (DSR) process; S-0 recovery rate; Upflow
anaerobic sludge blanket (UASB) reactor; Effective reactor working
height/volume; Bacterial community
ID MICROBIAL COMMUNITY STRUCTURE; UASB REACTOR
AB In this study, two lab-scale UASB reactors were established to testify S-0 recovery efficiency, and one of which (M-UASB) was improved from the previous T-UASB by shortening reactor height once S-2 over oxidation was observed. After the height was shortened from 60 to 30 cm, S-0 recovery rate was improved from 7.4% to 78.8%, and while, complete removal of acetate, nitrate and S-2 was simultaneously maintained. Meanwhile, bacterial community distribution was homogenous throughout the reactor, with denitrifying sulfide oxidization bacteria predominant, such as Thauera and Azoarcus spp., indicating the optimized condition for S-0 recovery. The effective control of working height/volume in reactors plays important roles for the efficient regulation of S-0 recovery during DSR process. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Huang, Cong; Li, Zhi-ling; Chen, Fan; Liu, Qian; Zhao, You-kang; Chen, Chuan; Wang, Ai-jie] Harbin Inst Technol, State Key Lab Urban Water Resource & Environm, Harbin 150090, Peoples R China.
[Gao, Ling-fang; Wang, Ai-jie] Chinese Acad Sci, Key Lab Environm Biotechnol, Ecoenvironm Sci Res Ctr, Beijing 100085, Peoples R China.
[Zhou, Ji-zhong] Univ Oklahoma, Inst Environm Genom, Dept Microbiol & Plant Biol, Norman, OK 73019 USA.
[Zhou, Ji-zhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Wang, AJ (reprint author), Harbin Inst Technol, State Key Lab Urban Water Resource & Environm, Harbin 150090, Peoples R China.
EM waj0578@hit.edu.cn
FU National Natural Science Foundation of China (NSFC) [51408591,
31400104]; National Science Foundation for Distinguished Young Scholars
of China [51225802]; National High-tech R&D Program of China (863
Program) [2011AA060904]; Major Science and Technology Program for Water
Pollution Control and Treatment of China [2014ZX07204-005]; "Hundred
Talents Program" of the Chinese Academy of Sciences; Project 135 of
Chinese Academy of Sciences of China [YSW2013B06]; Fundamental Research
Funds for Central Universities of China [AUGA5710055514]; Science and
Technology Service Network Initiative of Chinese Academy of Sciences of
China [KFJ-EW-STS-102]
FX This research was supported by the National Natural Science Foundation
of China (NSFC, No. 51408591 and 31400104), by National Science
Foundation for Distinguished Young Scholars of China (Grant No.
51225802), by the National High-tech R&D Program of China (863 Program,
Grant No. 2011AA060904), by the Major Science and Technology Program for
Water Pollution Control and Treatment of China (No. 2014ZX07204-005), by
"Hundred Talents Program" of the Chinese Academy of Sciences, by Project
135 of Chinese Academy of Sciences of China (No. YSW2013B06), by
Fundamental Research Funds for Central Universities of China
(AUGA5710055514) and by Science and Technology Service Network
Initiative of Chinese Academy of Sciences of China (No. KFJ-EW-STS-102).
NR 17
TC 5
Z9 5
U1 10
U2 21
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0960-8524
EI 1873-2976
J9 BIORESOURCE TECHNOL
JI Bioresour. Technol.
PD JAN
PY 2016
VL 200
BP 1019
EP 1023
DI 10.1016/j.biortech.2015.09.109
PG 5
WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy &
Fuels
SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels
GA CX6LB
UT WOS:000365811200127
PM 26497112
ER
PT J
AU Sun, L
Singh, S
Joo, M
Vega-Sanchez, M
Ronald, P
Simmons, BA
Adams, P
Auer, M
AF Sun, Lan
Singh, Seema
Joo, Michael
Vega-Sanchez, Miguel
Ronald, Pamela
Simmons, Blake A.
Adams, Paul
Auer, Manfred
TI Non-invasive imaging of cellulose microfibril orientation within plant
cell walls by polarized Raman microspectroscopy
SO BIOTECHNOLOGY AND BIOENGINEERING
LA English
DT Article
DE cellulose microfibril orientation; polarized Raman microspectroscopy;
plant cell wall; brittle culm mutant; director angle; anisotropy
magnitude
ID NEAR-INFRARED SPECTROSCOPY; SECONDARY WALL; SCATTERING MICROSCOPY;
MOLECULAR-ORIENTATION; PICEA-MARIANA; WOOD FIBERS; ANGLE; RICE; TISSUE;
ULTRASTRUCTURE
AB Cellulose microfibrils represent the major scaffold of plant cell walls. Different packing and orientation of the microfibrils at the microscopic scale determines the macroscopic properties of cell walls and thus affect their functions with a profound effect on plant survival. We developed a polarized Raman microspectroscopic method to determine cellulose microfibril orientation within rice plant cell walls. Employing an array of point measurements as well as area imaging and subsequent Matlab-assisted data processing, we were able to characterize the distribution of cellulose microfibril orientation in terms of director angle and anisotropy magnitude. Using this approach we detected differences between wild type rice plants and the rice brittle culm mutant, which shows a more disordered cellulose microfibril arrangement, and differences between different tissues of a wild type rice plant. This novel non-invasive Raman imaging approach allows for quantitative assessment of cellulose fiber orientation in cell walls of herbaceous plants, an important advancement in cell wall characterization. Biotechnol. Bioeng. 2016;113: 82-90. (c) 2015 Wiley Periodicals, Inc.
C1 [Sun, Lan; Adams, Paul; Auer, Manfred] Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Div Technol, Emeryville, CA USA.
[Sun, Lan; Singh, Seema; Simmons, Blake A.] Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Deconstruct Div, Emeryville, CA USA.
[Sun, Lan; Singh, Seema; Simmons, Blake A.] Sandia Natl Labs, Biol & Engn Sci Ctr, Livermore, CA USA.
[Joo, Michael; Auer, Manfred] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
[Vega-Sanchez, Miguel; Ronald, Pamela] Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Feedstocks Div, Emeryville, CA USA.
[Vega-Sanchez, Miguel; Adams, Paul] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Ronald, Pamela] Univ Calif Davis, Dept Plant Pathol, Davis, CA 95616 USA.
[Ronald, Pamela] Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA.
[Adams, Paul] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA.
RP Auer, M (reprint author), Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Div Technol, Emeryville, CA USA.
EM mauer@lbl.gov
FU U.S. Department of Energy [DE-AC02-05CH11231]
FX Contract grant sponsor: U.S. Department of Energy; Contract grant
number: DE-AC02-05CH11231
NR 38
TC 1
Z9 1
U1 18
U2 48
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 2016
VL 113
IS 1
BP 82
EP 90
DI 10.1002/bit.25690
PG 9
WC Biotechnology & Applied Microbiology
SC Biotechnology & Applied Microbiology
GA CX5ES
UT WOS:000365725500008
PM 26137889
ER
PT J
AU Camporeale, E
Delzanno, GL
Bergen, BK
Moulton, JD
AF Camporeale, E.
Delzanno, G. L.
Bergen, B. K.
Moulton, J. D.
TI On the velocity space discretization for the Vlasov-Poisson system:
Comparison between implicit Hermite spectral and Particle-in-Cell
methods
SO COMPUTER PHYSICS COMMUNICATIONS
LA English
DT Article
DE Vlasov equation; Spectral methods; Multiscale simulations; Plasma
physics
ID SEMI-LAGRANGIAN SCHEMES; NUMERICAL-SOLUTION; PLASMA SIMULATION;
COLLISIONLESS PLASMAS; MAXWELL SYSTEM; PHASE-SPACE; EQUATION;
INTEGRATION; ALGORITHM; ENERGY
AB We describe a spectral method for the numerical solution of the Vlasov-Poisson system where the velocity space is decomposed by means of an Hermite basis, and the configuration space is discretized via a Fourier decomposition. The novelty of our approach is an implicit time discretization that allows exact conservation of charge, momentum and energy. The computational efficiency and the cost-effectiveness of this method are compared to the fully-implicit PIC method recently introduced by Markidis and Lapenta (2011) and Chen et al. (2011). The following examples are discussed: Langmuir wave, Landau damping, ion-acoustic wave, two-stream instability. The Fourier Hermite spectral method can achieve solutions that are several orders of magnitude more accurate at a fraction of the cost with respect to PIC. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Camporeale, E.] Ctr Math & Comp Sci, CWI, Amsterdam, Netherlands.
[Delzanno, G. L.; Moulton, J. D.] Los Alamos Natl Lab, T5 Appl Math & Plasma Phys, Los Alamos, NM 87545 USA.
[Bergen, B. K.] Los Alamos Natl Lab, CCS7 Appl Comp Sci, Los Alamos, NM 87545 USA.
RP Camporeale, E (reprint author), Ctr Math & Comp Sci, CWI, Amsterdam, Netherlands.
EM e.camporeale@cwi.nl
OI Camporeale, Enrico/0000-0002-7862-6383
FU Laboratory Directed Research and Development program (LDRD) under
National Nuclear Security Administration of the U.S. Department of
Energy by Los Alamos National Laboratory [DE-AC52-06NA25396]
FX The authors would like to thank L. Chacon, S. Markidis, V. Roytershteyn,
X. Tang for useful conversations. This work was funded by the Laboratory
Directed Research and Development program (LDRD) under the auspices of
the National Nuclear Security Administration of the U.S. Department of
Energy by Los Alamos National Laboratory, operated by Los Alamos
National Security LLC under contract DE-AC52-06NA25396.
NR 80
TC 3
Z9 3
U1 6
U2 14
PU ELSEVIER SCIENCE BV
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 2016
VL 198
BP 47
EP 58
DI 10.1016/j.cpc.2015.09.002
PG 12
WC Computer Science, Interdisciplinary Applications; Physics, Mathematical
SC Computer Science; Physics
GA CX0EX
UT WOS:000365370800006
ER
PT J
AU Krogel, JT
AF Krogel, Jaron T.
TI Nexus: A modular workflow management system for quantum simulation codes
SO COMPUTER PHYSICS COMMUNICATIONS
LA English
DT Article
DE Workflow management; High-throughput; Electronic structure; Quantum
Monte Carlo; Density functional theory; QMCPACK; Quantum Espresso; VASP
ID INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET;
EQUATION; METALS
AB The management of simulation workflows represents a significant task for the individual computational researcher. Automation of the required tasks involved in simulation work can decrease the overall time to solution and reduce sources of human error. A new simulation workflow management system, Nexus, is presented to address these issues. Nexus is capable of automated job management on workstations and resources at several major supercomputing centers. Its modular design allows many quantum simulation codes to be supported within the same framework. Current support includes quantum Monte Carlo calculations with QMCPACK, density functional theory calculations with Quantum Espresso or VASP, and quantum chemical calculations with GAMESS. Users can compose workflows through a transparent, textbased interface, resembling the input file of a typical simulation code. A usage example is provided to illustrate the process.
Program summary
Program title: Nexus
Catalogue identifier: AEXN_v1_0
Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEXN_v1_0.html
Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland
Licensing provisions: University of Illinois/NCSA Open Source License (UIUC/NCSA)
No. of lines in distributed program, including test data, etc.: 92059
No. of bytes in distributed program, including test data, etc.: 1414101
Distribution format: tar.gz
Programming language: Python.
Computer: Workstations, clusters, and supercomputing resources at OLCF, ALCF, NERSC, NCSA, TACC, and RPI.
Operating system: Linux.
RAM: 100 megabytes
Classification: 6.5, 7.3.
External routines: NumPy. Optionally SciPy, Matplotlib, and H5Py.
Nature of problem: Quantum simulation workflows with multiple dependencies between various electronic structure codes. Job management of simulations on arbitrary workstation and supercomputing environments. Aggregation and analysis of output data.
Solution method: Modular and extensible class-based framework to represent atomic structures, simulation instances, input files, output data, job requests, and host machines. Automatic identification of time ordered simulation networks (workflows) and simultaneous management of independent workflows including writing of input files, submission of jobs on available resources, job monitoring, and collection and post processing of output data. High-level and minimal user interface to generate input files, compose workflows, and perform data analysis.
Running time: Total run time of the Nexus program is close to the overall wall time of the managed simulations. For the enclosed user example, the running time is approximately 30 seconds on a 16 core workstation. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Krogel, Jaron T.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
RP Krogel, JT (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
EM krogeljt@ornl.gov
OI Krogel, Jaron/0000-0002-1859-181X
FU Predictive Theory and Modeling for Materials and Chemical Science
program, Office of Basic Energy Sciences (BES), Department of Energy
(DOE); National Science Foundation (NSF) at the Department of Physics of
the University of Illinois at Urbana-Champaign [OCI-0904572]
FX The author would like to thank Jeongnim Kim, Kateryna Foyevtsova, Juan
Santana-Palacio, Chandrima Mitra, Ryan McAvoy, Hemant Dixit, and the
participants of the ALCF-hosted 2014 QMC Training Program for working
with Nexus during its development. The author is indebted to Paul Kent
for a thorough reading of the manuscript. This work was primarily
supported through Predictive Theory and Modeling for Materials and
Chemical Science program by the Office of Basic Energy Sciences (BES),
Department of Energy (DOE). Initial work was supported by the National
Science Foundation (NSF) under contract OCI-0904572 at the Department of
Physics of the University of Illinois at Urbana-Champaign.
NR 37
TC 2
Z9 2
U1 4
U2 22
PU ELSEVIER SCIENCE BV
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 2016
VL 198
BP 154
EP 168
DI 10.1016/j.cpc.2015.08.012
PG 15
WC Computer Science, Interdisciplinary Applications; Physics, Mathematical
SC Computer Science; Physics
GA CX0EX
UT WOS:000365370800015
ER
PT J
AU Reinisch, M
Perkins, CL
Steirer, KX
AF Reinisch, Michael
Perkins, Craig L.
Steirer, K. Xerxes
TI Quantitative Study on the Chemical Solution Deposition of Zinc
Oxysulfide
SO ECS JOURNAL OF SOLID STATE SCIENCE AND TECHNOLOGY
LA English
DT Article
ID ZNS THIN-FILMS; BATH DEPOSITION; BUFFER LAYERS; SOLAR-CELLS; GROWTH;
TEMPERATURE; THIOUREA; SULFIDE
AB Zinc Oxysulfide (ZnOS) has demonstrated potential in the last decade to replace CdS as a buffer layer material since it is a wide-band-gap semiconductor with performance advantages over CdS (E-g = 2.4 eV) in the near UV-range for solar energy conversion. However, questions remain on the growth mechanisms of chemical bath deposited ZnOS. In this study, a detailed model is employed to calculate solubility diagrams that describe simple conditions for complex speciation control using only ammonium hydroxide without additional base. For these conditions, ZnOS is deposited via aqueous solution deposition on a quartz crystal microbalance in a continuous flow cell. Data is used to analyze the growth rate dependence on temperature and also to elucidate the effects of dimethylsulfoxide (DMSO) when used as a co-solvent. Activation energies (E-A) of ZnOS are calculated for different flow rates and solution compositions. The measured EA relationships are affected by changes in the primary growth mechanism when DMSO is included. (C) The Author(s) 2015. Published by ECS. All rights reserved.
C1 [Reinisch, Michael] Univ Arkansas, Fayetteville, AR 72701 USA.
[Perkins, Craig L.; Steirer, K. Xerxes] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Reinisch, M (reprint author), Univ Arkansas, Fayetteville, AR 72701 USA.
EM Kenneth.Steirer@NREL.Gov
FU U.S. Department of Energy, Office of Science, Office of Workforce
Development for Teachers and Scientists (WDTS) under the Science
Undergraduate Laboratory Internship (SULI) program; Laboratory Directed
Research and Development (LDRD) Program at the National Renewable Energy
Laboratory; U.S. Department of Energy Office of Energy Efficiency and
Renewable Energy [DE-AC36-08-GO28308]
FX This work was supported in part by the U.S. Department of Energy, Office
of Science, Office of Workforce Development for Teachers and Scientists
(WDTS) under the Science Undergraduate Laboratory Internship (SULI)
program. KXS and CLP were supported by the Laboratory Directed Research
and Development (LDRD) Program at the National Renewable Energy
Laboratory. NREL is a national laboratory of the U.S. Department of
Energy Office of Energy Efficiency and Renewable Energy (Contract No.
DE-AC36-08-GO28308) operated by the Alliance for Sustainable Energy,
LLC. MR would also like to thank Rebekah Garris for outstanding support
in this project.
NR 23
TC 2
Z9 2
U1 10
U2 21
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 2162-8769
J9 ECS J SOLID STATE SC
JI ECS J. Solid State Sci. Technol.
PY 2016
VL 5
IS 2
BP P58
EP P66
DI 10.1149/2.0201602jss
PG 9
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA CX5NM
UT WOS:000365748800020
ER
PT J
AU Miles, PC
Andersson, O
AF Miles, Paul C.
Andersson, Oivind
TI A review of design considerations for light-duty diesel combustion
systems
SO INTERNATIONAL JOURNAL OF ENGINE RESEARCH
LA English
DT Article; Proceedings Paper
CT 12th International Congress of Engine Combustion Processes - Current
Problems and Modern Techniques (ENCOM)
CY 2015
CL Ludwigsburg, GERMANY
DE Engines; diesel; combustion; design
AB Practical aspects of light-duty diesel combustion system design are reviewed, with an emphasis on design considerations reported by manufacturers and engine design consultancies. The factors driving the selection of compression ratio, stroke-to-bore ratio, and various aspects of combustion chamber geometry are examined, along with the trends observed in these parameters in recently released engines. The interactions among geometric characteristics, swirl ratio, and the fuel injection nozzle parameters are also reviewed.
C1 [Miles, Paul C.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
[Andersson, Oivind] Lund Univ, Dept Energy Sci, Lund, Sweden.
RP Miles, PC (reprint author), Sandia Natl Labs, Combust Res Facil, POB 969,MS9053, Livermore, CA 94551 USA.
EM pcmiles@sandia.gov
NR 72
TC 3
Z9 3
U1 1
U2 6
PU SAGE PUBLICATIONS LTD
PI LONDON
PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND
SN 1468-0874
EI 2041-3149
J9 INT J ENGINE RES
JI Int. J. Engine Res.
PD JAN
PY 2016
VL 17
IS 1
SI SI
BP 6
EP 15
DI 10.1177/1468087415604754
PG 10
WC Thermodynamics; Engineering, Mechanical; Transportation Science &
Technology
SC Thermodynamics; Engineering; Transportation
GA CX5XU
UT WOS:000365776600002
ER
PT J
AU Bandrowski, A
Brush, M
Grethe, JS
Haendel, MA
Kennedy, DN
Hill, S
Hof, PR
Martone, ME
Pols, M
Tan, SC
Washington, N
Zudilova-Seinstra, E
Vasilevsky, N
AF Bandrowski, Anita
Brush, Matthew
Grethe, Jeffery S.
Haendel, Melissa A.
Kennedy, David N.
Hill, Sean
Hof, Patrick R.
Martone, Maryann E.
Pols, Maaike
Tan, Serena C.
Washington, Nicole
Zudilova-Seinstra, Elena
Vasilevsky, Nicole
TI The Resource Identification Initiative: A cultural shift in publishing
SO JOURNAL OF COMPARATIVE NEUROLOGY
LA English
DT Article
DE research resources; Resource Identification Initiative; identifiability
ID NEUROSCIENCE; ANTIBODIES; FRAMEWORK; P65
AB A central tenet in support of research reproducibility is the ability to uniquely identify research resources, i.e., reagents, tools, and materials that are used to perform experiments. However, current reporting practices for research resources are insufficient to identify the exact resources that are reported or to answer basic questions such as How did other studies use resource X? To address this issue, the Resource Identification Initiative was launched as a pilot project to improve the reporting standards for research resources in the Methods sections of articles and thereby improve identifiability and scientific reproducibility. The pilot engaged over 25 biomedical journal editors from most major publishers, as well as scientists and funding officials. Authors were asked to include Research Resource Identifiers (RRIDs) in their articles prior to publication for three resource types: antibodies, model organisms, and tools (i.e., software and databases). RRIDs are assigned by an authoritative database, for example, a model organism database for each type of resource. To make it easier for authors to obtain RRIDs, resources were aggregated from the appropriate databases and their RRIDs made available in a central Web portal (). RRIDs meet three key criteria: they are machine-readable, free to generate and access, and are consistent across publishers and journals. The pilot was launched in February of 2014 and over 300 articles have appeared that report RRIDs. The number of journals participating has expanded from the original 25 to more than 40, with RRIDs appearing in 62 different journals to date. Here we present an overview of the pilot project and its outcomes to date. We show that authors are able to identify resources and are supportive of the goals of the project. Identifiability of the resources post-pilot showed a dramatic improvement for all three resource types, suggesting that the project has had a significant impact on identifiability of research resources. J. Comp. Neurol. 524:8-22, 2016. (c) 2015 Wiley Periodicals, Inc.
C1 [Bandrowski, Anita; Grethe, Jeffery S.; Martone, Maryann E.] Univ Calif San Diego, Ctr Res Biol Syst, La Jolla, CA 92093 USA.
[Brush, Matthew; Haendel, Melissa A.; Vasilevsky, Nicole] OHSU Lib, Dept Med Informat & Clin Epidemiol, Portland, OR USA.
[Kennedy, David N.] Univ Massachusetts, Sch Med, Dept Psychiat, Worcester, MA 01605 USA.
[Hill, Sean] Karolinska Inst, Stockholm, Sweden.
[Hof, Patrick R.] Icahn Sch Med Mt Sinai, Fishberg Dept Neurosci, New York, NY 10029 USA.
[Hof, Patrick R.] Icahn Sch Med Mt Sinai, Friedman Brain Inst, New York, NY 10029 USA.
[Pols, Maaike] Sci Outreach Execut, London, England.
[Tan, Serena C.] John Wiley & Sons, Hoboken, NJ USA.
[Washington, Nicole] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Zudilova-Seinstra, Elena] Elsevier, Amsterdam, Netherlands.
RP Bandrowski, A (reprint author), Univ Calif San Diego, Ctr Res Biol Syst, 9500 Gillman Dr 0446, La Jolla, CA 92093 USA.
EM abandrowski@ncmir.ucsd.edu
OI Grethe, Jeffrey/0000-0001-5212-7052; Pols, Maaike/0000-0001-5489-4562;
Bandrowski, Anita/0000-0002-5497-0243; Vasilevsky,
Nicole/0000-0001-5208-3432
FU NIF [HHSN271200577531C/PHS]; HHS/United States; NIDDK [1U24DK097771-01];
Monarch [5R24OD011883]
FX Grant sponsor: NIF HHSN271200577531C/PHS HHS/United States; Grant
sponsor: NIDDK; Grant number: 1U24DK097771-01; Grant sponsor: Monarch;
Grant number: 5R24OD011883.
NR 15
TC 4
Z9 4
U1 0
U2 3
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0021-9967
EI 1096-9861
J9 J COMP NEUROL
JI J. Comp. Neurol.
PD JAN 1
PY 2016
VL 524
IS 1
BP 8
EP 22
DI 10.1002/cne.23913
PG 15
WC Neurosciences; Zoology
SC Neurosciences & Neurology; Zoology
GA CX5CQ
UT WOS:000365719500002
PM 26599696
ER
PT J
AU Stand, L
Zhuravleva, M
Chakoumakos, B
Johnson, J
Lindsey, A
Melcher, C
AF Stand, L.
Zhuravleva, M.
Chakoumakos, B.
Johnson, J.
Lindsey, A.
Melcher, CL.
TI Scintillation properties of Eu2+ -doped KBa2I5 and K2BaI4
SO JOURNAL OF LUMINESCENCE
LA English
DT Article
DE Scintillator; Metal halide; Gamma-ray detection
ID ENERGY RESOLUTION; DETECTORS; CRYSTALS
AB We report two new ternary metal halide scintillators, KBa2I5 and K2BaI4, activated with divalent europium. Single crystal X-ray diffraction measurements confirmed that KBa2I5 has a monoclinic structure (P2(1)/c) and that K2BaI4 has a rhombohedral structure (R3c). Differential scanning calorimetry showed singular melting and crystallization points, making these compounds viable candidates for melt growth. We grew 13 mm diameter single crystals of KBa2I5:Eu2+ and K2BaI4:Eu2+ in evacuated quartz ampoules via the vertical Bridgman technique. The optimal Eu2+ concentration was 4% for KBa2I5 and 7% for K2BaI4. The X-ray excited emissions at 444 nm for KBa2I5:Eu 4% and 448 nm for K2BaI4:Eu 7% arise from the 5d-4f radiative transition in Eu2+. KBa2I5:Eu 4% has a light yield of 90,000 photons/MeV, with an energy resolution of 2.4% and K2BaI4:Eu 7% has a light yield of 63,000 ph/MeV, with an energy resolution of 2.9% at 662 keV. Both crystals have an excellent proportional response to a wide range of gamma-ray energies. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Stand, L.; Zhuravleva, M.; Johnson, J.; Lindsey, A.; Melcher, CL.] Univ Tennessee, Scintillat Mat Res Ctr, Knoxville, TN USA.
[Stand, L.; Zhuravleva, M.; Johnson, J.; Lindsey, A.; Melcher, CL.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[Chakoumakos, B.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN USA.
RP Stand, L (reprint author), 1503 Middle Dr,414 Ferris Hall, Knoxville, TN 37996 USA.
EM lstand@utk.edu; cmelcher@utk.edu
RI Chakoumakos, Bryan/A-5601-2016; Melcher, Charles/E-9818-2012;
OI Chakoumakos, Bryan/0000-0002-7870-6543; Melcher,
Charles/0000-0002-4586-4764; Zhuravleva, Mariya/0000-0002-7809-5404
FU US Department of Homeland Security, Domestic Nuclear Detection Office
[2014-DN-077-ARI088-01, 2012-DN-077-ARI067-04]; Scientific User
Facilities Division, Office of Basic Energy Sciences, US Department of
Energy
FX This work was supported by the US Department of Homeland Security,
Domestic Nuclear Detection Office, under grant 2014-DN-077-ARI088-01 and
grant 2012-DN-077-ARI067-04. This support does not constitute an express
or implied endorsement on the part of the Government.; Research at Oak
Ridge National Laboratory was sponsored by the Scientific User
Facilities Division, Office of Basic Energy Sciences, US Department of
Energy.
NR 35
TC 1
Z9 1
U1 0
U2 13
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0022-2313
EI 1872-7883
J9 J LUMIN
JI J. Lumines.
PD JAN
PY 2016
VL 169
BP 301
EP 307
DI 10.1016/j.jlumin.2015.09.013
PN A
PG 7
WC Optics
SC Optics
GA CX3NC
UT WOS:000365604700046
ER
PT J
AU Alammar, T
Cybinska, J
Campbell, PS
Mudring, AV
AF Alammar, Tarek
Cybinska, Joanna
Campbell, Paul S.
Mudring, Anja-Verena
TI Sonochemical synthesis of highly luminescent Ln(2)O(3):Eu3+ (Y, La, Gd)
nanocrystals
SO JOURNAL OF LUMINESCENCE
LA English
DT Article; Proceedings Paper
CT 17th International Conference on Luminescence and Optical Spectroscopy
of Condensed Matter (ICL)
CY JUL 13-18, 2014
CL Univ Wroclaw, Fac Law, Adm & Econ, Wroclaw, POLAND
SP Polish Acad Sci, Inst Low Temp & Struct Res, Univ Wroclaw, Fac Chem, Wroclaw Univ Econ, Fundacja Uniwersytetu Wroclawskiego
HO Univ Wroclaw, Fac Law, Adm & Econ
DE Ceramics; Inorganic compounds; Nanostructures; Oxides; Photoluminescence
spectroscopy
ID ULTRASOUND-ASSISTED SYNTHESIS; IONIC LIQUIDS; PHOTOLUMINESCENCE
PROPERTIES; HYDROTHERMAL SYNTHESIS; Y2O3-EU PHOSPHORS; NANOPARTICLES;
EU3+; EMISSION; OXIDES; SIZE
AB Sonication of Ln(CH3COO)(3)center dot H2O, Eu(CH3COO)(3)center dot H2O and NaOH dissolved in the ionic liquid-butyl-3-methylimidazolium bis(trifluoromethane)sulfonylamide lead to Ln(OH)(3):Eu (Ln: Gd, La, Y) nanoparticles. Subsequent calcination at 800 degrees C for 3 h allowed to obtain La2O3:Eu nanopowders. Gd2O3 and Y2O3 were obtained in the C-type lanthanide sequioxide structure, whereas La2O3 crystallized in the A-type. Structure, morphology, and luminescent properties of the nano-oxides were investigated by powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), dispersive X-ray (EDX), and photoluminescence (PL). SEM studies revealed that the synthesized Gd2O3:Eu, La2O3:Eu, and Y2O3:Eu formed nano-spindle, -sheets, and -rods in shape, respectively. The nanoscale materials show very efficient red emission due to the intraconfigurational f-f transitions of Eu3+. The quantum yields for La2O3:Eu (5%) were determined to be 4.2% for Ln=Gd, 13.8% for Ln=Y and 5.2% for Ln=La. The asymmetric ratio I-02/I-01 of Eu3+ varies from 5.3 for Gd2O3, to 5.6 for Y2O3 to 6.5 for La2O3, which increased the color chromaticity. (C) 2015 Published by Elsevier B.V.
C1 [Alammar, Tarek; Mudring, Anja-Verena] Iowa State Univ, Mat Sci & Engn, Ames, IA 50011 USA.
[Alammar, Tarek; Mudring, Anja-Verena] Ames Lab, Crit Mat Inst, Ames, IA USA.
[Cybinska, Joanna] Univ Wroczlaw, Fac Chem, PL-50383 Wroczaw, Poland.
[Campbell, Paul S.] European Patent Off, NL-2288 EE Rijswijk, Netherlands.
RP Alammar, T (reprint author), Iowa State Univ, Mat Sci & Engn, Ames, IA 50011 USA.
EM mudring@iastate.edu
NR 52
TC 3
Z9 3
U1 2
U2 27
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0022-2313
EI 1872-7883
J9 J LUMIN
JI J. Lumines.
PD JAN
PY 2016
VL 169
BP 587
EP 593
DI 10.1016/j.jlumin.2015.05.004
PN B
PG 7
WC Optics
SC Optics
GA CX3NQ
UT WOS:000365606200038
ER
PT J
AU Cybinska, J
Wozniak, M
Mudring, AV
Zych, E
AF Cybinska, Joanna
Wozniak, Magdalena
Mudring, Anja-Verena
Zych, Eugeniusz
TI Controllable synthesis of nanoscale YPO4:Eu3+ in ionic liquid
SO JOURNAL OF LUMINESCENCE
LA English
DT Article; Proceedings Paper
CT 17th International Conference on Luminescence and Optical Spectroscopy
of Condensed Matter (ICL)
CY JUL 13-18, 2014
CL Univ Wroclaw, Fac Law, Adm & Econ, Wroclaw, POLAND
SP Polish Acad Sci, Inst Low Temp & Struct Res, Univ Wroclaw, Fac Chem, Wroclaw Univ Econ, Fundacja Uniwersytetu Wroclawskiego
HO Univ Wroclaw, Fac Law, Adm & Econ
DE Nanoparticles; Orthophosphates; Ionic liquids
ID PHOSPHORS; CRYSTAL; EU3+; LUMINESCENCE
AB The studies presented in this paper were devoted to optimizing the synthesis conditions of nanoscale YPO4 doped with optically active lanthanide ions (Eu3+). In frame of this work the structural, morphological and spectroscopic investigation of the fabricated powders were performed. The materials were synthesized in phosphate ionic liquid as precipitating and morphology controlling agent of the resulting powders. Influence of the synthesis conditions such as: pH of the solution and its quantitative composition, temperature and time of the synthesis, and the post-fabrication heat-treatment temperature - on the phosphors optical properties and morphology of the particles was investigated. The achieved results showed the significant role of the IL (ionic liquid) in the synthesis procedure, in consequence leading to obtained pure luminescent materials with very good optical properties as long decay time and high quantum efficiency. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Cybinska, Joanna; Zych, Eugeniusz] Univ Wroclaw, Fac Chem, PL-50383 Wroclaw, Poland.
[Cybinska, Joanna; Wozniak, Magdalena; Zych, Eugeniusz] Wroclaw Res Ctr EIT, PL-54066 Wroclaw, Poland.
[Mudring, Anja-Verena] Ames Lab, Crit Mat Inst, Ames, IA 50011 USA.
RP Cybinska, J (reprint author), Univ Wroclaw, Fac Chem, 14 F Joliot Curie St, PL-50383 Wroclaw, Poland.
EM joanna.cybinska@chem.uni.wroc.pl
OI Mudring, Anja/0000-0002-2800-1684
NR 17
TC 5
Z9 5
U1 7
U2 18
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0022-2313
EI 1872-7883
J9 J LUMIN
JI J. Lumines.
PD JAN
PY 2016
VL 169
BP 868
EP 873
DI 10.1016/j.jlumin.2015.07.008
PN B
PG 6
WC Optics
SC Optics
GA CX3NQ
UT WOS:000365606200088
ER
PT J
AU Smith, C
Pourgol-Mohammad, M
AF Smith, Curtis
Pourgol-Mohammad, Mohammad
TI Special issue of PSAM12 Conference selected papers Preface
SO RELIABILITY ENGINEERING & SYSTEM SAFETY
LA English
DT Editorial Material
C1 [Smith, Curtis] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
[Pourgol-Mohammad, Mohammad] Sahand Univ Technol, Tabriz, Iran.
RP Smith, C (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA.
NR 0
TC 0
Z9 0
U1 0
U2 0
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0951-8320
EI 1879-0836
J9 RELIAB ENG SYST SAFE
JI Reliab. Eng. Syst. Saf.
PD JAN
PY 2016
VL 145
BP 243
EP 244
DI 10.1016/j.ress.2015.09.015
PG 2
WC Engineering, Industrial; Operations Research & Management Science
SC Engineering; Operations Research & Management Science
GA CX0DO
UT WOS:000365367300024
ER
PT J
AU Maljovec, D
Liu, S
Wang, B
Mandelli, D
Bremer, PT
Pascucci, V
Smith, C
AF Maljovec, D.
Liu, S.
Wang, B.
Mandelli, D.
Bremer, P. -T.
Pascucci, V.
Smith, C.
TI Analyzing simulation-based PRA data through traditional and topological
clustering: A BWR station blackout case study
SO RELIABILITY ENGINEERING & SYSTEM SAFETY
LA English
DT Article; Proceedings Paper
CT 12th International Association for Probabilistic Safety
AssessmentandManagement(PSAM12)Conference
CY JUN 22-27, 2014
CL Honolulu, HI
DE Probabilistic risk assessment; Computational topology; Clustering;
High-dimensional data analysis
AB Dynamic probabilistic risk assessment (DPRA) methodologies couple system simulator codes (e.g., RELAP and MELCOR) with simulation controller codes (e.g., RAVEN and ADAPT). Whereas system simulator codes model system dynamics deterministically, simulation controller codes introduce both deterministic (e.g., system control logic and operating procedures) and stochastic (e.g., component failures and parameter uncertainties) elements into the simulation. Typically, a DPRA is performed by sampling values of a set of parameters and simulating the system behavior for that specific set of parameter values. For complex systems, a major challenge in using DPRA methodologies is to analyze the large number of scenarios generated, where clustering techniques are typically employed to better organize and interpret the data. In this paper, we focus on the analysis of two nuclear simulation datasets that are part of the risk-informed safety margin characterization (RISMC) boiling water reactor (BWR) station blackout (SBO) case study. We provide the domain experts a software tool that encodes traditional and topological clustering techniques within an interactive analysis and visualization environment, for understanding the structures of such high-dimensional nuclear simulation datasets. We demonstrate through our case study that both types of clustering techniques complement each other for enhanced structural understanding of the data. Published by Elsevier Ltd.
C1 [Maljovec, D.; Liu, S.; Wang, B.; Pascucci, V.] Univ Utah, Sci Comp & Imaging Inst, Salt Lake City, UT 84112 USA.
[Mandelli, D.; Smith, C.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
[Bremer, P. -T.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Maljovec, D (reprint author), Univ Utah, Sci Comp & Imaging Inst, 72 S Cent Campus Dr, Salt Lake City, UT 84112 USA.
EM maljovec@cs.utah.edu
OI Smith, Curtis/0000-0002-3247-9728
FU US DOE by LLNL [DE-AC52-07NA27344, LLNL-CONF-658933]; NSF [0904631,
DE-EE0004449, DE-NA0002375, DE-SC0007446, DE-SC0010498, EFT
ACI-0906379]; NSG [IIS-1045032]; DOE/NEUP [120341]; DOE/Codesign
[P01180734]
FX This work was performed in part under the auspices of the US DOE by LLNL
under Contract DE-AC52-07NA27344, LLNL-CONF-658933. This work is also
supported in part by NSF 0904631, DE-EE0004449, DE-NA0002375,
DE-SC0007446, DE-SC0010498, NSG IIS-1045032, NSF EFT ACI-0906379,
DOE/NEUP 120341, and DOE/Codesign P01180734.
NR 21
TC 1
Z9 1
U1 1
U2 4
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0951-8320
EI 1879-0836
J9 RELIAB ENG SYST SAFE
JI Reliab. Eng. Syst. Saf.
PD JAN
PY 2016
VL 145
BP 262
EP 276
DI 10.1016/j.ress.2015.07.001
PG 15
WC Engineering, Industrial; Operations Research & Management Science
SC Engineering; Operations Research & Management Science
GA CX0DO
UT WOS:000365367300027
ER
PT J
AU Prajapati, S
Tao, JH
Ruan, QC
De Yoreo, JJ
Moradian-Oldak, J
AF Prajapati, Saumya
Tao, Jinhui
Ruan, Qichao
De Yoreo, James J.
Moradian-Oldak, Janet
TI Matrix metalloproteinase-20 mediates dental enamel biomineralization by
preventing protein occlusion inside apatite crystals
SO BIOMATERIALS
LA English
DT Article
DE Matrix metalloproteinase-20; Protein occlusion; Enamel
biomineralization; Amelogenin
ID ATOMIC-FORCE MICROSCOPY; CALCIUM-PHOSPHATE FORMATION; IN-VITRO;
OCTACALCIUM PHOSPHATE; INORGANIC CRYSTALS; ORGANIC MATRIX; AMELOGENIN;
ORGANIZATION; MMP-20; GROWTH
AB Reconstruction of enamel-like materials is a central topic of research in dentistry and material sciences. The importance of precise proteolytic mechanisms in amelogenesis to form a hard tissue with more than 95% mineral content has already been reported. A mutation in the Matrix Metalloproteinase-20 (MMP-20) gene results in hypomineralized enamel that is thin, disorganized and breaks from the underlying dentin. We hypothesized that the absence of MMP-20 during amelogenesis results in the occlusion of amelogenin in the enamel hydroxyapatite crystals. We used spectroscopy and electron microscopy techniques to qualitatively and quantitatively analyze occluded proteins within the isolated enamel crystals from MMP-20 null and Wild type (WT) mice. Our results showed that the isolated enamel crystals of MMP-20 null mice had more organic macromolecules occluded inside them than enamel crystals from the WT. The crystal lattice arrangements of MMP-20 null enamel crystals analyzed by High Resolution Transmission Electron Microscopy (HRTEM) were found to be significantly different from those of the WT. Raman studies indicated that the crystallinity of the MMP-20 null enamel crystals was lower than that of the WT. In conclusion, we present a novel functional mechanism of MMP-20, specifically prevention of unwanted organic material entrapped in the forming enamel crystals, which occurs as the result of precise amelogenin cleavage. MMP-20 action guides the growth morphology of the forming hydroxyapatite crystals and enhances their crystallinity. Elucidating such molecular mechanisms can be applied in the design of novel biomaterials for future clinical applications in dental restoration or repair. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Prajapati, Saumya; Ruan, Qichao; Moradian-Oldak, Janet] Univ So Calif, Herman Ostrow Sch Dent, Div Biomed Sci, Ctr Craniofacial Mol Biol, Los Angeles, CA 90033 USA.
[Tao, Jinhui; De Yoreo, James J.] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
RP Moradian-Oldak, J (reprint author), Univ So Calif, Herman Ostrow Sch Dent, Div Biomed Sci, Ctr Craniofacial Mol Biol, Los Angeles, CA 90033 USA.
EM joldak@usc.edu
FU NIH-NIDCR [DE-13414, DE-020099]; U.S. Department of energy [DE-AC05-
76RL01830]
FX This research was supported by NIH-NIDCR R01 grants DE-13414 and
DE-020099. SEM and TEM images were acquired at the Center for Electron
Microscopy and Microanalysis at the University of Southern California.
AFM and Raman measurements were performed at Pacific Northwest National
Laboratory, which is operated by Battelle for the U.S. Department of
energy under Contract DE-AC05- 76RL01830. We would also like to thank
Lianna Damargi for her help with the mouse dissection and sample
preparations.
NR 57
TC 1
Z9 1
U1 5
U2 40
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0142-9612
EI 1878-5905
J9 BIOMATERIALS
JI Biomaterials
PD JAN
PY 2016
VL 75
BP 260
EP 270
DI 10.1016/j.biomaterials.2015.10.031
PG 11
WC Engineering, Biomedical; Materials Science, Biomaterials
SC Engineering; Materials Science
GA CX0FV
UT WOS:000365373200023
PM 26513418
ER
PT J
AU Baylon, RAL
Sun, JM
Wang, Y
AF Baylon, Rebecca A. L.
Sun, Junming
Wang, Yong
TI Conversion of ethanol to 1,3-butadiene over Na doped ZnxZryOz mixed
metal oxides
SO CATALYSIS TODAY
LA English
DT Article; Proceedings Paper
CT 1st International Symposium on Catalytic Science and Technology in
Sustainable Energy and Environment (EECAT)
CY OCT 08-10, 2014
CL Tianjin, PEOPLES R CHINA
DE Ethanol; 1,3 Butadiene; Zinc oxide; Zirconia; Mixed oxide; Na doped
ID CATALYTIC CONVERSION; MAGNESIUM-OXIDE; BUTADIENE; CHEMICALS; BIOMASS;
BUTA-1,3-DIENE; ISOBUTENE; MECHANISM; SILICA
AB Despite numerous studies on different oxide catalysts for the ethanol to 1,3-butadiene reaction, few have identified active sites (i.e., type of acidity) correlated to the catalytic performances. In this work, the type of acidity needed for ethanol to 1,3-butadiene conversion has been studied over Zn/Zr mixed oxide catalysts. Specifically, synthesis method, Zn/Zr ratio, and Na doping have been used to control the surface acid-base properties, as confirmed by characterizations such as NH3-TPD and IR-Py techniques. The 2000 ppm Na doped Zn1Zr10Oz-H with balanced base and weak Bronsted acid sites was found to give not only high selectivity to 1,3-butadiene (47%) at near complete ethanol conversion (97%), but also exhibited a much higher 1,3-butadiene productivity than other mixed oxides studied. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Baylon, Rebecca A. L.; Sun, Junming; Wang, Yong] Washington State Univ, Gene & Linda Voiland Sch Chem Engn & Bioengn, Pullman, WA 99164 USA.
[Wang, Yong] Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA.
RP Sun, JM (reprint author), Washington State Univ, Gene & Linda Voiland Sch Chem Engn & Bioengn, Pullman, WA 99164 USA.
EM junming.sun@wsn.edu; yong.wang@pnnl.gov
RI Sun, Junming/B-3019-2011
OI Sun, Junming/0000-0002-0071-9635
FU US Department of Energy (DOE), Office of Basic Energy Sciences, Division
of Chemical Sciences, Geosciences, and Biosciences
FX We acknowledge the US Department of Energy (DOE), Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences,
for their financial support of this work.
NR 35
TC 11
Z9 11
U1 10
U2 45
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0920-5861
EI 1873-4308
J9 CATAL TODAY
JI Catal. Today
PD JAN 1
PY 2016
VL 259
BP 446
EP 452
DI 10.1016/j.cattod.2015.04.010
PN 2
PG 7
WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical
SC Chemistry; Engineering
GA CW2ZZ
UT WOS:000364863000027
ER
PT J
AU English, SA
Briggs, TM
Nelson, SM
AF English, Shawn A.
Briggs, Timothy M.
Nelson, Stacy M.
TI Quantitative validation of carbon-fiber laminate low velocity impact
simulations
SO COMPOSITE STRUCTURES
LA English
DT Article
DE Carbon fiber; Delamination; Impact behavior; Finite element analysis;
Statistical methods
ID RESOLUTION COMPUTED-TOMOGRAPHY; CONTINUUM DAMAGE MODEL;
COMPOSITE-MATERIALS; CONSTITUTIVE MODEL; REINFORCED COMPOSITES; MATRIX
COMPOSITE; PREDICTION; FRACTURE
AB Simulations of low velocity impact with a flat cylindrical indenter upon a carbon fiber fabric reinforced polymer laminate are rigorously validated. Comparison of the impact energy absorption between the model and experiment is used as the validation metric. Additionally, non-destructive evaluation, including ultrasonic scans and three-dimensional computed tomography, provide qualitative validation of the models. The simulations include delamination, matrix cracks and fiber breaks. An orthotropic damage and failure constitutive model, capable of predicting progressive damage and failure, is developed in conjunction and described. An ensemble of simulations incorporating model parameter uncertainties is used to predict a response distribution which is then compared to experimental output using appropriate statistical methods. Finally, the model form errors are exposed and corrected for use in an additional blind validation analysis. The result is a quantifiable confidence in material characterization and model physics when simulating low velocity impact in structures of interest. (C) 2015 Published by Elsevier Ltd.
C1 [English, Shawn A.; Briggs, Timothy M.; Nelson, Stacy M.] Sandia Natl Labs, Livermore, CA 94550 USA.
RP English, SA (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA.
EM saengli@sandia.gov
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; Sandia National Laboratories
FX The authors are appreciative to those that contributed to this work and
would like to specifically recognize the efforts of Tim Gilbertson and
Alan Moore for composite laminate consolidation, Karin Krafcik for
performing the ultrasonic imaging, David Moore, Kyle Thompson, Carl
Jacques and Burke Kernen for the computed tomography imaging, as well as
Patricia Hough for aid with statistics methodology. All funding was
provided by Sandia National Laboratories which 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 45
TC 1
Z9 1
U1 3
U2 17
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0263-8223
EI 1879-1085
J9 COMPOS STRUCT
JI Compos. Struct.
PD JAN
PY 2016
VL 135
BP 250
EP 261
DI 10.1016/j.compstruct.2015.09.033
PG 12
WC Materials Science, Composites
SC Materials Science
GA CW5RN
UT WOS:000365054400024
ER
PT J
AU Frecker, T
Bailey, D
Arzeta-Ferrer, X
McBride, J
Rosenthal, SJ
AF Frecker, Talitha
Bailey, Danielle
Arzeta-Ferrer, Xochitl
McBride, James
Rosenthal, Sandra J.
TI Review-Quantum Dots and Their Application in Lighting, Displays, and
Biology
SO ECS JOURNAL OF SOLID STATE SCIENCE AND TECHNOLOGY
LA English
DT Review
ID CADMIUM SELENIDE NANOCRYSTALS; ULTRASMALL CDSE NANOCRYSTALS; RESONANCE
ENERGY-TRANSFER; SINGLE-PARTICLE TRACKING; WHITE-LIGHT; DOPAMINE
TRANSPORTER; EMITTING DEVICES; MEMBRANE DYNAMICS; HIGH-EFFICIENCY;
IN-VIVO
AB Quantum dots have attracted considerable interest in the fields of solid state lighting, displays, and fluorescent imaging. Their tunable optical properties by changing the size and solution processability lead to commercial applications. In this review, we focus on the advancement of white light emitting nanocrystals, their usage as the emissive layer in LEDs and display backlights, and examine the increased efficiency and longevity of quantum dots based colored LEDs. In addition, we also explore recent discoveries on quantum dots as biological labels, dynamic trackers, and applications in drug delivery. (C) 2015 The Electrochemical Society. All rights reserved.
C1 [Frecker, Talitha; Bailey, Danielle; Arzeta-Ferrer, Xochitl; McBride, James; Rosenthal, Sandra J.] Vanderbilt Univ, Dept Chem, Nashville, TN 37235 USA.
[Frecker, Talitha; McBride, James; Rosenthal, Sandra J.] Vanderbilt Univ, Vanderbilt Inst Nanoscale Sci & Engn, Nashville, TN 37235 USA.
[Bailey, Danielle] Vanderbilt Univ, Dept Interdisciplinary Mat Sci, Nashville, TN 37235 USA.
[Bailey, Danielle; Rosenthal, Sandra J.] Vanderbilt Univ, Dept Pharmacol, Nashville, TN 37235 USA.
[Rosenthal, Sandra J.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA.
[Rosenthal, Sandra J.] Vanderbilt Univ, Dept Chem & Biomol Engn, Nashville, TN 37235 USA.
[Rosenthal, Sandra J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
RP Frecker, T (reprint author), Vanderbilt Univ, Dept Chem, 221 Kirkland Hall, Nashville, TN 37235 USA.
EM james.r.mcbride@vanderbilt.edu; sandra.j.rosenthal@vanderbilt.edu
RI McBride, James/D-2934-2012
OI McBride, James/0000-0003-0161-7283
NR 68
TC 8
Z9 10
U1 32
U2 157
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 2162-8769
J9 ECS J SOLID STATE SC
JI ECS J. Solid State Sci. Technol.
PY 2016
VL 5
IS 1
BP R3019
EP R3031
DI 10.1149/2.0031601jss
PG 13
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA CW1QC
UT WOS:000364765400003
ER
PT J
AU Ronevich, JA
Somerday, BP
San Marchi, CW
AF Ronevich, Joseph A.
Somerday, Brian P.
San Marchi, Chris W.
TI Effects of microstructure banding on hydrogen assisted fatigue crack
growth in X65 pipeline steels
SO INTERNATIONAL JOURNAL OF FATIGUE
LA English
DT Article
DE Fatigue crack growth; Carbon steel; Pearlite
ID AISI 4130 STEEL; GASEOUS-HYDROGEN; EMBRITTLEMENT; BEHAVIOR
AB Banded ferrite-pearlite X65 pipeline steel was tested in high pressure hydrogen gas to evaluate the effects of oriented pearlite on hydrogen assisted fatigue crack growth. Test specimens were oriented in the steel pipe such that cracks propagated either parallel or perpendicular to the banded pearlite. The ferrite-pearlite microstructure exhibited orientation dependent behavior in which fatigue crack growth rates were significantly lower for cracks oriented perpendicular to the banded pearlite compared to cracks oriented parallel to the bands. The reduction of hydrogen assisted fatigue crack growth across the banded pearlite is attributed to a combination of crack-tip branching and impeded hydrogen diffusion across the banded pearlite. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Ronevich, Joseph A.; Somerday, Brian P.; San Marchi, Chris W.] Sandia Natl Labs, Livermore, CA 94550 USA.
RP Ronevich, JA (reprint author), Sandia Natl Labs, 7011 East Ave, Livermore, CA 94550 USA.
EM jaronev@sandia.gov
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; US Department of Energy Fuel Cell Technologies
Office through the Hydrogen Delivery sub-program
FX The authors acknowledge the Hydrogen Effects on Materials Laboratory
team at Sandia National Laboratories, particularly Ken Lee and Jeff
Campbell. Metallographic samples were prepared and imaged by Andy Gardea
and Ryan Nishimoto. Sandia National Laboratories is a multi-program
laboratory managed and operated by Sandia Corporation, for the U.S.
Department of Energy's National Nuclear Security Administration under
contract DE-AC04-94AL85000. This work was supported by the US Department
of Energy Fuel Cell Technologies Office through the Hydrogen Delivery
sub-program.
NR 28
TC 2
Z9 2
U1 3
U2 17
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0142-1123
EI 1879-3452
J9 INT J FATIGUE
JI Int. J. Fatigue
PD JAN
PY 2016
VL 82
BP 497
EP 504
DI 10.1016/j.ijfatigue.2015.09.004
PN 3
PG 8
WC Engineering, Mechanical; Materials Science, Multidisciplinary
SC Engineering; Materials Science
GA CX0DC
UT WOS:000365366100013
ER
PT J
AU Castelluccio, GM
McDowell, DL
AF Castelluccio, Gustavo M.
McDowell, David L.
TI Microstructure-sensitive small fatigue crack growth assessment: Effect
of strain ratio, multiaxial strain state, and geometric discontinuities
SO INTERNATIONAL JOURNAL OF FATIGUE
LA English
DT Article
DE Fatigue crack initiation; Microstructural small cracks; Stress and
strain ratios; Geometric discontinuity; Multiaxial loading
ID POLYCRYSTALS; BEHAVIOR; PROPAGATION; INITIATION; STEEL; TRANSITION;
LOADINGS; STRESS
AB Fatigue crack initiation in the high cycle fatigue regime is strongly influenced by microstructural features. Research efforts have usually focused on predicting fatigue resistance against crack incubation without considering the early fatigue crack growth after encountering the first grain boundary. However, a significant fraction of the variability of the total fatigue life can be attributed to growth of small cracks as they encounter the first few grain boundaries, rather than crack formation within the first grain. This paper builds on the framework previously developed by the authors to assess microstructure-sensitive small fatigue crack formation and early growth under complex loading conditions. The scheme employs finite element simulations that explicitly render grains and crystallographic directions along with simulation of microstructurally small fatigue crack growth from grain to grain. The methodology employs a crystal plasticity algorithm in ABAQUS that was previously calibrated to study fatigue crack initiation in RR1000 Ni-base superalloy. This work present simulations with non-zero applied mean strains and geometric discontinuities that were not previously considered for calibration. Results exhibit trends similar to those found in experiments for multiple metallic materials, conveying a consistent physical description of fatigue damage phenomena. Published by Elsevier Ltd.
C1 [Castelluccio, Gustavo M.; McDowell, David L.] Georgia Inst Technol, Woodruff Sch Mech Engn, Atlanta, GA 30332 USA.
[McDowell, David L.] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA.
RP Castelluccio, GM (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA.
EM castellg@gatech.edu
FU Integrated Systems Solutions, Inc.
FX G.M. Castelluccio and D.L. McDowell are grateful for the support
provided by Integrated Systems Solutions, Inc. (Technical Monitor: Dr.
Nam Phan, NAVAIR).
NR 31
TC 2
Z9 2
U1 3
U2 14
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0142-1123
EI 1879-3452
J9 INT J FATIGUE
JI Int. J. Fatigue
PD JAN
PY 2016
VL 82
BP 521
EP 529
DI 10.1016/j.ijfatigue.2015.09.007
PN 3
PG 9
WC Engineering, Mechanical; Materials Science, Multidisciplinary
SC Engineering; Materials Science
GA CX0DC
UT WOS:000365366100016
ER
PT J
AU Johns, PM
Sulekar, S
Yeo, S
Baciak, JE
Bliss, M
Nino, JC
AF Johns, Paul M.
Sulekar, Soumitra
Yeo, Shinyoung
Baciak, J. E.
Bliss, Mary
Nino, Juan C.
TI Superheating suppresses structural disorder in layered BiI3
semiconductors grown by the Bridgman method
SO JOURNAL OF CRYSTAL GROWTH
LA English
DT Article
DE Defects; Bridgman growth; Halides; Bismuth iodide; Semiconducting
materials
ID CADMIUM ZINC TELLURIDE; RADIATION DETECTORS; SINGLE-CRYSTALS; LEAD
IODIDE; DEFECTS; PBI2; MELT
AB The susceptibility of layered structures to stacking faults is a problem in some of the more attractive semiconductor materials for ambient-temperature radiation detectors. In this work, Bridgman-grown BiI3 layered single crystals are investigated to understand and eliminate structural disorder, which reduces radiation detector performance. The use of superheating gradients has been shown by others to improve crystal quality in non-layered semiconductor crystals (Rudolph et al., 1996) [26]; thus the technique was explored to improve the growth of BiI3. When investigating the homogeneity of non-superheated crystals, highly geometric void defects were found to populate the bulk of the crystals. Applying a superheating gradient to the melt prior to crystal growth improved structural quality and decreased defect density from the order of 4600 voids per cm(3) to 300 voids per cm(3). Corresponding moderate improvements to electronic properties also resulted from the superheat gradient method of crystal growth. Comparative measurements through infrared microscopy, etch-pit density, X-ray rocking curves, and sheet resistivity readings show that superheat gradients in BiI3 growth led to higher quality crystals. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Johns, Paul M.; Sulekar, Soumitra; Yeo, Shinyoung; Baciak, J. E.; Nino, Juan C.] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA.
[Johns, Paul M.; Bliss, Mary] Pacific NW Natl Lab, Radiat Detect & Nucl Sci Grp, Richland, WA 99352 USA.
RP Nino, JC (reprint author), Univ Florida, Dept Mat Sci & Engn, 100 Rhines Hall, Gainesville, FL 32611 USA.
EM jnino@mse.ufl.edu
RI Bliss, Mary/G-2240-2012; Nino, Juan/A-6496-2008;
OI Bliss, Mary/0000-0002-7565-4813; Nino, Juan/0000-0001-8256-0535; Johns,
Paul/0000-0003-1492-9956
FU Integrated University Program, U.S. Department of Energy (DOE)
[DE-NE0000730]; DOE Nuclear Engineering University Program fellowship;
Office of Biological and Environmental Research
FX Funding for this work was provided through the Integrated University
Program, U.S. Department of Energy (DOE) Award number DE-NE0000730.
Author PMJ would like to acknowledge the DOE Nuclear Engineering
University Program fellowship. All authors wish to acknowledge Dr.
Christine Schmidt and Dr. Rebecca Wachs for assistance in obtaining
complimentary IR micrographs, and Dr. Jiangeng Xue and Nathan Shewmon
for assistance in obtaining sheet resistivity. The authors would
additionally like to acknowledge Mark Bowden, who assisted in a portion
of this research that was performed at the William R. Wiley
Environmental Molecular Science Laboratory, a DOE Office of Science User
Facility sponsored by the Office of Biological and Environmental
Research and located at Pacific Northwest National Laboratory.
NR 34
TC 1
Z9 1
U1 3
U2 19
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0022-0248
EI 1873-5002
J9 J CRYST GROWTH
JI J. Cryst. Growth
PD JAN 1
PY 2016
VL 433
BP 153
EP 159
DI 10.1016/j.jcrysgro.2015.10.019
PG 7
WC Crystallography; Materials Science, Multidisciplinary; Physics, Applied
SC Crystallography; Materials Science; Physics
GA CW2KC
UT WOS:000364819900025
ER
PT J
AU Kisielowski, C
AF Kisielowski, Christian
TI On the pressing need to address beam-sample interactions in atomic
resolution electron microscopy
SO JOURNAL OF MATERIALS SCIENCE
LA English
DT Editorial Material
ID IN-SITU; ABERRATION; TEM
C1 [Kisielowski, Christian] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
RP Kisielowski, C (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM CFKisielowski@lbl.gov
NR 26
TC 2
Z9 2
U1 2
U2 38
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 2016
VL 51
IS 2
BP 635
EP 639
DI 10.1007/s10853-015-9545-4
PG 5
WC Materials Science, Multidisciplinary
SC Materials Science
GA CW8QI
UT WOS:000365263900001
ER
PT J
AU Coughlin, DR
Casalena, L
Yang, F
Noebe, RD
Mills, MJ
AF Coughlin, D. R.
Casalena, L.
Yang, F.
Noebe, R. D.
Mills, M. J.
TI Microstructure-property relationships in a high-strength 51Ni-29Ti-20Hf
shape memory alloy
SO JOURNAL OF MATERIALS SCIENCE
LA English
DT Article
ID NICKEL-ALUMINUM SYSTEM; MARTENSITIC-TRANSFORMATION;
MECHANICAL-PROPERTIES; PRECIPITATE PHASE; BEHAVIOR; STEM
AB NiTiHf alloys exhibit remarkable shape memory and pseudoelastic properties that are of fundamental interest to a growing number of industries. In this study, differential scanning calorimetry and isothermal compression tests have revealed that the 51Ni-29Ti-20Hf alloy has useful shape memory properties that include a wide range of transformation temperatures as well as highly stable pseudoelastic behavior. These properties are governed by short-term aging conditions, which may be tailored to control transformation temperatures while giving rise to exceptionally high austenite yield strengths which aid transformation stability. The yield strength of the austenite phase can reach 2.1 GPa by aging for 3 h at 500 degrees C, while aging for 3 h at 700 degrees C produced an alloy with an austenite finish temperature (A(f)) of 146 degrees C. High-resolution scanning transmission electron microscopy has revealed a new precipitate phase, H'-phase, under the homogenized and extruded conditions and under the 500 degrees C-3-h-aged condition, but only the previously identified H-phase precipitate was observed after aging at temperatures of 600 and 700 degrees C for 3 h. Finally, dislocation analysis indicated that plastic deformation of the austenite phase occurred by < 100 > type slip, similar to that observed in binary NiTi.
C1 [Coughlin, D. R.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
[Casalena, L.; Yang, F.; Mills, M. J.] Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH 43210 USA.
[Noebe, R. D.] NASA, Mat & Struct Div, Glenn Res Ctr, Cleveland, OH 44109 USA.
RP Coughlin, DR (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, MS G770, Los Alamos, NM 87545 USA.
EM coughlin@lanl.gov
FU US Department of Energy, Office of Basic Energy Sciences [DE-SC0001258];
NASA FAP; TAC Transformational Tools & Technologies Project;
Aeronautical Sciences Project
FX This work was supported by the US Department of Energy, Office of Basic
Energy Sciences under Grant #DE-SC0001258. R.D.N. acknowledges funding
from the NASA FAP, Aeronautical Sciences Project, and the TAC
Transformational Tools & Technologies Project, Technical Discipline
Lead, Dale Hopkins.
NR 46
TC 2
Z9 2
U1 10
U2 27
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 2016
VL 51
IS 2
BP 766
EP 778
DI 10.1007/s10853-015-9400-7
PG 13
WC Materials Science, Multidisciplinary
SC Materials Science
GA CW8QI
UT WOS:000365263900012
ER
PT J
AU Li, YC
Paranthaman, MP
Gill, LW
Hagaman, EW
Wang, YY
Sokolov, AP
Dai, S
Ma, C
Chi, MF
Veith, GM
Manthiram, A
Goodenough, JB
AF Li, Yunchao
Paranthaman, Mariappan Parans
Gill, Lance W.
Hagaman, Edward W.
Wang, Yangyang
Sokolov, Alexi P.
Dai, Sheng
Ma, Cheng
Chi, Miaofang
Veith, Gabriel M.
Manthiram, Arumugam
Goodenough, John B.
TI Conduction below 100 degrees C in nominal Li6ZnNb4O14
SO JOURNAL OF MATERIALS SCIENCE
LA English
DT Article
ID LITHIUM-ION BATTERIES; SOLID-ELECTROLYTE; LI2O-ZNO-NB2O5 SYSTEM; LI;
LI7LA3ZR2O12; STABILITY
AB The increasing demand for a safe rechargeable battery with a high energy density per cell is driving a search for a novel solid electrolyte with a high Li+ or Na+ conductivity that is chemically stable in a working Li-ion or Na-ion battery. Li6ZnNb4O14 (LZNO) has been reported to exhibit a sigma(Li) > 10(-2) S cm(-1) at 250 degrees C, but to disproportionate into multiple phases on cooling from 850 degrees C to room-temperature. An investigation of the room-temperature Li-ion conductivity in a porous pellet of a multiphase product of a nominal LZNO composition is shown to have bulk sigma(Li) approximate to 3.3 x 10(-5) S cm(-1) at room-temperature that increases to 1.4 x 10(-4) S cm(-1) by 50 degrees C. Li-7 MAS NMR spectra were fitted to two Lorentzian lines, one of which showed a dramatic increase with increasing temperature. A test for water stability indicates that Li+ may move to the particle and grain surfaces to react with adsorbed water as occurs in the garnet Li+ conductors.
C1 [Li, Yunchao; Paranthaman, Mariappan Parans; Gill, Lance W.; Hagaman, Edward W.; Wang, Yangyang; Sokolov, Alexi P.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Li, Yunchao; Paranthaman, Mariappan Parans] Univ Tennessee, Bredesen Ctr Interdisciplinary Res & Grad Educ, Knoxville, TN 37996 USA.
[Ma, Cheng; Chi, Miaofang] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Veith, Gabriel M.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
[Manthiram, Arumugam; Goodenough, John B.] Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA.
RP Paranthaman, MP (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
EM paranthamanm@ornl.gov
RI Wang, Yangyang/A-5925-2010; Chi, Miaofang/Q-2489-2015; Ma,
Cheng/C-9120-2014; Dai, Sheng/K-8411-2015;
OI Wang, Yangyang/0000-0001-7042-9804; Chi, Miaofang/0000-0003-0764-1567;
Dai, Sheng/0000-0002-8046-3931; Li, Yunchao/0000-0001-5460-5855
FU U.S. Department of Energy, Office Science, Office of Basic Energy
Sciences, Materials Sciences and Engineering Division; U.S. Department
of Energy, Office of Basic Energy Sciences, Chemical Sciences,
Geosciences and Biosciences Division; ORNL's Center for Nanophase
Materials Sciences (CNMS); Materials Sciences and Engineering Division,
Office of Basic Energy Sciences, Office of Science, U.S. Department of
Energy [DE-SC0005397]; Scientific User Facilities Division, Office of
Basic Energy Sciences, U.S. Department of Energy
FX The research was sponsored by the U.S. Department of Energy, Office
Science, Office of Basic Energy Sciences, Materials Sciences and
Engineering Division. The NMR research (L.W.G. and E.W.H.) was supported
by the U.S. Department of Energy, Office of Basic Energy Sciences,
Chemical Sciences, Geosciences and Biosciences Division. Scanning
electron microscopy research was supported through a user project
supported by ORNL's Center for Nanophase Materials Sciences (CNMS),
which is sponsored by the Scientific User Facilities Division, Office of
Basic Energy Sciences, U.S. Department of Energy. Dr. John B. Goodenough
was supported by the Materials Sciences and Engineering Division, Office
of Basic Energy Sciences, Office of Science, U.S. Department of Energy
grant number (DE-SC0005397).
NR 31
TC 0
Z9 0
U1 6
U2 50
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 2016
VL 51
IS 2
BP 854
EP 860
DI 10.1007/s10853-015-9408-z
PG 7
WC Materials Science, Multidisciplinary
SC Materials Science
GA CW8QI
UT WOS:000365263900020
ER
PT J
AU Shao, MY
da Jornada, FH
Yang, C
Deslippe, J
Louie, SG
AF Shao, Meiyue
da Jornada, Felipe H.
Yang, Chao
Deslippe, Jack
Louie, Steven G.
TI Structure preserving parallel algorithms for solving the Bethe-Salpeter
eigenvalue problem
SO LINEAR ALGEBRA AND ITS APPLICATIONS
LA English
DT Article
DE Bethe-Salpeter equation; Tamm-Dancoff approximation; Hamiltonian
eigenvalue problems; Structure preserving algorithms; Parallel
algorithms
ID MINIMIZATION PRINCIPLES; IMPLEMENTATION; APPROXIMATION; DECOMPOSITION;
SOFTWARE
AB The Bethe-Salpeter eigenvalue problem is a dense structured eigenvalue problem arising from discretized Bethe-Salpeter equation in the context of computing exciton energies and states. A computational challenge is that at least half of the eigenvalues and the associated eigenvectors are desired in practice. We establish the equivalence between Bethe-Salpeter eigenvalue problems and real Hamiltonian eigenvalue problems. Based on theoretical analysis, structure preserving algorithms for a class of Bethe-Salpeter eigenvalue problems are proposed. We also show that for this class of problems all eigenvalues obtained from the Tamm-Dancoff approximation are overestimated. In order to solve large scale problems of practical interest, we discuss parallel implementations of our algorithms targeting distributed memory systems. Several numerical examples are presented to demonstrate the efficiency and accuracy of our algorithms. (C) 2015 Elsevier Inc. All rights reserved.
C1 [Shao, Meiyue; Yang, Chao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
[da Jornada, Felipe H.; Louie, Steven G.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[da Jornada, Felipe H.; Louie, Steven G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Deslippe, Jack] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, NERSC, Berkeley, CA 94720 USA.
RP Yang, C (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
EM cyang@lbl.gov
OI Shao, Meiyue/0000-0002-4914-7666
FU Scientific Discovery through Advanced Computing (SciDAC) Program on
Excited State Phenomena in Energy Materials [DE-AC02-05CH11231]; Office
of Science of the U.S. Department of Energy [DE-AC02-05CH11231]
FX The authors thank Zhaojun Bai, Peter Benner, Fabien Bruneval, Heike
Fassbender, Daniel Kressner, and Hongguo Xu for fruitful discussions.
The authors are also grateful to anonymous referees for careful reading
and providing valuable comments. This material is based upon work
supported by the Scientific Discovery through Advanced Computing
(SciDAC) Program on Excited State Phenomena in Energy Materials funded
by the U.S. Department of Energy, Office of Science, under SciDAC
program, the Offices of Advanced Scientific Computing Research and Basic
Energy Sciences contract number DE-AC02-05CH11231 at the Lawrence
Berkeley National Laboratory. 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 35
TC 6
Z9 6
U1 1
U2 8
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 0024-3795
EI 1873-1856
J9 LINEAR ALGEBRA APPL
JI Linear Alg. Appl.
PD JAN 1
PY 2016
VL 488
BP 148
EP 167
DI 10.1016/j.laa.2015.09.036
PG 20
WC Mathematics, Applied; Mathematics
SC Mathematics
GA CX0HA
UT WOS:000365376300010
ER
PT J
AU Derenzo, SE
Bourret-Courshesne, E
Bizarri, G
Canning, A
AF Derenzo, Stephen E.
Bourret-Courshesne, Edith
Bizarri, Gregory
Canning, Andrew
TI Bright and ultra-fast scintillation from a semiconductor?
SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS
SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT
LA English
DT Article
DE Semiconductor; Scintillator; Donor; Acceptor; Ultra-fast; Cryogenic
ID FAST INORGANIC SCINTILLATOR; AUGER RECOMBINATION; ISOELECTRONIC TRAPS;
ZNO-GA; PBI2; LUMINESCENCE; PHOTOLUMINESCENCE; DONOR; PHOSPHORS;
CRYSTALS
AB Semiconductor scintillators are worth studying because they include both the highest luminosities and shortest decay times of all known scintillators. Moreover, many semiconductors have the heaviest stable elements (TI, Hg, Pb, and Bi) as a major constituent and a high ion pair yield that is proportional to the energy deposited. We review the scintillation properties of semiconductors activated by native defects, isoelectronic impurities, donors and acceptors with special emphasis on those that have exceptionally high luminosities (e.g. ZnO:Zn; ZnS:Ag, Cl; CdS:Ag, Cl) and those that have ultra-fast decay times (e.g. ZnO:Ga; CdS:In). We discuss underlying mechanisms that are consistent with these properties and the possibilities for achieving (1) 200,000 photons/MeV and 1% fwhm energy resolution for 662 keV gamma rays, (2) ultra-fast (ns) decay times and coincident resolving times of 30 ps fwhm for time-of-flight positron emission tomography, and (3) both a high luminosity and an ultra-fast decay time from the same scintillator at cryogenic temperatures. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Derenzo, Stephen E.; Bourret-Courshesne, Edith; Bizarri, Gregory; Canning, Andrew] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Derenzo, SE (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM sederenzo@lbl.gov
FU U.S. Department of Homeland Security, Domestic Nuclear Detection Office;
U.S. Public Health Service [R01EB012524]; Lawrence Berkeley National
Laboratory [DE-AC02-05CH11231]
FX We thank K. Shah of for providing purified TlBr crystals. This work was
supported in part by the U.S. Department of Homeland Security, Domestic
Nuclear Detection Office, in part by U.S. Public Health Service grant
R01EB012524, and was carried out at the Lawrence Berkeley National
Laboratory under Contract no. DE-AC02-05CH11231
NR 53
TC 0
Z9 0
U1 7
U2 31
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 2016
VL 805
SI SI
BP 36
EP 40
DI 10.1016/j.nima.2015.07.033
PG 5
WC Instruments & Instrumentation; Nuclear Science & Technology; Physics,
Nuclear; Physics, Particles & Fields
SC Instruments & Instrumentation; Nuclear Science & Technology; Physics
GA CW2XD
UT WOS:000364855500004
PM 26855462
ER
PT J
AU Bolotnikov, AE
Camarda, GS
Cui, Y
De Geronimo, G
Eger, J
Emerick, A
Fried, J
Hossain, A
Roy, U
Salwen, C
Soldner, S
Vernon, E
Yang, G
James, RB
AF Bolotnikov, A. E.
Camarda, G. S.
Cui, Y.
De Geronimo, G.
Eger, J.
Emerick, A.
Fried, J.
Hossain, A.
Roy, U.
Salwen, C.
Soldner, S.
Vernon, E.
Yang, G.
James, R. B.
TI Use of high-granularity CdZnTe pixelated detectors to correct response
non-uniformities caused by defects in crystals
SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS
SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT
LA English
DT Article
DE CdZnTe; High-granularity detectors; 3D pixelated detectors; Crystal
defects; Charge sharing; Charge-loss correction
ID POSITION-SENSITIVE DETECTORS; GAMMA-RAY SPECTROMETERS; READOUT
ELECTRONICS; CZT DETECTORS; SYSTEM
AB Following our successful demonstration of the position-sensitive virtual Frisch-grid detectors, we investigated the feasibility of using high-granularity position sensing to correct response non-uniformities caused by the crystal defects in CdZnTe (CZT) pixelated detectors. The development of high-granularity detectors able to correct response non-uniformities on a scale comparable to the size of electron clouds opens the opportunity of using unselected off-the-shelf CZT material, whilst still assuring high spectral resolution for the majority of the detectors fabricated from an ingot. Here, we present the results from testing 3D position-sensitive 15 x 15 x 10 mm(3) pixelated detectors, fabricated with conventional pixel patterns with progressively smaller pixel sizes: 1.4, 0.8, and 0.5 mm. We employed the readout system based on the H3D front-end multi-channel ASIC developed by BNL's Instrumentation Division in collaboration with the University of Michigan. We use the sharing of electron clouds among several adjacent pixels to measure locations of interaction points with sub-pixel resolution. By using the detectors with small-pixel sizes and a high probability of the charge-sharing events, we were able to improve their spectral resolutions in comparison to the baseline levels, measured for the 1.4-mm pixel size detectors with small fractions of charge-sharing events. These results demonstrate that further enhancement of the performance of CZT pixelated detectors and reduction of costs are possible by using high spatial-resolution position information of interaction points to correct the small-scale response non-uniformities caused by crystal defects present in most devices. Published by Elsevier B.V.
C1 [Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; De Geronimo, G.; Fried, J.; Hossain, A.; Roy, U.; Salwen, C.; Vernon, E.; Yang, G.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11793 USA.
[Eger, J.; Emerick, A.; Soldner, S.] eV Prod Inc, Saxonburg, PA 16056 USA.
RP Bolotnikov, AE (reprint author), Brookhaven Natl Lab, Upton, NY 11793 USA.
EM bolotnik@bnl.gov
FU U.S. Department of Energy, Office of Defense Nuclear Nonproliferation
Research & Development (DNN RD); Brookhaven Science Associates, LLC
[DE-ACO2-98CH1-886]
FX This work was supported by U.S. Department of Energy, Office of Defense
Nuclear Nonproliferation Research & Development (DNN R&D). The
manuscript has been authored by Brookhaven Science Associates, LLC under
Contract no. DE-ACO2-98CH1-886 with the U. S. Department of Energy.
NR 18
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Z9 1
U1 2
U2 10
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 2016
VL 805
SI SI
BP 41
EP 54
DI 10.1016/j.nima.2015.08.051
PG 14
WC Instruments & Instrumentation; Nuclear Science & Technology; Physics,
Nuclear; Physics, Particles & Fields
SC Instruments & Instrumentation; Nuclear Science & Technology; Physics
GA CW2XD
UT WOS:000364855500005
ER
PT J
AU O'Donnell, JM
AF O'Donnell, J. M.
TI A new method to reduce the statistical and systematic uncertainty of
chance coincidence backgrounds measured with waveform digitizers
SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS
SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT
LA English
DT Article
DE Chance coincidence background; Waveform digitizer; Statistical
uncertainty; Systematic uncertainty
AB A new method for measuring chance-coincidence backgrounds during the collection of coincidence data is presented. The method relies on acquiring data with near-zero dead time, which is now realistic due to the increasing deployment of flash electronic-digitizer (waveform digitizer) techniques. An experiment designed to use this new method is capable of acquiring more coincidence data, and a much reduced statistical fluctuation of the measured background. A statistical analysis is presented, and used to derive a figure of merit for the new method. Factors of four improvement over other analyzes are realistic. The technique is illustrated with preliminary data taken as part of a program to make new measurements of the prompt fission neutron spectra at Los Alamos Neutron Science Center. It is expected that the these measurements will occur in a regime where the maximum figure of merit will be exploited. (C) 2015 Elsevier B.V. All rights reserved.
C1 [O'Donnell, J. M.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA.
RP O'Donnell, JM (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA.
EM odonnell@lanl.gov
FU US Department of Energy by Los Alamos National Security, LLC
[DE-AC52-06NA25396]
FX The author thanks R.C. Haight for informative discussions, and all
personnel working on the Chi-Nu project [5] for allowing access to
preliminary data. This work benefited from the use of the LANSCE
accelerator facility and was performed under the auspices of the US
Department of Energy by Los Alamos National Security, LLC under contract
DE-AC52-06NA25396.
NR 9
TC 0
Z9 0
U1 1
U2 3
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 2016
VL 805
SI SI
BP 87
EP 94
DI 10.1016/j.nima.2015.07.044
PG 8
WC Instruments & Instrumentation; Nuclear Science & Technology; Physics,
Nuclear; Physics, Particles & Fields
SC Instruments & Instrumentation; Nuclear Science & Technology; Physics
GA CW2XD
UT WOS:000364855500009
ER
PT J
AU Ziock, KP
Boehnen, CB
Ernst, JM
Fabris, L
Hayward, JP
Karnowski, TP
Paquit, VC
Patlolla, DR
Trombino, DG
AF Ziock, K. P.
Boehnen, C. B.
Ernst, J. M.
Fabris, L.
Hayward, J. P.
Karnowski, T. P.
Paquit, V. C.
Patlolla, D. R.
Trombino, D. G.
TI Motion correction for passive radiation imaging of small vessels in
ship-to-ship inspections
SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS
SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT
LA English
DT Article
DE Position-sensitive detector; Coded-aperture; Gamma-ray imager; Nuclear
imaging; Machine vision; Vessel tracking
ID APERTURE; ARRAYS; IMAGER; RAY
AB Passive radiation detection remains one of the most acceptable means of ascertaining the presence of illicit nuclear materials. In maritime applications it is most effective against small to moderately sized vessels, where attenuation in the target vessel is of less concern. Unfortunately, imaging methods that can remove source confusion, localize a source, and avoid other systematic detection issues cannot be easily applied in ship-to-ship inspections because relative motion of the vessels blurs the results over many pixels, significantly reducing system sensitivity. This is particularly true for the smaller watercraft, where passive inspections are most valuable. We have developed a combined gamma-ray, stereo visible-light imaging system that addresses this problem. Data from the stereo imager are used to track the relative location and orientation of the target vessel in the field of view of a coded-aperture gamma-ray imager. Using this information, short-exposure gamma-ray images are projected onto the target vessel using simple tomographic back-projection techniques, revealing the location of any sources within the target. The complex autonomous tracking and image reconstruction system runs in real time on a 48-core workstation that deploys with the system. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Ziock, K. P.; Boehnen, C. B.; Ernst, J. M.; Fabris, L.; Hayward, J. P.; Karnowski, T. P.; Paquit, V. C.; Patlolla, D. R.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Hayward, J. P.] Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA.
[Trombino, D. G.] Lawrence Livermore Natl Lab, Livermore, CA USA.
RP Ziock, KP (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM ziockk@ornl.gov
RI Fabris, Lorenzo/E-4653-2013
OI Fabris, Lorenzo/0000-0001-5605-5615
FU US Department of Energy by Oak Ridge National Laboratory
[DE-AC05-00OR22725]; US Department of Energy by Lawrence Livermore
National Laboratory [DE-AC52-07NA27344]; U.S. Department of Energy,
National Nuclear Security Administration, Office of Defense Nuclear
Nonproliferation Research and Development (DNN RD)
FX This work was performed under the auspices of the US Department of
Energy by Oak Ridge National Laboratory under Contract DE-AC05-00OR22725
and by Lawrence Livermore National Laboratory under Contract
DE-AC52-07NA27344. The project was funded by the U.S. Department of
Energy, National Nuclear Security Administration, Office of Defense
Nuclear Nonproliferation Research and Development (DNN R&D).
NR 17
TC 0
Z9 0
U1 0
U2 6
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 2016
VL 805
SI SI
BP 116
EP 126
DI 10.1016/j.nima.2015.08.040
PG 11
WC Instruments & Instrumentation; Nuclear Science & Technology; Physics,
Nuclear; Physics, Particles & Fields
SC Instruments & Instrumentation; Nuclear Science & Technology; Physics
GA CW2XD
UT WOS:000364855500012
ER
PT J
AU Vetter, K
AF Vetter, Kai
TI Multi-sensor radiation detection, imaging, and fusion
SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS
SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT
LA English
DT Article
DE Glenn Knoll; Gamma-ray detection; Gamma-ray imaging; Multi-mode data
fusion; Nuclear Street View; Radiological resilience
ID COMPTON CAMERA
AB Glenn Knoll was one of the leaders in the field of radiation detection and measurements and shaped this field through his outstanding scientific and technical contributions, as a teacher, his personality, and his textbook. His Radiation Detection and Measurement book guided me in my studies and is now the textbook in my classes in the Department of Nuclear Engineering at UC Berkeley. In the spirit of Glenn, I will provide an overview of our activities at the Berkeley Applied Nuclear Physics program reflecting some of the breadth of radiation detection technologies and their applications ranging from fundamental studies in physics to biomedical imaging and to nuclear security. I will conclude with a discussion of our Berkeley Radwatch and Resilient Communities activities as a result of the events at the Dai-ichi nuclear power plant in Fukushima, Japan more than 4 years ago. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Vetter, Kai] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA.
[Vetter, Kai] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA.
RP Vetter, K (reprint author), Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA.
FU US Department of Homeland Security, Domestic Nuclear Detection Office
[2011-DN-077-ARI049-03, ECCS-1140069]; Department of Energy National
Nuclear Security Administration [DE-NA0000979]
FX The work presented here reflects contribution of many scientists and
students, all members of the Berkeley Applied Nuclear Physics program.
Specifically, I want to thank Mark Amman, Mark Bandstra, Paul Barton,
Dan Chivers, Don Gunter, Andy Haefner, Paul Luke, and Lucian Mihailescu
from LBNL and Tim Aucott, Ross Barnowski, Joey Curtis, Ryan Paylovsky,
and Brian Plimley from UC Berkeley. This work has been supported by the
US Department of Homeland Security, Domestic Nuclear Detection Office,
under competitively awarded contract 2011-DN-077-ARI049-03 as well as
under Grant award number ECCS-1140069. In addition, it is based upon
work supported by the Department of Energy National Nuclear Security
Administration under Award number(s) DE-NA0000979.
NR 25
TC 3
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U1 1
U2 24
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 2016
VL 805
SI SI
BP 127
EP 134
DI 10.1016/j.nima.2015.08.078
PG 8
WC Instruments & Instrumentation; Nuclear Science & Technology; Physics,
Nuclear; Physics, Particles & Fields
SC Instruments & Instrumentation; Nuclear Science & Technology; Physics
GA CW2XD
UT WOS:000364855500013
ER
PT J
AU Park, J
Jones, B
Koo, B
Chen, X
Tucker, M
Yu, JH
Pschorn, T
Venditti, R
Park, S
AF Park, Junyeong
Jones, Brandon
Koo, Bonwook
Chen, Xiaowen
Tucker, Melvin
Yu, Ju-Hyun
Pschorn, Thomas
Venditti, Richard
Park, Sunkyu
TI Use of mechanical refining to improve the production of low-cost sugars
from lignocellulosic biomass
SO BIORESOURCE TECHNOLOGY
LA English
DT Review
DE Biomass conversion; Mechanical refining; Enzymatic hydrolysis
ID STRUCTURAL FIBER PROPERTIES; PRETREATED CORN STOVER;
ENZYMATIC-HYDROLYSIS; AUTOHYDROLYSIS PRETREATMENT; FERMENTABLE SUGARS;
ETHANOL-PRODUCTION; WHEAT-STRAW; PINUS-RADIATA; INTENSITY; SEVERITY
AB Mechanical refining is widely used in the pulp and paper industry to enhance the end-use properties of products by creating external fibrillation and internal delamination. This technology can be directly applied to biochemical conversion processes. By implementing mechanical refining technology, biomass recalcitrance to enzyme hydrolysis can be overcome and carbohydrate conversion can be enhanced with commercially attractive levels of enzymes. In addition, chemical and thermal pretreatment severity can be reduced to achieve the same level of carbohydrate conversion, which reduces pretreatment cost and results in lower concentrations of inhibitors. Refining is versatile and a commercially proven technology that can be operated at process flows of similar to 1500 dry tons per day of biomass. This paper reviews the utilization of mechanical refining in the pulp and paper industry and summarizes the recent development in applications for biochemical conversion, which potentially make an overall biorefinery process more economically viable. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Park, Junyeong; Jones, Brandon; Venditti, Richard; Park, Sunkyu] N Carolina State Univ, Dept Forest Biomat, Raleigh, NC 27695 USA.
[Koo, Bonwook] SK Innovat, Daejeon, South Korea.
[Chen, Xiaowen; Tucker, Melvin] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80127 USA.
[Yu, Ju-Hyun] Korea Res Inst Chem Technol, Daejeon, South Korea.
[Pschorn, Thomas] Andritz, Montreal, PQ H8T 3H4, Canada.
[Park, Sunkyu] Seoul Natl Univ, Dept Forest Sci, Seoul, South Korea.
RP Park, S (reprint author), N Carolina State Univ, Dept Forest Biomat, Raleigh, NC 27695 USA.
EM sunkyu_park@ncsu.edu
FU US DOE National Renewable Energy Laboratory [XEV-5-42083-01]; Korea
Evaluation Institute of Industrial Technology (KEIT) Research Grant
[TS141-21R]
FX This study was jointly supported by US DOE National Renewable Energy
Laboratory (Subcontract No. XEV-5-42083-01) and Korea Evaluation
Institute of Industrial Technology (KEIT) Research Grant of 2014
(TS141-21R).
NR 49
TC 3
Z9 3
U1 8
U2 46
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0960-8524
EI 1873-2976
J9 BIORESOURCE TECHNOL
JI Bioresour. Technol.
PD JAN
PY 2016
VL 199
BP 59
EP 67
DI 10.1016/j.biortech.2015.08.059
PG 9
WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy &
Fuels
SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels
GA CW5OZ
UT WOS:000365047200008
PM 26338276
ER
PT J
AU Min, T
Gao, YM
Chen, L
Kang, QJ
Tao, WQ
AF Min, Ting
Gao, Yimin
Chen, Li
Kang, Qinjun
Tao, Wen-Quan
TI Mesoscale investigation of reaction-diffusion and structure evolution
during Fe-Al inhibition layer formation in hot-dip galvanizing
SO INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
LA English
DT Article
DE Hot-dip galvanizing; Inhibition layer; Crystal growth; Reactive
transport; Lattice Boltzmann method
ID LATTICE BOLTZMANN METHOD; MEMBRANE FUEL-CELL; ZN PHASE-FORMATION; 450
DEGREES-C; PORE-SCALE; INTERFACIAL LAYER; NUMERICAL-SIMULATION; INGOT
ADDITION; FINITE-VOLUME; ZINC BATH
AB A new mesoscale model based on the lattice Boltzmann method is developed to simulate the coupled reaction-diffusion processes during the formation of inhibition layer (IL) comprised Fe-Al intermetallic compound in the galvanizing. This model considers Fe-(l) and Al-(l) transport in liquid zinc as well as in the solid IL, dissolution of iron from the steel surface and the precipitation reaction of Fe-Al compound. Evolutions of IL morphology and concentration fields of Fe-(l) and Al-(l) are predicted and discussed. Three distinct stages during the IL growth are identified, includingreaction-controlled, Al-diffusion controlled and Fediffusion controlled stages. The evolution of the IL thickness with time agrees with the experiments. Two existing mechanisms in the literature are explored. In the initially complete cover mechanism, effects of the solid diffusivity on the IL growth are investigated. Heterogeneous diffusion in the IL including slow lattice diffusion and relative quick grain boundary diffusion is considered, based on which the interesting IL double-layer structures widely observed in experiments are well captured for the first time. In the initially partial cover mechanism, effects of iron dissolution rate are explored and it is found that the double-layer structures also can be formed even homogeneous diffusion is considered; however, considerable sites of the steel surface are only covered by 10 nm thick IL A new mechanism for the IL growth is proposed, which recognizes both the heterogeneous nucleation and heterogeneous diffusion. Published by Elsevier Ltd.
C1 [Min, Ting; Gao, Yimin] Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Shaanxi, Peoples R China.
[Chen, Li; Tao, Wen-Quan] Xi An Jiao Tong Univ, Sch Energy & Power Engn, Key Lab Thermofluid Sci & Engn MOE, Xian 710049, Shaanxi, Peoples R China.
[Chen, Li; Kang, Qinjun] Los Alamos Natl Lab, Computat Earth Sci Earth & Environm Sci Div, Los Alamos, NM 87545 USA.
RP Chen, L (reprint author), Xi An Jiao Tong Univ, Sch Energy & Power Engn, Key Lab Thermofluid Sci & Engn MOE, Xian 710049, Shaanxi, Peoples R China.
EM lichenmt@lanl.gov
RI Chen, Li/P-4886-2014; Kang, Qinjun/A-2585-2010
OI Chen, Li/0000-0001-7956-3532; Kang, Qinjun/0000-0002-4754-2240
FU LANL's LDRD Program, Institutional Computing Program, National Nature
Science Foundation of China [51406145, 51136004]
FX The authors acknowledge the support of LANL's LDRD Program,
Institutional Computing Program, National Nature Science Foundation of
China (Nos. 51406145 and 51136004).
NR 44
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Z9 2
U1 5
U2 28
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 2016
VL 92
BP 370
EP 380
DI 10.1016/j.ijheatmasstransfer.2015.08.083
PG 11
WC Thermodynamics; Engineering, Mechanical; Mechanics
SC Thermodynamics; Engineering; Mechanics
GA CW3ID
UT WOS:000364884500035
ER
PT J
AU Cui, TG
Law, KJH
Marzouk, YM
AF Cui, Tiangang
Law, Kody J. H.
Marzouk, Youssef M.
TI Dimension-independent likelihood-informed MCMC
SO JOURNAL OF COMPUTATIONAL PHYSICS
LA English
DT Article
DE Markov chain Monte Carlo; Likelihood-informed subspace;
Infinite-dimensional inverse problems; Langevin SDE; Conditioned
diffusion
ID ADAPTIVE METROPOLIS ALGORITHM; STOCHASTIC NEWTON MCMC; MONTE-CARLO
METHODS; INVERSE PROBLEMS; LANGEVIN ALGORITHM; DIFFUSION LIMITS;
ERGODICITY; APPROXIMATIONS
AB Many Bayesian inference problems require exploring the posterior distribution of high-dimensional parameters that represent the discretization of an underlying function. This work introduces a family of Markov chain Monte Carlo (MCMC) samplers that can adapt to the particular structure of a posterior distribution over functions. Two distinct lines of research intersect in the methods developed here. First, we introduce a general class of operator-weighted proposal distributions that are well defined on function space, such that the performance of the resulting MCMC samplers is independent of the discretization of the function. Second, by exploiting local Hessian information and any associated low-dimensional structure in the change from prior to posterior distributions, we develop an inhomogeneous discretization scheme for the Langevin stochastic differential equation that yields operator-weighted proposals adapted to the non-Gaussian structure of the posterior. The resulting dimension-independentand likelihood-informed (DILI) MCMC samplers may be useful for a large class of high-dimensional problems where the target probability measure has a density with respect to a Gaussian reference measure. Two nonlinear inverse problems are used to demonstrate the efficiency of these DILI samplers: an elliptic PDE coefficient inverse problem and path reconstruction in a conditioned diffusion. (C) 2015 Elsevier Inc. All rights reserved.
C1 [Cui, Tiangang; Marzouk, Youssef M.] MIT, Cambridge, MA 02139 USA.
[Law, Kody J. H.] Oak Ridge Natl Lab, Oak Ridge, TN 37934 USA.
RP Marzouk, YM (reprint author), MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA.
EM tcui@mit.edu; kody.law@kaust.edu.sa; ymarz@mit.edu
OI Law, Kody/0000-0003-3133-2537
FU U.S. Department of Energy, Office of Advanced Scientific Computing
Research (ASCR), DiaMonD Multifaceted Mathematics Integrated Capability
Center [DE-SC0009297]; King Abdullah University of Science and
Technology (KAUST); SRI UQ Center; Oak Ridge National Laboratory
Directed Research and Development Strategic Hire grant
FX T. Cui and Y.M. Marzouk acknowledge financial support from the U.S.
Department of Energy, Office of Advanced Scientific Computing Research
(ASCR), under grant number DE-SC0009297, as part of the DiaMonD
Multifaceted Mathematics Integrated Capability Center. K.J.H. Law was
supported by the King Abdullah University of Science and Technology
(KAUST), SRI UQ Center, and an Oak Ridge National Laboratory Directed
Research and Development Strategic Hire grant.
NR 50
TC 8
Z9 8
U1 4
U2 11
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 2016
VL 304
BP 109
EP 137
DI 10.1016/j.jcp.2015.10.008
PG 29
WC Computer Science, Interdisciplinary Applications; Physics, Mathematical
SC Computer Science; Physics
GA CW5NH
UT WOS:000365041900005
ER
PT J
AU Zheng, D
Zhang, XR
Wang, JK
Qu, DY
Yang, XQ
Qu, DY
AF Zheng, Dong
Zhang, Xuran
Wang, Jiankun
Qu, Deyu
Yang, Xiaoqing
Qu, Deyang
TI Reduction mechanism of sulfur in lithium-sulfur battery: From elemental
sulfur to polysulfide
SO JOURNAL OF POWER SOURCES
LA English
DT Article
DE Reduction of sulfur; Lithium-sulfur battery; Polysulfide; HPLC
ID DISCHARGE REACTION-MECHANISM; X-RAY-DIFFRACTION; ELECTROCHEMICAL
REDUCTION; EQUILIBRIUM DISTRIBUTION; AQUEOUS-SOLUTIONS;
DIMETHYLFORMAMIDE; SPECTROSCOPY; TEMPERATURE; CELLS; IONS
AB The polysulfide ions formed during the first reduction wave of sulfur in Li-S battery were determined through both in-situ and ex-situ derivatization of polysulfides. By comparing the cyclic voltammetric results with and without the derivatization reagent (methyl triflate) as well as the in-situ and ex-situ derivatization results under potentiostatic condition, in-situ derivatization was found to be more appropriate than its ex-situ counterpart, since subsequent fast chemical reactions between the polysulfides and sulfur may occur during the timeframe of ex-situ procedures. It was found that the major polysulfide ions formed at the first reduction wave of elemental sulfur were the S-4(2-) and S-5(2-) species, while the widely accepted reduction products of S-8(2-) and S-6(2-) for the first reduction wave were in low abundance. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Qu, Deyang] Univ Wisconsin, Dept Mech Engn, Coll Engn & Appl Sci, Milwaukee, WI 53211 USA.
[Zheng, Dong; Qu, Deyang] Univ Wisconsin, Dept Mech Engn, Coll Engn & Appl Sci, Milwaukee, WI 53211 USA.
[Zhang, Xuran; Qu, Deyu] Wuhan Univ Technol, Sch Chem Chem Engn & Life Sci, Dept Chem, Wuhan 430070, Hubei, Peoples R China.
[Wang, Jiankun] Xidian Univ, Sch Adv Mat & Nanotechnol, Dept Appl Chem, Xian 710126, Shaanxi, Peoples R China.
[Yang, Xiaoqing] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
RP Qu, DY (reprint author), Univ Wisconsin, Dept Mech Engn, Coll Engn & Appl Sci, Milwaukee, WI 53211 USA.
EM deyuquwuhan@163.com; qud@uwm.edu
RI Zheng, Dong/J-9975-2015
OI Zheng, Dong/0000-0002-5824-3270
FU Vehicle Technology Program [DE-SC0012704]; Fundamental Research Funds
for Central Universities [WUT: 2015-IB-001]
FX The authors from UWM and BNL are indebted to the Assistant Secretary for
Energy Efficiency and Renewable Energy, Office of Vehicle Technologies,
under the program of Vehicle Technology Program, under Contract Number
DE-SC0012704. The authors from WUT are grateful for the supports from
Fundamental Research Funds for the Central Universities (WUT:
2015-IB-001).
NR 34
TC 9
Z9 9
U1 25
U2 164
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 2016
VL 301
BP 312
EP 316
DI 10.1016/j.jpowsour.2015.10.002
PG 5
WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials
Science, Multidisciplinary
SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science
GA CW5TW
UT WOS:000365060500040
ER
PT J
AU Howard, C
Frazer, D
Lupinacci, A
Parker, S
Valiev, RZ
Shin, C
Choi, BW
Hosemann, P
AF Howard, C.
Frazer, D.
Lupinacci, A.
Parker, S.
Valiev, R. Z.
Shin, C.
Choi, B. William
Hosemann, P.
TI Investigation of specimen size effects by in-situ microcompression of
equal channel angular pressed copper
SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES
MICROSTRUCTURE AND PROCESSING
LA English
DT Article
DE Microcompression tests; Scaling effects; Mechanical properties; Grain
size
ID AUSTENITIC STAINLESS-STEEL; FINE-GRAINED COPPER; MECHANICAL-PROPERTIES;
TENSILE PROPERTIES; DEFORMATION; THICKNESS; STRENGTH; BEHAVIOR; METALS;
ALLOY
AB Micropillar compression testing was implemented on Equal Channel Angular Pressed copper samples ranging from 200 nm to 10 mu m in side length in order to measure the mechanical properties yield strength, first load drop during plastic deformation at which there was a subsequent stress decrease with increasing strain, work hardening, and strain hardening exponent. Several micropillars containing multiple grains were investigated in a 200 nm grain sample. The effective pillar diameter to grain size ratios, Did, were measured to be between 1.9 and 27.2. Specimens having D/d ratios between 0.2 and 5 were investigated in a second sample that was annealed at 200 degrees C for 2 h with an average grain size of 1.3 mu m. No yield strength or elastic modulus size effects were observed in specimens in the 200 nm grain size sample. However work hardening increases with a decrease in critical ratios and first stress drops occur at much lower stresses for specimens with D/d ratios less than 5. For comparison, bulk tensile testing of both samples was performed, and the yield strength values of all micropillar compression tests for the 200 nm grained sample are in good agreement with the yield strength values of the tensile tests. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Howard, C.; Frazer, D.; Parker, S.; Hosemann, P.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA.
[Lupinacci, A.] Univ Calif Berkeley, Dept Mat Sci, Berkeley, CA 94720 USA.
[Valiev, R. Z.] Ufa State Aviat Tech Univ, Inst Phys Adv Mat, Ufa 450000, Russia.
[Valiev, R. Z.] St Petersburg State Univ, Lab Mech Bulk Nanomat, St Petersburg 198504, Russia.
[Shin, C.] Myongji Univ, Dept Mat Sci & Engn, Yongin 449728, South Korea.
[Choi, B. William] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Howard, C (reprint author), 3117 Etcheverry Hall, Berkeley, CA 94720 USA.
EM cam7745@berkeley.edu
OI Frazer, David/0000-0001-5139-858X; Hosemann, Peter/0000-0003-2281-2213
FU Korean Atomic Energy Institute (KAERI); Russian Ministry of Education
and Science [14.B25.31.0017RZV]
FX The Korean Atomic Energy Institute (KAERI) is acknowledged for financial
support and providing samples. The Russian Ministry of Education and
Science is gratefully acknowledged for funding the works of sample
production through contract No. 14.B25.31.0017RZV. We also want to thank
Lawrence Livermore National Laboratory (LLNL) for access and support in
using the Instron 5848 Micro Tester. In addition, the authors would like
to thank the Biomolecular Nanotechnology Center (BNC) at the University
of California, Berkeley (UCB) for use of the FEI Quanta 3D FEG.
NR 43
TC 3
Z9 3
U1 4
U2 16
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0921-5093
EI 1873-4936
J9 MAT SCI ENG A-STRUCT
JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process.
PD JAN 1
PY 2016
VL 649
BP 104
EP 113
DI 10.1016/j.msea.2015.09.110
PG 10
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Metallurgy & Metallurgical Engineering
SC Science & Technology - Other Topics; Materials Science; Metallurgy &
Metallurgical Engineering
GA CW2BP
UT WOS:000364796400013
ER
PT J
AU Wang, H
Jeong, Y
Clausen, B
Liu, Y
McCabe, RJ
Barlat, F
Tome, CN
AF Wang, H.
Jeong, Y.
Clausen, B.
Liu, Y.
McCabe, R. J.
Barlat, F.
Tome, C. N.
TI Effect of martensitic phase transformation on the behavior of 304
austenitic stainless steel under tension
SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES
MICROSTRUCTURE AND PROCESSING
LA English
DT Article
DE Transformation induced plasticity (TRIP) steel; Crystal plasticity;
In-situ neutron diffraction; EBSD
ID POLYCRYSTAL PLASTICITY MODELS; ASSISTED MULTIPHASE STEELS; SITU
NEUTRON-DIFFRACTION; MAGNESIUM ALLOY AZ31B; DEFORMATION; STRESS; TRIP;
CRYSTALS; SHEAR
AB The present work integrates in-situ neutron diffraction, electron backscatter diffraction and crystal plasticity modeling to investigate the effect of martensitic phase transformation on the behavior of 304 stainless steel under uniaxial tension. The macroscopic stress strain response, evolution of the martensitic phase fraction, texture evolution of each individual phase, and internal elastic strains were measured at room temperature and at 75 degrees C. Because no martensitic transformation was observed at 75 degrees C, the experimental results at 75 degrees C were used as a reference to quantify the effect of formed martensitic phase on the behavior of 304 stainless steel at room temperature. A crystallographic phase transformation model was implemented into an elastic-viscoplastic self-consistent framework. The phase transformation model captured the macroscopic stress strain response, plus the texture and volume fraction evolution of austenite and martensite. The model also predicts the internal elastic strain evolution with loading in the austenite, but not in the martensite. The results of this work highlight the mechanisms that control phase transformation and the sensitivity of modeling results to them, and point out to critical elements that still need to be incorporated into crystallographic phase transformation models to accurately describe the internal strain evolution during phase transformation. Published by Elsevier B.V.
C1 [Wang, H.; Clausen, B.; Liu, Y.; McCabe, R. J.; Tome, C. N.] Los Alamos Natl Lab, Mat Sci & Technol, Los Alamos, NM 87701 USA.
[Jeong, Y.] NIST, Mat Sci & Engn Div, Gaithersburg, MD 20899 USA.
[Barlat, F.] POSTECH, Grad Inst Ferrous Technol, Pohang Si, South Korea.
RP Wang, H (reprint author), Los Alamos Natl Lab, Mat Sci & Technol, Los Alamos, NM 87701 USA.
EM wanghm@lanl.gov
RI Jeong, Youngung/H-3732-2016; Wang, Huamiao/F-7693-2010; Clausen,
Bjorn/B-3618-2015; Liu, Yue/H-4071-2014;
OI Jeong, Youngung/0000-0001-6496-8115; Wang, Huamiao/0000-0002-7167-2483;
Clausen, Bjorn/0000-0003-3906-846X; Liu, Yue/0000-0001-8518-5734;
McCabe, Rodney /0000-0002-6684-7410
FU U.S. Department of Energy, Office of Basic Energy Sciences [FWP
06SCPE401]; DOE [DE-AC52-06NA25396]; POSCO
FX This work is funded by the U.S. Department of Energy, Office of Basic
Energy Sciences Project FWP 06SCPE401. This work has benefited from the
use of SMARTS and HIPPO at the Lujan Center at Los Alamos Science
Center. Los Alamos National Laboratory is operated by Los Alamos
National Security LLC under DOE contract DE-AC52-06NA25396. YJ and FB
acknowledge POSCO for financial support and for providing the test
samples.
NR 48
TC 7
Z9 7
U1 4
U2 47
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0921-5093
EI 1873-4936
J9 MAT SCI ENG A-STRUCT
JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process.
PD JAN 1
PY 2016
VL 649
BP 174
EP 183
DI 10.1016/j.msea.2015.09.108
PG 10
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Metallurgy & Metallurgical Engineering
SC Science & Technology - Other Topics; Materials Science; Metallurgy &
Metallurgical Engineering
GA CW2BP
UT WOS:000364796400022
ER
PT J
AU Dittrich, TM
Reimus, PW
AF Dittrich, Timothy M.
Reimus, Paul W.
TI Reactive transport of uranium in fractured crystalline rock: Upscaling
in time and distance
SO JOURNAL OF ENVIRONMENTAL MANAGEMENT
LA English
DT Article
DE Uranium; Grimsel granodiorite; Reactive transport modeling; Sorption
kinetics; Rate coefficients; Column experiments
ID BENTONITE COLLOIDS; SORPTION; ADSORPTION; KINETICS; SEDIMENTS; METALS;
U(VI); PH
AB Batch adsorption and breakthrough column experiments were conducted to evaluate uranium transport through altered material that fills fractures in a granite rock system at the Grimsel Test Site in Switzerland at pH 6.9 and 7.9. The role of adsorption and desorption kinetics was evaluated with reactive transport modeling by comparing one-, two-, and three-site models. Emphasis was placed on describing long desorption tails that are important for upscaling in time and distance. The effect of increasing pH in injection solutions was also evaluated. For pH 6.9, a three-site model with forward rate constants between 0.07 and 0.8 ml g(-1) h(-1), reverse rate constants between 0.001 and 0.06 h(-1), and site densities of 1.3, 0.104, and 0.026 p.mol g(-1) for 'weak/fast', 'strong/slow', and 'very strong/very slow' sites provided the best fits. For pH 7.9, a three-site model with forward rate constants between 0.05 and 0.8 mL g(-1) reverse rate constants between 0.001 and 0.6 h(-1), and site densities of 1.3, 0.039, and 0.013 mu mol g(-1) for a 'weak/fast', 'strong/slow', and 'very strong/very slow' sites provided the best fits. Column retardation coefficients (R-d) were 80 for pH 6.9 and 10.3 for pH 7.9. Model parameters determined from the batch and column experiments were used in 50 year large-scale simulations for continuous and pulse injections and indicated that a three-site model is necessary at pH 6.9, although a K-d-type equilibrium partition model with one-site was adequate for large scale predictions at pH 7.9. Batch experiments were useful for predicting early breakthrough times in the columns while column experiments helped differentiate the relative importance of sorption sites and desorption rate constants on transport. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Dittrich, Timothy M.; Reimus, Paul W.] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA.
RP Dittrich, TM (reprint author), Los Alamos Natl Lab, POB 1663,Mail Stop J966, Los Alamos, NM 87545 USA.
EM timdittrich@lanl.gov
OI Dittrich, Timothy M/0000-0003-3019-6780
FU U.S. DOE Nuclear Energy Office, Fuel Cycle R&D Program, Used Fuel
Disposition Campaign
FX The authors would like to thank Doug Ware for his assistance with
experimental setup, liquid scintillation counting protocols, sample
analysis, and microphotograph imagery. We also thank Cindy Dean for the
PHREEQC calculations of U speciation in the SGGW at the different pHs,
and Ingo Blechschmidt of the Swiss Nuclear Waste Cooperative, NAGRA, for
providing the granodiorite and FFM materials. This work was supported by
the U.S. DOE Nuclear Energy Office, Fuel Cycle R&D Program, Used Fuel
Disposition Campaign, which is administered by Sandia National
Laboratories.
NR 29
TC 0
Z9 0
U1 5
U2 30
PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD
PI LONDON
PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND
SN 0301-4797
EI 1095-8630
J9 J ENVIRON MANAGE
JI J. Environ. Manage.
PD JAN 1
PY 2016
VL 165
BP 124
EP 132
DI 10.1016/j.jenvman.2015.09.014
PG 9
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA CV9NF
UT WOS:000364613200014
PM 26431639
ER
PT J
AU Zhang, XD
Sun, AY
Duncan, IJ
AF Zhang, Xiaodong
Sun, Alexander Y.
Duncan, Ian J.
TI Shale gas wastewater management under uncertainty
SO JOURNAL OF ENVIRONMENTAL MANAGEMENT
LA English
DT Article
DE Shale gas; Hydraulic fracturing; Wastewater management; Uncertainty
ID NATURAL-GAS; PENNSYLVANIA; CHALLENGES; PARAMETERS; RESOURCES; DRIVERS;
PLAYS; TEXAS
AB This work presents an optimization framework for evaluating different wastewater treatment/disposal options for water management during hydraulic fracturing (HF) operations. This framework takes into account both cost-effectiveness and system uncertainty. HF has enabled rapid development of shale gas resources. However, wastewater management has been one of the most contentious and widely publicized issues in shale gas production. The flowback and produced water (known as FP water) generated by HF may pose a serious risk to the surrounding environment and public health because this wastewater usually contains many toxic chemicals and high levels of total dissolved solids (TDS). Various treatment/disposal options are available for FP water management, such as underground injection, hazardous wastewater treatment plants, and/or reuse. In order to cost-effectively plan FP water management practices, including allocating FP water to different options and planning treatment facility capacity expansion, an optimization model named UO-FPW is developed in this study. The UO-FPW model can handle the uncertain information expressed in the form of fuzzy membership functions and probability density functions in the modeling parameters. The UO-FPW model is applied to a representative hypothetical case study to demonstrate its applicability in practice. The modeling results reflect the tradeoffs between economic objective (i.e., minimizing total-system cost) and system reliability (i.e., risk of violating fuzzy and/or random constraints, and meeting FP water treatment/disposal requirements). Using the developed optimization model, decision makers can make and adjust appropriate FP water management strategies through refining the values of feasibility degrees for fuzzy constraints and the probability levels for random constraints if the solutions are not satisfactory. The optimization model can be easily integrated into decision support systems for shale oil/gas lifecycle management. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Zhang, Xiaodong] Los Alamos Natl Lab, Earth & Environm Sci, Los Alamos, NM 87545 USA.
[Zhang, Xiaodong; Sun, Alexander Y.; Duncan, Ian J.] Univ Texas Austin, Jackson Sch Geosci, Bur Econ Geol, Austin, TX 78713 USA.
RP Zhang, XD (reprint author), Los Alamos Natl Lab, Earth & Environm Sci, EES-16, Los Alamos, NM 87545 USA.
EM gerryzxd@gmail.com
RI Sun, Alexander/A-9959-2011; zhang, xiaodong/F-3798-2012
OI zhang, xiaodong/0000-0001-5353-1647
NR 44
TC 3
Z9 3
U1 8
U2 83
PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD
PI LONDON
PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND
SN 0301-4797
EI 1095-8630
J9 J ENVIRON MANAGE
JI J. Environ. Manage.
PD JAN 1
PY 2016
VL 165
BP 188
EP 198
DI 10.1016/j.jenvman.2015.09.038
PG 11
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA CV9NF
UT WOS:000364613200022
PM 26433360
ER
PT J
AU Vandiver, MA
Caire, BR
Pandey, TP
Li, YF
Seifert, S
Kusoglu, A
Knauss, DM
Herring, AM
Liberatore, MW
AF Vandiver, Melissa A.
Caire, Benjamin R.
Pandey, Tara P.
Li, Yifan
Seifert, Soenke
Kusoglu, Ahmet
Knauss, Daniel M.
Herring, Andrew M.
Liberatore, Matthew W.
TI Effect of hydration on the mechanical properties and ion conduction in a
polyethylene-b-poly(vinylbenzyl trimethylammonium) anion exchange
membrane
SO JOURNAL OF MEMBRANE SCIENCE
LA English
DT Article
DE Anion exchange membranes; Conductivity; Mechanical properties; Dynamic
mechanical analysis
ID ALKALINE FUEL-CELLS; WATER-UPTAKE; POLYETHYLENE; DEGRADATION; AMMONIUM;
FTIR; FILMS; ATR
AB Anion exchange membranes (AEM) are promising solid polymer electrolytes utilized in alkali fuel cells and electrochemical energy conversion devices. AEMs must efficiently conduct ions while maintaining chemical and mechanical stability under a range of operating conditions. The ionic nature of AEMs leads to stiff and brittle membranes under dry conditions while at higher hydrations, water sorption causes significant softening and weakening of the membrane. In this work, a new polyethylene-b-poly(vinylbenzyl trimethylammonium) polymer (70 kg/mol) was cast into large (300 cm(2)), thin (12 +/- 3 mu m) membranes. These membranes exhibited improved elasticity over previously tested AEMs, minimal dimensional swelling, and moderate ionic conductivity (5 +/- 2 mS/cm at 50 degrees C, 95% RH in the bromide form). Extensional testing indicated a 95% reduction in Young's modulus between dry and hydrated states. Further investigation of the complex modulus as a function of hydration, by dynamic mechanical analysis, revealed a sharp decrease in modulus between dry and hydrated states. Mechanical softening was reversible, but the location of the transition displayed hysteresis between humidification and dehumidification. Conductivity increased after membrane softening; suggesting bulk mechanical properties can identify the hydration level required for improved ion transport. Understanding the relationship between ion conduction and mechanical properties will help guide AEM development and identify operating conditions for sustained performance. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Vandiver, Melissa A.; Caire, Benjamin R.; Pandey, Tara P.; Herring, Andrew M.; Liberatore, Matthew W.] Dept Chem & Biol Engn, Golden, CO 80401 USA.
[Vandiver, Melissa A.; Caire, Benjamin R.; Pandey, Tara P.; Herring, Andrew M.; Liberatore, Matthew W.] Colorado Sch Mines, Golden, CO 80401 USA.
[Li, Yifan; Knauss, Daniel M.] Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA.
[Seifert, Soenke] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA.
[Kusoglu, Ahmet] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Electrochem Technol Grp, Berkeley, CA 94720 USA.
RP Liberatore, MW (reprint author), Dept Chem & Biol Engn, Golden, CO 80401 USA.
EM mliberat@mines.edu
RI Liberatore, Matthew/B-6828-2008;
OI Caire, Benjamin/0000-0003-3379-7733; Kusoglu, Ahmet/0000-0002-2761-1050;
Herring, Andrew/0000-0001-7318-5999
FU Army Research Office, United States under the MURI [W911NF-10-1-0520];
Army Research Office, United States under the DURIP [W911NF-11-1-0306,
W911NF-11-1-0462]; DOE Office of Science by Argonne National Laboratory
[DE-AC02-06CH11357]
FX The authors thank the Army Research Office, United States for support of
this research under the MURI #W911NF-10-1-0520, DURIP #W911NF-11-1-0306
and DURIP #W911NF-11-1-0462. 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 44
TC 6
Z9 6
U1 15
U2 80
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0376-7388
EI 1873-3123
J9 J MEMBRANE SCI
JI J. Membr. Sci.
PD JAN 1
PY 2016
VL 497
BP 67
EP 76
DI 10.1016/j.memsci.2015.09.034
PG 10
WC Engineering, Chemical; Polymer Science
SC Engineering; Polymer Science
GA CU9GH
UT WOS:000363852200007
ER
PT J
AU Oda, T
Weber, WJ
Tanigawa, H
AF Oda, Takuji
Weber, William J.
Tanigawa, Hisashi
TI Two-body potential model based on cosine series expansion for ionic
materials
SO COMPUTATIONAL MATERIALS SCIENCE
LA English
DT Article
DE Potential model; Fourier series; Ionic materials
ID MOLECULAR-DYNAMICS SIMULATIONS; INTERATOMIC POTENTIALS; BASIS-SET;
ENERGY; HYDROCARBONS; PRESSURE; SURFACES; SYSTEMS; POINTS; OXIDES
AB A method to construct a two-body potential model for ionic materials with a Fourier series basis is examined. In this method, the coefficients of cosine basis functions are uniquely determined by solving simultaneous linear equations to minimize the sum of weighted mean square errors in energy, force and stress, where first-principles calculation results are used as the reference data. As a validation test of the method, potential models for magnesium oxide are constructed. The mean square errors appropriately converge with respect to the truncation of the cosine series. This result mathematically indicates that the constructed potential model is sufficiently close to the one that is achieved with the non-truncated Fourier series and demonstrates that this potential virtually provides minimum error from the reference data within the two-body representation. The constructed potential models work appropriately in both molecular statics and dynamics simulations, especially if a two-step correction to revise errors expected in the reference data is performed, and the models clearly outperform two existing Buckingham potential models that were tested. The good agreement over a broad range of energies and forces with first-principles calculations should enable the prediction of materials behavior away from equilibrium conditions, such as a system under irradiation. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Oda, Takuji] Seoul Natl Univ, Dept Nucl Engn, Seoul 151, South Korea.
[Weber, William J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[Weber, William J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN USA.
[Tanigawa, Hisashi] Japan Atom Energy Agcy, Fus Res & Dev Directorate, Zurich, Switzerland.
RP Oda, T (reprint author), Seoul Natl Univ, Dept Nucl Engn, Seoul 151, South Korea.
EM oda@snu.ac.kr
RI Weber, William/A-4177-2008
OI Weber, William/0000-0002-9017-7365
FU BK 21 plus project; Center for Advanced Research in Fusion Reactor
Engineering (CARFRE); Aspiring Researcher Program of Seoul National
University (SNU); U.S. Department of Energy, Office of Science, Basic
Energy Sciences, Materials Sciences and Engineering Division
FX This research was supported by BK 21 plus project, the Center for
Advanced Research in Fusion Reactor Engineering (CARFRE) and 2014
Aspiring Researcher Program of Seoul National University (SNU). One of
the authors (WJW) was supported by the U.S. Department of Energy, Office
of Science, Basic Energy Sciences, Materials Sciences and Engineering
Division. The calculations in this research were carried out using the
HELIOS supercomputer system at the Computational Simulation Center of
the International Fusion Research Center (IFERC-CSC) in Japan.
NR 37
TC 0
Z9 0
U1 2
U2 19
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 2016
VL 111
BP 54
EP 63
DI 10.1016/j.commatsci.2015.08.055
PG 10
WC Materials Science, Multidisciplinary
SC Materials Science
GA CV3MX
UT WOS:000364164400009
ER
PT J
AU Ni, C
Ding, H
Jin, XJ
AF Ni, Chang
Ding, Hong
Jin, Xuejun
TI Super-plasticity via secondary twinning in magnesium nanowire revealed
by molecular dynamics simulations
SO COMPUTATIONAL MATERIALS SCIENCE
LA English
DT Article
DE Twinning; Superplasticity; Nanowire; Magnesium; Molecular dynamics
ID LATTICE DISLOCATIONS; NANOCRYSTALLINE MG; DEFORMATION; TWINS; BEHAVIOR;
ALLOYS; BOUNDARIES; TI; PROPAGATION; DUCTILITY
AB We have explored the secondary twinning contribution to the ductility of the magnesium nanowire using molecular dynamics simulations. An ultrahigh 60% elongation is presented in < 11 (2) over bar0 >-oriented nanowires during tensile deformation as result of primary and sequential secondary twinning processes. Crystallographic and stress field analyses identify the dominant contribution from the formation and procreation of {(1) over bar(1) over bar 21} mode secondary twin to the elongation. Our results provide new insight of improving structural alloy ductility through twining-induced plasticity at the nanoscale. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Ni, Chang; Jin, Xuejun] Shanghai Jiao Tong Univ, Sch Mat Sci & Engn, State Key Lab Met Matrix Composites, Shanghai 200240, Peoples R China.
[Ding, Hong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Ni, Chang] Semicond Mfg Int Corp, Technol R&D, Shanghai 201203, Peoples R China.
RP Jin, XJ (reprint author), Shanghai Jiao Tong Univ, Sch Mat Sci & Engn, State Key Lab Met Matrix Composites, Shanghai 200240, Peoples R China.
EM jin@sjtu.edu.cn
FU National Natural Science Foundation of China [51571141, 51201105];
National Youth Science Foundation [51201100]; China Scholarship Council
(CSC)
FX The authors are grateful for partial financial support from National
Natural Science Foundation of China (Nos. 51571141 and 51201105) and
National Youth Science Foundation (No. 51201100). The first author are
grateful to the kind support of China Scholarship Council (CSC). The
authors also acknowledge professor Mark Asta for his valuable
suggestions and the access to the computational facilities of the
University of California, Berkeley.
NR 60
TC 4
Z9 4
U1 6
U2 31
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 2016
VL 111
BP 163
EP 174
DI 10.1016/j.commatsci.2015.09.016
PG 12
WC Materials Science, Multidisciplinary
SC Materials Science
GA CV3MX
UT WOS:000364164400023
ER
PT J
AU Ahrens, J
Andrienko, G
Chen, M
Lee, BS
Ma, KL
Roerdink, J
Tory, M
Qu, HM
AF Ahrens, James
Andrienko, Gennady
Chen, Min
Lee, Bongshin
Ma, Kwan-Liu
Roerdink, Jos
Tory, Melanie
Qu, Huamin
TI Preface
SO IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
LA English
DT Editorial Material
C1 [Ahrens, James] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Andrienko, Gennady] Fraunhofer Inst IAIS, Sankat Augustin, Germany.
[Andrienko, Gennady] City Univ London, London, England.
[Chen, Min] Univ Oxford, Sci Visualizat, Oxford OX1 2JD, England.
[Ma, Kwan-Liu] Univ Calif Davis, Comp Sci, Davis, CA 95616 USA.
[Roerdink, Jos] Univ Groningen, Sci Visualizat & Comp Graph, NL-9700 AB Groningen, Netherlands.
[Qu, Huamin] Hong Kong Univ Sci & Technol, Dept Comp Sci & Engn, Hong Kong, Hong Kong, Peoples R China.
RP Ahrens, J (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
NR 0
TC 0
Z9 0
U1 1
U2 1
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 1077-2626
EI 1941-0506
J9 IEEE T VIS COMPUT GR
JI IEEE Trans. Vis. Comput. Graph.
PD JAN
PY 2016
VL 22
IS 1
BP XI
EP XV
PG 5
WC Computer Science, Software Engineering
SC Computer Science
GA CV1UK
UT WOS:000364043400002
PM 26844306
ER
PT J
AU Ragan, ED
Endert, A
Sanyal, J
Chen, J
AF Ragan, Eric D.
Endert, Alex
Sanyal, Jibonananda
Chen, Jian
TI Characterizing Provenance in Visualization and Data Analysis: An
Organizational Framework of Provenance Types and Purposes
SO IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
LA English
DT Article; Proceedings Paper
CT 10th IEEE Conference on Visual Analytics Science and Technology (VAST) /
IEEE VIS Conference
CY OCT 25-30, 2015
CL Chicago, IL
SP IEEE, IEEE Comp Soc, IEEE Visualizat and Graph Tech Comm, InfoVis, SciVis
DE Provenance; Analytic provenance; Visual analytics; Framework;
Visualization; Conceptual model
ID INFORMATION VISUALIZATION; VISUAL ANALYTICS; INSIGHT; EXPLORATION;
COMMUNICATION; CHALLENGE; TAXONOMY; MODEL
AB While the primary goal of visual analytics research is to improve the quality of insights and findings, a substantial amount of research in provenance has focused on the history of changes and advances throughout the analysis process. The term, provenance, has been used in a variety of ways to describe different types of records and histories related to visualization. The existing body of provenance research has grown to a point where the consolidation of design knowledge requires cross-referencing a variety of projects and studies spanning multiple domain areas. We present an organizational framework of the different types of provenance information and purposes for why they are desired in the field of visual analytics. Our organization is intended to serve as a framework to help researchers specify types of provenance and coordinate design knowledge across projects. We also discuss the relationships between these factors and the methods used to capture provenance information. In addition, our organization can be used to guide the selection of evaluation methodology and the comparison of study outcomes in provenance research.
C1 [Ragan, Eric D.] Texas A&M Univ, College Stn, TX 77843 USA.
[Endert, Alex] Georgia Tech, Atlanta, GA USA.
[Sanyal, Jibonananda] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Chen, Jian] Univ Maryland Baltimore Cty, Baltimore, MD 21228 USA.
RP Ragan, ED (reprint author), Texas A&M Univ, College Stn, TX 77843 USA.
EM ragane@acm.org; endert@gatech.edu; sanyalj@ornl.gov; jichen@umbc.edu
FU NSF [DBI-1260795, IIS-1302755, MRI-1531491]; NIST [MSE-20NANB12H181];
DoD [USAMRAA-13318046]
FX This work was supported in part by grants from NSF DBI-1260795,
IIS-1302755, and MRI-1531491, NIST MSE-20NANB12H181, and DoD
USAMRAA-13318046. Any opinions, findings, 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, National Institute of Standards and Technology, or
Department of Defense. This submission was written by authors acting in
their own independent capacity and not on behalf of UT-Battelle, LLC, or
its affiliates or successors.
NR 97
TC 6
Z9 6
U1 6
U2 12
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 1077-2626
EI 1941-0506
J9 IEEE T VIS COMPUT GR
JI IEEE Trans. Vis. Comput. Graph.
PD JAN
PY 2016
VL 22
IS 1
BP 31
EP 40
DI 10.1109/TVCG.2015.2467551
PG 10
WC Computer Science, Software Engineering
SC Computer Science
GA CV1UK
UT WOS:000364043400008
PM 26340779
ER
PT J
AU Guo, HQ
Phillips, CL
Peterka, T
Karpeyev, D
Glatz, A
AF Guo, Hanqi
Phillips, Carolyn L.
Peterka, Tom
Karpeyev, Dmitry
Glatz, Andreas
TI Extracting, Tracking, and Visualizing Magnetic Flux Vortices in 3D
Complex-Valued Superconductor Simulation Data
SO IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
LA English
DT Article; Proceedings Paper
CT 10th IEEE Conference on Visual Analytics Science and Technology (VAST) /
IEEE VIS Conference
CY OCT 25-30, 2015
CL Chicago, IL
SP IEEE, IEEE Comp Soc, IEEE Visualizat & Graph Tech Comm, InfoVis, SciVis
DE Superconductor; Vortex extraction; Feature tracking; Unstructured grid
ID VECTOR-FIELDS; VORTEX; FLOWS
AB We propose a method for the vortex extraction and tracking of superconducting magnetic flux vortices for both structured and unstructured mesh data. In the Ginzburg-Landau theory, magnetic flux vortices are well-defined features in a complex-valued order parameter field, and their dynamics determine electromagnetic properties in type-II superconductors. Our method represents each vortex line (a 10 curve embedded in 3D space) as a connected graph extracted from the discretized field in both space and time. For a time-varying discrete dataset, our vortex extraction and tracking method is as accurate as the data discretization. We then apply 3D visualization and 2D event diagrams to the extraction and tracking results to help scientists understand vortex dynamics and macroscale superconductor behavior in greater detail than previously possible.
C1 [Guo, Hanqi; Phillips, Carolyn L.; Peterka, Tom; Karpeyev, Dmitry] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA.
RP Guo, HQ (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM hguo@anl.gov; cphillips@anl.gov; tpeterka@mcs.anl.gov
OI Guo, Hanqi/0000-0001-7776-1834
FU U.S. Department of Energy, Office of Science [DE-AC02-06CH11357]; U.S.
Department of Energy, Office of Advanced Scientific Computing Research,
Scientific Discovery through Advanced Computing (SciDAC) program
FX We thank Chunhui Liu for useful discussions. This material is based upon
work supported by the U.S. Department of Energy, Office of Science,
under contract number DE-AC02-06CH11357. This work is also supported by
the U.S. Department of Energy, Office of Advanced Scientific Computing
Research, Scientific Discovery through Advanced Computing (SciDAC)
program.
NR 39
TC 1
Z9 1
U1 0
U2 2
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 1077-2626
EI 1941-0506
J9 IEEE T VIS COMPUT GR
JI IEEE Trans. Vis. Comput. Graph.
PD JAN
PY 2016
VL 22
IS 1
BP 827
EP 836
DI 10.1109/TVCG.2015.2466838
PG 10
WC Computer Science, Software Engineering
SC Computer Science
GA CV1UK
UT WOS:000364043400088
PM 26529730
ER
PT J
AU Woodring, J
Petersen, M
Schmeisser, A
Patchett, J
Ahrens, J
Hagen, H
AF Woodring, Jonathan
Petersen, Mark
Schmeisser, Andre
Patchett, John
Ahrens, James
Hagen, Hans
TI In Situ Eddy Analysis in a High-Resolution Ocean Climate Model
SO IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
LA English
DT Article; Proceedings Paper
CT 10th IEEE Conference on Visual Analytics Science and Technology (VAST) /
IEEE VIS Conference
CY OCT 25-30, 2015
CL Chicago, IL
SP IEEE, IEEE Comp Soc, IEEE Visualizat and Graph Tech Comm, InfoVis, SciVis
DE In situ analysis; online analysis; mesoscale eddies; ocean modeling;
climate modeling; simulation; feature extraction; feature analysis; high
performance computing; supercomputing; software engineering;
collaborative development; revision control
ID OVERTURNING CIRCULATION; SOUTHERN-OCEAN; VISUALIZATION; EDDIES;
QUANTIFICATION; SIMULATION; TRACKING; GEOMETRY; CENSUS; CORES
AB An eddy is a feature associated with a rotating body of fluid, surrounded by a ring of shearing fluid. In the ocean, eddies are 10 to 150 km in diameter, are spawned by boundary currents and baroclinic instabilities, may live for hundreds of days, and travel for hundreds of kilometers. Eddies are important in climate studies because they transport heat, salt, and nutrients through the world's oceans and are vessels of biological productivity. The study of eddies in global ocean-climate models requires large-scale, high-resolution simulations. This poses a problem for feasible (timely) eddy analysis, as ocean simulations generate massive amounts of data, causing a bottleneck for traditional analysis workflows. To enable eddy studies, we have developed an in situ workflow for the quantitative and qualitative analysis of MPAS-Ocean, a high-resolution ocean climate model, in collaboration with the ocean model research and development process. Planned eddy analysis at high spatial and temporal resolutions will not be possible with a post-processing workflow due to various constraints, such as storage size and I/0 time, but the in situ workflow enables it and scales well to ten-thousand processing elements.
C1 [Woodring, Jonathan; Petersen, Mark; Patchett, John; Ahrens, James] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Schmeisser, Andre; Hagen, Hans] Univ Kaiserslautern, Comp Graph & HCI Grp, D-67663 Kaiserslautern, Germany.
RP Woodring, J (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM woodring@lanl.gov; mpetersen@lanl.gov; schmeisser@itwm.fhg.de;
patchett@lanl.gov; ahrens@lanl.gov; hagen@informatik.uni-kl.de
OI Schmeisser, Andre/0000-0002-4400-9635; Petersen,
Mark/0000-0001-7170-7511
FU Los Alamos National Laboratory Laboratory Directed Research and
Development Exploratory Research program [20130457ER]; U.S. Department
of Energy, Office of Science, Office of Biological and Environmental
Research
FX We would like to thank Doug Jacobsen, Todd Ringler, and the rest of the
MPAS-Ocean core learn for their support. The authors would also like to
acknowledge the Fraunhofer Institute for Industrial Mathematics ITWM,
the Stiftung Rheinland-Pfalz fur Innovation, the Los Alamos National
Laboratory Laboratory Directed Research and Development Exploratory
Research program (20130457ER), the Advanced Simulation and Computing
program under the National Nuclear Security Agency, and the Accelerated
Climate Modeling for Energy project supported by the U.S. Department of
Energy, Office of Science, Office of Biological and Environmental
Research.
NR 54
TC 2
Z9 2
U1 0
U2 7
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 1077-2626
EI 1941-0506
J9 IEEE T VIS COMPUT GR
JI IEEE Trans. Vis. Comput. Graph.
PD JAN
PY 2016
VL 22
IS 1
BP 857
EP 866
DI 10.1109/TVCG.2015.2467411
PG 10
WC Computer Science, Software Engineering
SC Computer Science
GA CV1UK
UT WOS:000364043400091
PM 26353372
ER
PT J
AU Gyulassy, A
Knoll, A
Lau, KC
Wang, B
Bremer, PT
Papka, ME
Curtiss, LA
Pascucci, V
AF Gyulassy, Attila
Knoll, Aaron
Lau, Kah Chun
Wang, Bei
Bremer, Peer-Timo
Papka, Michael E.
Curtiss, Larry A.
Pascucci, Valerio
TI Interstitial and Interlayer Ion Diffusion Geometry Extraction in
Graphitic Nanosphere Battery Materials
SO IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
LA English
DT Article; Proceedings Paper
CT 10th IEEE Conference on Visual Analytics Science and Technology (VAST) /
IEEE VIS Conference
CY OCT 25-30, 2015
CL Chicago, IL
SP IEEE, IEEE Comp Soc, IEEE Visualizat and Graph Tech Comm, InfoVis, SciVis
DE materials science; morse-smale; topology; Delaunay; computational
geometry
ID MACROMOLECULES; VISUALIZATION; PROTEINS; CAVITIES; POCKETS; ALGORITHMS;
CHALLENGES; DIAGRAMS; CHANNELS; SHAPE
AB Large-scale molecular dynamics (MD) simulations are commonly used for simulating the synthesis and ion diffusion of battery materials. A good battery anode material is determined by its capacity to store ion or other diffusers. However, modeling of ion diffusion dynamics and transport properties at large length and long time scales would be impossible with current MD codes. To analyze the fundamental properties of these materials, therefore, we turn to geometric and topological analysis of their structure. In this paper, we apply a novel technique inspired by discrete Morse theory to the Delaunay triangulation of the simulated geometry of a thermally annealed carbon nanosphere. We utilize our computed structures to drive further geometric analysis to extract the interstitial diffusion structure as a single mesh. Our results provide a new approach to analyze the geometry of the simulated carbon nanosphere, and new insights into the role of carbon defect size and distribution in determining the charge capacity and charge dynamics of these carbon based battery materials.
C1 [Gyulassy, Attila; Knoll, Aaron; Wang, Bei; Pascucci, Valerio] Univ Utah, SCI Inst, Salt Lake City, UT 84112 USA.
[Lau, Kah Chun; Papka, Michael E.; Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Bremer, Peer-Timo] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Gyulassy, A (reprint author), Univ Utah, SCI Inst, Salt Lake City, UT 84112 USA.
EM jediati@sci.utah.edu; knolla@sci.utah.edu; kclau@anl.gov;
beiwang@sci.utah.edu; bremer5@llnl.gov; papka@anl.gov; curtiss@anl.gov;
pascucci@sci.utah.edu
FU Center for Electricity Energy Storage (CEES), an Energy Frontier
Research Center (EFRC); Argonne Leadership Computing Facility under the
U.S. Department of Energy, Office of Science, Office of Basic Energy
[DE-AC02-06CH11357]; NSF CISE at the University of Utah [ACI-0904631]
FX This research was supported as part of the Center for Electricity Energy
Storage (CEES), an Energy Frontier Research Center (EFRC) and Argonne
Leadership Computing Facility under the U.S. Department of Energy,
Office of Science, Office of Basic Energy (Award Number
DE-AC02-06CH11357). This work was also supported in part by the NSF CISE
ACI-0904631 at the University of Utah. We would like to thank Mark West
and Intel Corporation for their generous donation of hard ware.
NR 56
TC 0
Z9 0
U1 2
U2 20
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 1077-2626
EI 1941-0506
J9 IEEE T VIS COMPUT GR
JI IEEE Trans. Vis. Comput. Graph.
PD JAN
PY 2016
VL 22
IS 1
BP 916
EP 925
DI 10.1109/TVCG.2015.2467432
PG 10
WC Computer Science, Software Engineering
SC Computer Science
GA CV1UK
UT WOS:000364043400097
PM 26529736
ER
PT J
AU Gu, Y
Wang, CL
Peterka, T
Jacob, R
Kim, SH
AF Gu, Yi
Wang, Chaoli
Peterka, Tom
Jacob, Robert
Kim, Seung Hyun
TI Mining Graphs for Understanding Time-Varying Volumetric Data
SO IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
LA English
DT Article; Proceedings Paper
CT 10th IEEE Conference on Visual Analytics Science and Technology (VAST) /
IEEE VIS Conference
CY OCT 25-30, 2015
CL Chicago, IL
SP IEEE, IEEE Comp Soc, IEEE Visualizat and Graph Tech Comm, InfoVis, SciVis
DE Time-varying data visualization; graph simplification; community
detection; visual recommendation
ID VISUALIZATION
AB A notable recent trend in time-varying volumetric data analysis and visualization is to extract data relationships and represent them in a low-dimensional abstract graph view for visual understanding and making connections to the underlying data. Nevertheless, the ever-growing size and complexity of data demands novel techniques that go beyond standard brushing and linking to allow significant reduction of cognition overhead and interaction cost. In this paper, we present a mining approach that automatically extracts meaningful features from a graph-based representation for exploring time-varying volumetric data. This is achieved through the utilization of a series of graph analysis techniques including graph simplification, community detection, and visual recommendation. We investigate the most important transition relationships for time-varying data and evaluate our solution with several time-varying data sets of different sizes and characteristics. For gaining insights from the data, we show that our solution is more efficient and effective than simply asking users to extract relationships via standard interaction techniques, especially when the data set is large and the relationships are complex. We also collect expert feedback to confirm the usefulness of our approach.
C1 [Gu, Yi; Wang, Chaoli] Univ Notre Dame, Dept Comp Sci & Engn, Notre Dame, IN 46556 USA.
[Peterka, Tom; Jacob, Robert] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA.
[Kim, Seung Hyun] Ohio State Univ, Dept Mech & Aerosp Engn, Columbus, OH 43210 USA.
RP Gu, Y (reprint author), Univ Notre Dame, Dept Comp Sci & Engn, Notre Dame, IN 46556 USA.
EM ygu5@nd.edu; chaoli.wang@nd.edu; tpeterka@mcs.anl.gov;
jacob@mcs.anl.gov; kim.5061@osu.edu
RI Kim, Seung Hyun/N-7343-2016
FU U.S. National Science Foundation [IIS-1456763, IIS-1455886]; U.S.
Department of Energy [DE-FC02-06ER25777]; Advanced Scientific Computing
Research, Office of Science, U.S. Department of Energy
[DE-AC02-06CH11357]
FX This research was supported in part by the U.S. National Science
Foundation through grants IIS-1456763 and IIS-1455886, the U.S.
Department of Energy with Agreement No. DE-FC02-06ER25777, and the
Advanced Scientific Computing Research, Office of Science, U.S.
Department of Energy, under Contract No. DE-AC02-06CH11357. Special
thanks to Dr. Amanda Sgroi for her narration of the accompanying video
and the anonymous reviewers for their insightful comments.
NR 27
TC 1
Z9 1
U1 0
U2 7
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 1077-2626
EI 1941-0506
J9 IEEE T VIS COMPUT GR
JI IEEE Trans. Vis. Comput. Graph.
PD JAN
PY 2016
VL 22
IS 1
BP 965
EP 974
DI 10.1109/TVCG.2015.2468031
PG 10
WC Computer Science, Software Engineering
SC Computer Science
GA CV1UK
UT WOS:000364043400102
ER
PT J
AU Weiss, K
Lindstrom, P
AF Weiss, Kenneth
Lindstrom, Peter
TI Adaptive Multi linear Tensor Product Wavelets
SO IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
LA English
DT Article; Proceedings Paper
CT 10th IEEE Conference on Visual Analytics Science and Technology (VAST) /
IEEE VIS Conference
CY OCT 25-30, 2015
CL Chicago, IL
SP IEEE, IEEE Comp Soc, IEEE Visualizat and Graph Tech Comm, InfoVis, SciVis
DE Multi linear interpolation; adaptive wavelets; multiresolution models;
octrees; continuous reconstruction
ID DIAMOND HIERARCHIES; MESH REFINEMENT; MARCHING CUBES; ISOSURFACES;
RECONSTRUCTION; VISUALIZATION; SUBDIVISION; TRANSFORMS; MODELS; ERROR
AB Many foundational visualization techniques including isosurfacing, direct volume rendering and texture mapping rely on piecewise multilinear interpolation over the cells of a mesh. However, there has not been much focus within the visualization community on techniques that efficiently generate and encode globally continuous functions defined by the union of multilinear cells. Wavelets provide a rich context for analyzing and processing complicated datasets. In this paper, we exploit adaptive regular refinement as a means of representing and evaluating functions described by a subset of their nonzero wavelet coefficients. We analyze the dependencies involved in the wavelet transform and describe how to generate and represent the coarsest adaptive mesh with nodal function values such that the inverse wavelet transform is exactly reproduced via simple interpolation (subdivision) over the mesh elements. This allows for an adaptive, sparse representation of the function with on-demand evaluation at any point in the domain. We focus on the popular wavelets formed by tensor products of linear B-splines, resulting in an adaptive, nonconforming but crack-free quadtree (2D) or octree (3D) mesh that allows reproducing globally continuous functions via multilinear interpolation over its cells.
C1 [Weiss, Kenneth; Lindstrom, Peter] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Weiss, K (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
EM kweiss@llnl.gov; pl@llnl.gov
OI Lindstrom, Peter/0000-0003-3817-4199
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; Office of Advanced Scientific Computing Research
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, and was supported by the Office of Advanced
Scientific Computing Research. We wish to thank the reviewers for their
valuable feedback and the various data providers for making their data
sets freely available.
NR 50
TC 0
Z9 0
U1 0
U2 3
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 1077-2626
EI 1941-0506
J9 IEEE T VIS COMPUT GR
JI IEEE Trans. Vis. Comput. Graph.
PD JAN
PY 2016
VL 22
IS 1
BP 985
EP 994
DI 10.1109/TVCG.2015.2467412
PG 10
WC Computer Science, Software Engineering
SC Computer Science
GA CV1UK
UT WOS:000364043400104
PM 26529742
ER
PT J
AU Tagestad, J
Brooks, M
Cullinan, V
Downs, J
McKinley, R
AF Tagestad, Jerry
Brooks, Matthew
Cullinan, Valerie
Downs, Janelle
McKinley, Randy
TI Precipitation regime classification for the Mojave Desert: Implications
for fire occurrence
SO JOURNAL OF ARID ENVIRONMENTS
LA English
DT Article
DE Vegetation; Seasonality; Burn; Lightning; Climate; Drought
ID SOUTHERN NEVADA; ECOSYSTEM; TRANSITION; VEGETATION; HISTORY
AB Long periods of drought or above-average precipitation affect Mojave Desert vegetation condition, biomass and susceptibility to fire. Changes in the seasonality of precipitation alter the likelihood of lightning, a key ignition source for fires. The objectives of this study were to characterize the relationship between recent, historic, and future precipitation patterns and fire. Classifying monthly precipitation data from 1971 to 2010 reveals four precipitation regimes: low winter/low summer, moderate winter/moderate summer, high winter/low summer and high winter/high summer. Two regimes with summer monsoonal precipitation covered only 40% of the Mojave Desert ecoregion but contain 88% of the area burned and 95% of the repeat burn area. Classifying historic precipitation for early-century (wet) and mid-century (drought) periods reveals distinct shifts in regime boundaries. Early-century results are similar to current, while the mid-century results show a sizeable reduction in area of regimes with a strong monsoonal component. Such a shift would suggest that fires during the mid-century period would be minimal and anecdotal records confirm this. Predicted precipitation patterns from downscaled global climate models indicate numerous epochs of high winter precipitation, inferring higher fire potential for many multi-decade periods during the next century. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Tagestad, Jerry; Cullinan, Valerie; Downs, Janelle] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Brooks, Matthew; McKinley, Randy] US Geol Survey, Reston, VA USA.
RP Tagestad, J (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM jerry.tagestad@pnnl.gov
FU Department of Defense, SERDP program [RC-1723]; U.S. Geological Survey,
Ecosystems Program
FX This study was supported by funding from the Department of Defense,
SERDP program Project Number RC-1723, and the U.S. Geological Survey,
Ecosystems Program.
NR 32
TC 1
Z9 1
U1 7
U2 22
PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD
PI LONDON
PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND
SN 0140-1963
EI 1095-922X
J9 J ARID ENVIRON
JI J. Arid. Environ.
PD JAN
PY 2016
VL 124
BP 388
EP 397
DI 10.1016/j.jaridenv.2015.09.002
PG 10
WC Ecology; Environmental Sciences
SC Environmental Sciences & Ecology
GA CV4OA
UT WOS:000364245200042
ER
PT J
AU Patterson, BM
Cordes, NL
Henderson, K
Williams, JJ
Stannard, T
Singh, SS
Ovejero, AR
Xiao, XH
Robinson, M
Chawla, N
AF Patterson, Brian M.
Cordes, Nikolaus L.
Henderson, Kevin
Williams, Jason J.
Stannard, Tyler
Singh, Sudhanshu S.
Ovejero, Angel Rodriguez
Xiao, Xianghui
Robinson, Mathew
Chawla, Nikhilesh
TI In situ X-ray synchrotron tomographic imaging during the compression of
hyper-elastic polymeric materials
SO JOURNAL OF MATERIALS SCIENCE
LA English
DT Article
ID FLEXIBLE POLYURETHANE FOAM; ADVANCED PHOTON SOURCE; FATIGUE-CRACK
GROWTH; POISSONS RATIO; MECHANICAL-BEHAVIOR; MATRIX COMPOSITES;
MICROTOMOGRAPHY; DEFORMATION; MICRO; SOLIDIFICATION
AB Cellular structures are present in many modern and natural materials and their proper utilization is crucial within many industries. Characterizing their structural and mechanical properties is complicated, in that they often have a stochastic cellular structure, and in addition, they often have hyper-elastic (i.e., non-linear) mechanical properties. Understanding the 3D structure and the dynamic response of polymer foams to mechanical stress is a key to predicting lifetime performance, damage pathways, and stress recovery. Therefore, to gain a more complete picture, experiments which are designed to understand their mechanical properties must simultaneously acquire performance metrics during loading. In situ synchrotron X-ray computed tomography can image these cellular materials in 3D during uniaxial compression at a 10(-2) s(-1) strain rate. By utilizing the high X-ray photon flux and high-speed camera provided by beamline 2-BM at the advanced photon source, it is possible to collect a full 3D tomogram (900 radiographs as the sample is rotated 180A degrees) within 1 s. Rotating the sample stage in a washing machine motion allows for a 1 s tomogram to be collected every fifth second. In this study, a series of 20 tomograms were collected as the sample was continuously stressed to a nominal 60 % compression. Several types of silicone foams with various structures were used to explore this technique. Stress-strain curves, collected simultaneously with the 3D tomograms, can be used to directly correlate the morphology with the mechanical performance and visualize in real-time, the buckling of ligaments. In addition, this method allows for the accurate measurement of the Poisson's ratio as a function of compression. Coupling this moderate strain rate 3D data with finite element analysis provides a direct comparison between the true mechanical response and the modeled performance and adds a level of robustness that is not possible with other techniques.
C1 [Patterson, Brian M.; Cordes, Nikolaus L.; Henderson, Kevin] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Williams, Jason J.; Stannard, Tyler; Singh, Sudhanshu S.; Ovejero, Angel Rodriguez; Chawla, Nikhilesh] Arizona State Univ, Tempe, AZ USA.
[Xiao, Xianghui] Argonne Natl Lab, Argonne, IL 60439 USA.
[Robinson, Mathew] Atom Weap Estab, Aldermaston, Berks, England.
RP Patterson, BM (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
EM bpatterson@lanl.gov; ncordes@lanl.gov; kch@lanl.gov;
jason.williams@asu.edu; tyler.stannard@asu.edu; sssingh5@asu.edu;
angel.rodriguezovejero@asu.edu; xhxiao@aps.anl.gov;
mathew.robinson@awe.co.uk; nikhilesh.chawla@asu.edu
OI Singh, Sudhanshu Shekhar/0000-0002-8681-6558; Cordes,
Nikolaus/0000-0003-3367-5592; Patterson, Brian/0000-0001-9244-7376
FU US Department of Energy [DE-AC52-06NA25396]; DOE Office of Science
[DE-AC02-06CH11357]; Enhanced Surveillance Campaign
FX The authors wish to thank Doga Gursoy with his advice in using Tomopy
and Tim Mooney for programming the beamline operation. Los Alamos
National Laboratory is operated by Los Alamos National Security LLC
under contract number DE-AC52-06NA25396 for the US Department of Energy.
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. Funding for this research was provided by the
Enhanced Surveillance Campaign, Tom Zocco, Program Manager and the
Engineering Campaign, Eric Mas, Program Manager.
NR 49
TC 7
Z9 7
U1 6
U2 38
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 2016
VL 51
IS 1
BP 171
EP 187
DI 10.1007/s10853-015-9355-8
PG 17
WC Materials Science, Multidisciplinary
SC Materials Science
GA CV4GZ
UT WOS:000364226400014
ER
PT J
AU Muntifering, B
Kovarik, L
Browning, ND
Pond, RC
Knowlton, WB
Mullner, P
AF Muntifering, B.
Kovarik, L.
Browning, N. D.
Pond, R. C.
Knowlton, W. B.
Muellner, P.
TI Stress-assisted removal of conjugation boundaries in non-modulated
Ni-Mn-Ga by coordinated secondary twinning
SO JOURNAL OF MATERIALS SCIENCE
LA English
DT Article
ID MARTENSITIC TRANSFORMATIONS; SINGLE-CRYSTALS; DEFORMATION;
CRYSTALLOGRAPHY; DISCONNECTIONS; DEFECTS; NI2MNGA; STRAINS; FIELD
AB Observations are presented, obtained by in situ straining and conventional TEM, of a transformation mechanism by coordinated secondary twinning predicted by Mullner and King. The material studied is the martensitic phase of a non-modulated Ni-Mn-Ga alloy, which exhibits a microstructure comprising domains of lamellar matrix/twin composites. Straining these specimens induced lamellar domains to transform into their conjugate counterparts. In this process, secondary twinning generates a change of misorientation between the matrix and twin lamellae of the initial domain by nearly 23A degrees. The orientation evolves over a region behind the transformation front about 100 nm in extent.
C1 [Muntifering, B.; Knowlton, W. B.; Muellner, P.] Boise State Univ, Dept Mat Sci & Engn, Boise, ID 83725 USA.
[Kovarik, L.; Browning, N. D.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
[Pond, R. C.] Univ Exeter, Coll Engn Math & Phys Sci, Exeter EX4 4QF, Devon, England.
[Knowlton, W. B.] Boise State Univ, Dept Elect & Comp Engn, Boise, ID 83725 USA.
RP Muntifering, B (reprint author), Boise State Univ, Dept Mat Sci & Engn, Boise, ID 83725 USA.
EM brmunti@sandia.gov
RI Kovarik, Libor/L-7139-2016;
OI Browning, Nigel/0000-0003-0491-251X
FU National Science Foundation [DMR-1008167]; NSF MRI [0521315, 0619795];
DOE [DE-AC05-76RL01830]; Department of Energy's Office of Biological and
Environmental Research
FX We thank Nikki Kucza and Martika Flores-Ramos for assistance with the
growth of single crystals. We acknowledge partial financial support from
the National Science Foundation through grant DMR-1008167, and NSF MRI
awards 0521315 (TEM) and 0619795 (XRD). The research described in this
paper is part of the Chemical Imaging Initiative at Pacific Northwest
National Laboratory under Contract DE-AC05-76RL01830 operated for DOE by
Battelle. A portion of the research was performed using 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.
NR 24
TC 4
Z9 4
U1 5
U2 35
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 2016
VL 51
IS 1
BP 457
EP 466
DI 10.1007/s10853-015-9236-1
PG 10
WC Materials Science, Multidisciplinary
SC Materials Science
GA CV4GZ
UT WOS:000364226400034
ER
PT J
AU Janish, MT
Mackay, DT
Liu, Y
Jungjohann, KL
Carter, CB
Norton, MG
AF Janish, Matthew T.
Mackay, David T.
Liu, Yang
Jungjohann, Katherine L.
Carter, C. Barry
Norton, M. Grant
TI TEM in situ lithiation of tin nanoneedles for battery applications
SO JOURNAL OF MATERIALS SCIENCE
LA English
DT Article
ID LITHIUM-ION BATTERIES; TRANSMISSION ELECTRON-MICROSCOPY; ALLOY NEGATIVE
ELECTRODES; ELECTROCHEMICAL LITHIATION; SILICON NANOWIRES; FACILE
SYNTHESIS; CARBON-FIBER; SN ANODES; NANOPARTICLES; PERFORMANCE
AB Materials such as tin (Sn) and silicon that alloy with lithium (Li) have attracted renewed interest as anode materials in Li-ion batteries. Although their superior capacity to graphite and other intercalation materials has been known for decades, their mechanical instability due to extreme volume changes during cycling has traditionally limited their commercial viability. This limitation is changing as processes emerge that produce nanostructured electrodes. The nanostructures can accommodate the repeated expansion and contraction as Li is inserted and removed without failing mechanically. Recently, one such nano-manufacturing process, which is capable of depositing coatings of Sn "nanoneedles" at low temperature with no template and at industrial scales, has been described. The present work is concerned with observations of the lithiation and delithiation behavior of these Sn nanoneedles during in situ experiments in the transmission electron microscope, along with a brief review of how in situ TEM experiments have been used to study the lithiation of Li-alloying materials. Individual needles are successfully lithiated and delithiated in solid-state half-cells against a Li-metal counter-electrode. The microstructural evolution of the needles is discussed, including the transformation of one needle from single-crystal Sn to polycrystalline Sn-Li and back to single-crystal Sn.
C1 [Janish, Matthew T.; Carter, C. Barry] Univ Connecticut, Dept Mat Sci & Engn, Storrs, CT 06269 USA.
[Mackay, David T.; Norton, M. Grant] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA.
[Liu, Yang; Jungjohann, Katherine L.; Carter, C. Barry] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA.
[Carter, C. Barry] Univ Connecticut, Dept Chem & Biomol Engn, Storrs, CT 06269 USA.
[Carter, C. Barry] Univ Connecticut, Inst Mat Sci, Storrs, CT 06269 USA.
RP Janish, MT (reprint author), Univ Connecticut, Dept Mat Sci & Engn, 97 North Eagleville Rd,Unit 3136, Storrs, CT 06269 USA.
EM matthew.janish@uconn.edu
RI Janish, Matthew/M-8625-2016;
OI Carter, C Barry/0000-0003-4251-9102
FU DOE-BES; U.S. Department of Energy's National Nuclear Security
Administration [DEAC04-94AL85000]
FX This work was performed at Sandia National Laboratories at the Center
for Integrated Nanotechnologies, a DOE-BES supported national user
facility. Sandia National Laboratories is a multiprogram laboratory
managed and operated by Sandia Corporation, a Lockheed Martin
Corporation, for the U.S. Department of Energy's National Nuclear
Security Administration under contract DEAC04-94AL85000.
NR 65
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Z9 2
U1 20
U2 126
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 2016
VL 51
IS 1
BP 589
EP 602
DI 10.1007/s10853-015-9318-0
PG 14
WC Materials Science, Multidisciplinary
SC Materials Science
GA CV4GZ
UT WOS:000364226400044
ER
PT J
AU Carlton, HD
Elmer, JW
Freeman, DC
Schaeffer, RD
Derkach, O
Gallegos, GF
AF Carlton, Holly D.
Elmer, John W.
Freeman, Dennis C.
Schaeffer, Ronald D.
Derkach, Oleg
Gallegos, Gilbert F.
TI Laser notching ceramics for reliable fracture toughness testing
SO JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
LA English
DT Article
DE Ceramics; Fracture toughness; Laser notching; Single-edge-V notch beam;
Alumina
ID ROOT RADIUS; ALUMINA
AB A new method for notching ceramics was developed using a picosecond laser for fracture toughness testing of alumina samples. The test geometry incorporated a single-edge-V-notch that was notched using picosecond laser micromachining. This method has been used in the past for cutting ceramics, and is known to remove material with little to no thermal effect on the surrounding material matrix. This study showed that laser-assisted-machining for fracture toughness testing of ceramics was reliable, quick, and cost effective. In order to assess the laser notched single-edge-V-notch beam method, fracture toughness results were compared to results from other more traditional methods, specifically surface-crack in flexure and the chevron notch bend tests. The results showed that picosecond laser notching produced precise notches in post-failure measurements, and that the measured fracture toughness results showed improved consistency compared to traditional fracture toughness methods. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Carlton, Holly D.; Elmer, John W.; Freeman, Dennis C.; Gallegos, Gilbert F.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Schaeffer, Ronald D.; Derkach, Oleg] Photomachining Inc, Pelham, NH 03076 USA.
RP Carlton, HD (reprint author), 7000 East Ave, Livermore, CA 94550 USA.
EM carlton4@llnl.gov
FU U.S. Department of Energy [DE-AC52-07NA27344]; Office of Science, Office
of Basic Energy Sciences, of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX The authors would like to acknowledge James Embree for his work
machining the specimens and fabricating the test fixtures. 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 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 26
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U1 3
U2 13
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0955-2219
EI 1873-619X
J9 J EUR CERAM SOC
JI J. Eur. Ceram. Soc.
PD JAN
PY 2016
VL 36
IS 1
BP 227
EP 234
DI 10.1016/j.jeurceramsoc.2015.08.021
PG 8
WC Materials Science, Ceramics
SC Materials Science
GA CV4RR
UT WOS:000364254700025
ER
PT J
AU Royer, MP
AF Royer, Michael P.
TI IES TM-30-15 Is Approved-Now What? Moving Forward with New Color
Rendition Measures
SO LEUKOS
LA English
DT Editorial Material
ID LIGHT-SOURCES
C1 Pacific NW Natl Lab, Portland, OR 97204 USA.
RP Royer, MP (reprint author), Pacific NW Natl Lab, 620 SW 5th Ave,Suite 810, Portland, OR 97204 USA.
EM michael.royer@pnnl.gov
NR 11
TC 1
Z9 1
U1 0
U2 1
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 1550-2724
EI 1550-2716
J9 LEUKOS
JI Leukos
PY 2016
VL 12
IS 1-2
SI SI
BP 3
EP 5
DI 10.1080/15502724.2015.1092752
PG 3
WC Construction & Building Technology; Optics
SC Construction & Building Technology; Optics
GA CV4AD
UT WOS:000364206900002
ER
PT J
AU Yan, S
Liu, YY
Liu, CX
Shi, L
Shang, JY
Shan, HM
Zachara, J
Fredrickson, J
Kennedy, D
Resch, CT
Thompson, C
Fansler, S
AF Yan, Sen
Liu, Yuanyuan
Liu, Chongxuan
Shi, Liang
Shang, Jianying
Shan, Huimei
Zachara, John
Fredrickson, Jim
Kennedy, David
Resch, Charles T.
Thompson, Christopher
Fansler, Sarah
TI Nitrate bioreduction in redox-variable low permeability sediments
SO SCIENCE OF THE TOTAL ENVIRONMENT
LA English
DT Article
DE Nitrate bioreduction; Low permeability zone; Subsurface redox
transitional sediments; Nitrous oxide; Organic carbon speciation;
Kinetic model
ID NITROUS-OXIDE PRODUCTION; HANFORD SITE; CONTAMINATED AQUIFERS;
SUBSURFACE SEDIMENT; 300 AREA; DENITRIFICATION; REDUCTION; EMISSIONS;
MODEL; NITRIFICATION
AB Low permeability zone (LPZ) can play an important role as a sink or secondary source in contaminant transport in groundwater system. This study investigated the rate and end product of nitrate bioreduction in LPZ sediments. The sediments were from the U.S. Department of Energy's Hanford Site, where nitrate is a groundwater contaminant as a by-product of radionuclide waste discharges. The LPZ at the Hanford site consists of two layers with an oxidized layer on top and reduced layer below. The oxidized layer is directly in contact with the overlying contaminated aquifer, while the reduced layer is in contact with an uncontaminated aquifer below. The experimental results showed that nitrate bioreduction rate and end-product differed significantly in the sediments. The bioreduction rate in the oxidized sediment was significantly faster than that in the reduced one. A significant amount of N2O was accumulated in the reduced sediment; while in the oxidized sediment, N2O was further reduced to N-2. RT-PCR analysis revealed that nosZ, the gene that codes for N2O reductase, was below detection limit in the reduced sediment. Batch experiments and kinetic modeling were performed to provide insights into the role of organic carbon bioavailability, biomass growth, and competition between nitrate and its reducing products for electrons from electron donors. The results revealed that it is important to consider sediment redox conditions and functional genes in understanding and modeling nitrate bioreduction in subsurface sediments.
C1 [Yan, Sen; Liu, Chongxuan; Shan, Huimei] China Univ Geosci, Wuhan 430074, Peoples R China.
[Yan, Sen; Liu, Yuanyuan; Liu, Chongxuan; Shi, Liang; Shang, Jianying; Shan, Huimei; Zachara, John; Fredrickson, Jim; Kennedy, David; Resch, Charles T.; Thompson, Christopher; Fansler, Sarah] Pacific NW Natl Lab, Richland, WA 99354 USA.
RP Liu, CX (reprint author), Pacific NW Natl Lab, POB 999,MSIN K8-96, Richland, WA 99354 USA.
EM chongxuan.liu@pnnl.gov
RI Liu, Yuanyuan/L-1369-2016; Liu, Chongxuan/C-5580-2009;
OI Liu, Yuanyuan/0000-0001-6076-9733; Kennedy, David/0000-0003-0763-501X
FU U.S. DOE, Office of Biological and Environmental Research (BER) as part
of the Subsurface Biogeochemical Research (SBR) Program through Pacific
Northwest National Laboratory (PNNL) SBR Science Focus Area Research
Project; DOE's Office of BER and located at PNNL; DOE by Battelle
Memorial Institute [DE-AC05-76RL01830]; China Scholarship Council
FX This research is supported by the U.S. DOE, Office of Biological and
Environmental Research (BER) as part of the Subsurface Biogeochemical
Research (SBR) Program through the Pacific Northwest National Laboratory
(PNNL) SBR Science Focus Area Research Project. Part of this research
was performed in the Environmental Molecular Science Laboratory, a user
facility sponsored by the DOE's Office of BER and located at PNNL. PNNL
is operated for DOE by Battelle Memorial Institute under contract
DE-AC05-76RL01830. S. Y. would like to acknowledge the fellowship from
the China Scholarship Council. We also thank the anonymous reviewers for
their careful reading and constructive comments.
NR 56
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U1 18
U2 58
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 2016
VL 539
BP 185
EP 195
DI 10.1016/j.scitotenv.2015.08.122
PG 11
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA CV4PA
UT WOS:000364247800020
PM 26363392
ER
PT J
AU Phuoc, TX
Wang, P
McIntyre, D
AF Phuoc, Tran X.
Wang, Ping
McIntyre, Dustin
TI Detection of rare earth elements in Powder River Basin sub-bituminous
coal ash using laser-induced breakdown spectroscopy (LIBS)
SO FUEL
LA English
DT Article
DE Rare earth elements; LIBS; Coal ash
ID FLY ASHES
AB We reported our preliminary results on the use of laser-induced breakdown spectroscopy to analyze the rare earth elements contained in ash samples from Powder River Basin sub-bituminous coal (PRB-coal). We have identified many elements in the lanthanide series (cerium, europium, holmium, lanthanum, lutetium, praseodymium, promethium, samarium, terbium, ytterbium) and some elements in the actinide series (actinium, thorium, uranium, plutonium, berkelium, californium) in the ash samples. In addition, various metals were also seen to present in the ash samples. Published by Elsevier Ltd.
C1 [Phuoc, Tran X.; Wang, Ping; McIntyre, Dustin] Natl Energy Technol Lab, Dept Energy, Pittsburgh, PA 15236 USA.
RP Phuoc, TX (reprint author), Natl Energy Technol Lab, Dept Energy, POB 10940,MS 84-340, Pittsburgh, PA 15236 USA.
EM tran@netl.doe.gov
NR 15
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U1 7
U2 61
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0016-2361
EI 1873-7153
J9 FUEL
JI Fuel
PD JAN 1
PY 2016
VL 163
BP 129
EP 132
DI 10.1016/j.fuel.2015.09.034
PG 4
WC Energy & Fuels; Engineering, Chemical
SC Energy & Fuels; Engineering
GA CU4CV
UT WOS:000363475000016
ER
EF