FN Thomson Reuters Web of Science™
VR 1.0
PT J
AU Christ, JM
Neyerlin, KC
Wang, HL
Richards, R
Dinh, HN
AF Christ, Jason M.
Neyerlin, K. C.
Wang, Heli
Richards, Ryan
Dinh, Huyen N.
TI Impact of Polymer Electrolyte Membrane Degradation Products on Oxygen
Reduction Reaction Activity for Platinum Electrocatalysts
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID SINGLE-CRYSTAL ELECTRODES; SELF-ASSEMBLED MONOLAYERS; PEM FUEL-CELL;
CHAIN-LENGTH; ADSORPTION; CONTAMINATION; DURABILITY; ACID; PERFORMANCE;
EXCHANGE
AB The impact of model membrane degradation compounds on the relevant electrochemical parameters for the oxygen reduction reaction (i.e. electrochemical surface area and catalytic activity), was studied for both polycrystalline Pt and carbon supported Pt electrocatalysts. Model compounds, representing previously published, experimentally determined polymer electrolyte membrane degradation products, were in the form of perfluorinated organic acids that contained combinations of carboxylic and/or sulfonic acid functionality. Perfluorinated carboxylic acids of carbon chain length C1-C6 were found to have an impact on electrochemical surface area (ECA). The longest chain length acid also hindered the observed oxygen reduction reaction (ORR) performance, resulting in a 17% loss in kinetic current (determined at 0.9 V). Model compounds containing sulfonic acid functional groups alone did not show an effect on Pt ECA or ORR activity. Greater than a 44% loss in ORR activity at 0.9V was observed for diacid model compounds DA-Naf (perfluoro(2-methyl-3-oxa-5-sulfonic pentanoic) acid) and DA-3M (perfluoro(4-sulfonic butanoic) acid), which contained both sulfonic and carboxylic acid functionalities. (C) The Author(s) 2014. Published by ECS. All rights reserved.
C1 [Christ, Jason M.; Richards, Ryan] Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA.
[Neyerlin, K. C.; Wang, Heli; Dinh, Huyen N.] Natl Renewable Energy Lab, Chem Mat & Sci Ctr, Golden, CO 80401 USA.
RP Christ, JM (reprint author), Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA.
EM huyen.dinh@nrel.gov
RI Richards, Ryan/B-3513-2008
FU U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy (EERE), Fuel Cell Technologies Office [ZGB-0-4-647-1]
FX We gratefully acknowledge funding from the U.S. Department of Energy,
Office of Energy Efficiency and Renewable Energy (EERE), Fuel Cell
Technologies Office, contract ZGB-0-4-647-1. The authors would also like
to thank collaborators at 3M for providing materials and helpful
discussions for this study.
NR 57
TC 3
Z9 3
U1 2
U2 14
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 2014
VL 161
IS 14
BP F1481
EP F1488
DI 10.1149/2.0921414jes
PG 8
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AW0IO
UT WOS:000345975500100
ER
PT J
AU Christ, JM
Neyerlin, KC
Richards, R
Dinh, HN
AF Christ, Jason M.
Neyerlin, K. C.
Richards, Ryan
Dinh, Huyen N.
TI Concentration Effects of Polymer Electrolyte Membrane Degradation
Products on Oxygen Reduction Activity for Three Platinum Catalysts
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID OXIDE THIN-FILMS; PEM FUEL-CELLS; DIMETHYL ETHER; ADSORPTION;
ELECTROOXIDATION; PT(111); ACETATE; ETHANOL; CONTAMINATION; PERFORMANCE
AB A rotating disk electrode (RDE) along with cyclic voltammetry (CV) and linear sweep voltammetry (LSV), were used to investigate the impact of two model compounds representing degradation products of Nafion and 3M perfluorinated sulfonic acid membranes on the electrochemical surface area (ECA) and oxygen reduction reaction (ORR) activity of polycrystalline Pt, nano-structured thin film (NSTF) Pt (3M), and Pt/Vulcan carbon (Pt/Vu) (TKK) electrodes. ORR kinetic currents (measured at 0.9 V and transport corrected) were found to decrease linearly with the log of concentration for both model compounds on all Pt surfaces studied. Model compound adsorption effects on ECA were more abstruse due to competitive organic anion adsorption on Pt surfaces superimposing with the hydrogen underpotential deposition (HUPD) region. (C) The Author(s) 2014. Published by ECS. All rights reserved.
C1 [Christ, Jason M.; Richards, Ryan] Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA.
[Neyerlin, K. C.; Dinh, Huyen N.] Natl Renewable Energy Lab, Chem Mat & Sci Ctr, Golden, CO 80401 USA.
RP Christ, JM (reprint author), Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA.
EM huyen.dinh@nrel.gov
RI Richards, Ryan/B-3513-2008
FU U.S. Department of Energy Office of Energy Efficiency and Renewable
Energy (EERE), Fuel Cell Technologies Office [ZGB-0-4-647-1]
FX We gratefully acknowledge funding from the U.S. Department of Energy
Office of Energy Efficiency and Renewable Energy (EERE), Fuel Cell
Technologies Office, contract ZGB-0-4-647-1. The authors would also like
to thank collaborators at 3M, who provided materials and helpful
discussions for this study.
NR 33
TC 3
Z9 3
U1 3
U2 14
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 2014
VL 161
IS 14
BP F1360
EP F1365
DI 10.1149/2.0401414jes
PG 6
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AW0IO
UT WOS:000345975500086
ER
PT J
AU Martinez, U
Rojas-Carbonell, S
Halevi, B
Artyushkova, K
Kiefer, B
Sakamoto, T
Asazawa, K
Tanaka, H
Datye, A
Atanassov, P
AF Martinez, Ulises
Rojas-Carbonell, Santiago
Halevi, Barr
Artyushkova, Kateryna
Kiefer, Boris
Sakamoto, Tomokazu
Asazawa, Koichiro
Tanaka, Hirohisa
Datye, Abhaya
Atanassov, Plamen
TI Ni-La Electrocatalysts for Direct Hydrazine Alkaline Anion-Exchange
Membrane Fuel Cells
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID RAY PHOTOELECTRON-SPECTROSCOPY; AUGMENTED-WAVE METHOD; ULTRASOFT
PSEUDOPOTENTIALS; OXIDATION REACTION; TRANSITION-METALS;
ELECTROOXIDATION; CATALYSTS; OXIDE; ELECTRODES; LANTHANUM
AB Ni-La electrocatalytic systems have been synthesized via spray pyrolysis and studied for the electrooxidation of hydrazine hydrate in alkaline media. Characterization of phase compositions, crystal structures, morphologies, and surface compositions of the electrocatalysts performed via XRD, SEM, HRTEM, and XPS in combination with in situ IRRAS spectroelectrochemistry permitted the further understanding of the high electrochemical activity obtained from Ni-La (lanthanum hydroxide) catalytic systems. Ni0.90La0.10 and Ni0.95La0.05 have been identified as highly active electrocatalysts for the oxidation of hydrazine hydrate demonstrating to be promising candidates as anodes in direct hydrazine alkaline anion-exchange membrane fuel cells (DHAFC). (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Martinez, Ulises; Rojas-Carbonell, Santiago; Halevi, Barr; Datye, Abhaya; Atanassov, Plamen] Univ New Mexico, UNM Ctr Emerging Energy Technol, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA.
[Artyushkova, Kateryna; Kiefer, Boris] New Mexico State Univ, Dept Phys, Las Cruces, NM 88003 USA.
[Sakamoto, Tomokazu; Asazawa, Koichiro; Tanaka, Hirohisa] Daihatsu Motor Co Ltd, Frontier Technol R&D Div, Gamo, Shiga 5202593, Japan.
RP Martinez, U (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87545 USA.
EM plamen@unm.edu
RI Artyushkova, Kateryna/B-4709-2008
OI Artyushkova, Kateryna/0000-0002-2611-0422
FU Daihatsu Motor Co.; National Science Foundation Graduate Research
Fellowship [DGE-0903444]
FX B.K. participated in this work being on sabbatical leave at UNM
supported by the Center for Emerging Energy Technologies. The
instruments for characterization were part of the UNM Center for
Micro-Engineered Materials. This material is based upon work supported
by a grant from Daihatsu Motor Co. U.M. was funded by the National
Science Foundation Graduate Research Fellowship under Grant No.
DGE-0903444.
NR 52
TC 2
Z9 2
U1 2
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 2014
VL 161
IS 13
BP H3106
EP H3112
DI 10.1149/2.0191413jes
PG 7
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AW0HN
UT WOS:000345972200020
ER
PT S
AU Gherasoiu, I
Yu, KM
Reichertz, LA
Walukiewicz, W
AF Gherasoiu, Iulian
Yu, Kin Man
Reichertz, Lothar A.
Walukiewicz, Wladek
BE Eddy, CR
Kuball, M
Koleske, DD
Amano, H
TI InGaN doping for high carrier concentration in plasma-assisted molecular
beam epitaxy
SO PHYSICA STATUS SOLIDI C: CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 11,
NO 3-4
SE Physica Status Solidi C-Current Topics in Solid State Physics
LA English
DT Proceedings Paper
CT 10th International Conference on Nitride Semiconductors (ICNS)
CY AUG 25-30, 2013
CL Washington, DC
SP Off Naval Res, Army Res Off, Sandia Natl Lab, Natl Sci Fdn, Zeiss, Nichia, Laytec, Nitride Semicond Fdn Japan, Aixtron, Osram, Plasma Therm, Crystal IS, Dow Elect Mat
DE InGaN; GaN; doping; LED
ID SILICON; GROWTH
AB Magnesium is the only known effective p-type dopant for nitride semiconductors. Although the p-doping is challenging for AlN and GaN, requiring the activation of the Mg acceptors, in the case of the MOCVD growth, methods for obtaining reliable and high level doping have been developed. Similarly for n-type doping silicon has been used successfully for more than a decade. More recently germanium has been found to be as effective for n-type doping, with the additional advantage of inducing less strain in the host lattice due its size similarity to gallium. Doping of InGaN is more challenging due the difficulty in controlling the donor background associated with material extended defects and the incorporation of impurities. Although successful p-type doping of InGaN with Mg has been demonstrated, quantitative limits for the magnesium incorporation and its behavior have not been analyzed. In this paper we investigate both, Mg and Ge doping of InGaN. We also discuss the challenges posed by the growth and measurement of the InGaN pnjunctions characteristics as well as we demonstrate the fabrication of large area long wavelength LEDs on silicon (111) by PA-MBE. (C) 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
C1 [Gherasoiu, Iulian; Reichertz, Lothar A.; Walukiewicz, Wladek] RoseSt Labs Energy, Phoenix, AZ 85034 USA.
[Yu, Kin Man; Reichertz, Lothar A.; Walukiewicz, Wladek] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA USA.
[Gherasoiu, Iulian] Element Blue Technol, Phoenix, AZ USA.
RP Gherasoiu, I (reprint author), RoseSt Labs Energy, Phoenix, AZ 85034 USA.
EM igherasoiu@elementbluetech.com; kmyu@lbl.gov
OI Yu, Kin Man/0000-0003-1350-9642
FU RoseStreet Energy Laboratory [LB07003462]; U.S. DOD/DARPA
[W91CRB-11-C-0012]
FX This work was supported by RoseStreet Energy Laboratory, Contract
LB07003462 and U.S. DOD/DARPA under contract W91CRB-11-C-0012.
NR 11
TC 6
Z9 6
U1 2
U2 7
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA PAPPELALLEE 3, W-69469 WEINHEIM, GERMANY
SN 1862-6351
J9 PHYS STATUS SOLIDI C
PY 2014
VL 11
IS 3-4
BP 381
EP 384
DI 10.1002/pssc.201300460
PG 4
WC Nanoscience & Nanotechnology; Physics, Applied; Physics, Condensed
Matter
SC Science & Technology - Other Topics; Physics
GA BB7WP
UT WOS:000346071300003
ER
PT S
AU Williamson, TL
Weisse-Bernstein, NR
Hoffbauer, MA
AF Williamson, Todd L.
Weisse-Bernstein, Nina R.
Hoffbauer, Mark A.
BE Eddy, CR
Kuball, M
Koleske, DD
Amano, H
TI Growth of ternary wurtzite BAlN and BGaN by ENABLE-MBE
SO PHYSICA STATUS SOLIDI C: CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 11,
NO 3-4
SE Physica Status Solidi C-Current Topics in Solid State Physics
LA English
DT Proceedings Paper
CT 10th International Conference on Nitride Semiconductors (ICNS)
CY AUG 25-30, 2013
CL Washington, DC
SP Off Naval Res, Army Res Off, Sandia Natl Lab, Natl Sci Fdn, Zeiss, Nichia, Laytec, Nitride Semicond Fdn Japan, Aixtron, Osram, Plasma Therm, Crystal IS, Dow Elect Mat
DE molecular beam epitaxy; group III-nitrides; ENABLE
ID CUBIC BORON-NITRIDE; VAPOR-DEPOSITION; FILMS; EPITAXY
AB The synthesis of dilute B content BAlN and BGaN has been performed by an advanced MBE technique called ENABLE. ENABLE is a direct chemical activation approach to film growth which uses an energetic beam of neutral N atoms to activate nitride thin film growth. Using the ENABLE-MBE technology, up to 3.1% and 3.5% B has been incorporated in BAlN and BGaN, respectively. XRD scans indicate that the films are single phase and the crystalline quality is high. It has been shown in BAlN that a lower substrate temperature during growth leads to higher level of incorporation of B, with all other parameters held constant. Electrical measurements of BAlN shows reasonable breakdown voltage (similar to 25 V/mu m) and leakage current (-9 nA at -20 V bias). (C) 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
C1 [Williamson, Todd L.; Hoffbauer, Mark A.] Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA.
[Weisse-Bernstein, Nina R.] Alamos Natl Lab, Intelligence & Space Res Div, Los Alamos, NM 87545 USA.
RP Williamson, TL (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA.
EM twilliamson@lanl.gov
FU Office of Defense Nuclear Nonproliferation Research and Developmentin
the National Nuclear Security Administration, US Department of Energy;
U.S. Department of Energy ( DOE) Office of Science; National Nuclear
Security Administration of the U.S. Department of Energy
[DE-AC52-06NA25396]
FX The material described in this publication is supported by the Office of
Defense Nuclear Nonproliferation Research and Developmentin the National
Nuclear Security Administration, US Department of Energy. 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 21
TC 1
Z9 1
U1 4
U2 31
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA PAPPELALLEE 3, W-69469 WEINHEIM, GERMANY
SN 1862-6351
J9 PHYS STATUS SOLIDI C
PY 2014
VL 11
IS 3-4
BP 462
EP 465
DI 10.1002/pssc.201300741
PG 4
WC Nanoscience & Nanotechnology; Physics, Applied; Physics, Condensed
Matter
SC Science & Technology - Other Topics; Physics
GA BB7WP
UT WOS:000346071300023
ER
PT S
AU Hossain, T
Weil, D
Nepal, N
Garces, NY
Hite, JK
Meyer, HM
Eddy, CR
Baker, T
Mayo, A
Schmitt, J
Edgar, JH
AF Hossain, T.
Weil, D.
Nepal, N.
Garces, N. Y.
Hite, J. K.
Meyer, H. M., III
Eddy, C. R., Jr.
Baker, Troy
Mayo, Ashley
Schmitt, Jason
Edgar, J. H.
BE Eddy, CR
Kuball, M
Koleske, DD
Amano, H
TI Insulating gallium oxide layer produced by thermal oxidation of
gallium-polar GaN
SO PHYSICA STATUS SOLIDI C: CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 11,
NO 3-4
SE Physica Status Solidi C-Current Topics in Solid State Physics
LA English
DT Proceedings Paper
CT 10th International Conference on Nitride Semiconductors (ICNS)
CY AUG 25-30, 2013
CL Washington, DC
SP Off Naval Res, Army Res Off, Sandia Natl Lab, Natl Sci Fdn, Zeiss, Nichia, Laytec, Nitride Semicond Fdn Japan, Aixtron, Osram, Plasma Therm, Crystal IS, Dow Elect Mat
DE GaN; thermal oxidation; gallium oxide; characterization
ID SEMICONDUCTOR; CAPACITORS; NITRIDE; FILM
AB The benefits of dry oxidation of n-GaN for the fabrication of metal-oxide-semiconductor structures are reported. GaN thin films grown on sapphire by MOCVD were thermally oxidized for 30, 45 and 60 minutes in a pure oxygen atmosphere at 850 degrees C to produce thin, smooth GaOx layers. The GaN sample oxidized for 30 minutes had the best properties. Its surface roughness (0.595 nm) as measured by atomic force microscopy (AFM) was the lowest. Capacitance-voltage measurements showed it had the best saturation in accumulation region and the sharpest transition from accumulation to depletion regions. Under gate voltage sweep, capacitance-voltage hysteresis was completely absent. The interface trap density was minimum (D-it = 2.75x10(10) cm(-2)eV(-1)) for sample oxidized for 30 mins. These results demonstrate a high quality GaOx layer is beneficial for GaN MOSFETs. (C) 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
C1 [Hossain, T.; Weil, D.; Edgar, J. H.] Kansas State Univ, Dept Chem Engn, Manhattan, KS 66506 USA.
[Nepal, N.; Garces, N. Y.; Hite, J. K.; Eddy, C. R., Jr.] US Naval Res Lab, Elect Sci & Technol Div, Washington, DC 20375 USA.
[Meyer, H. M., III] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Baker, Troy; Mayo, Ashley; Schmitt, Jason] Nitride Solut, Wichita, KS 67213 USA.
RP Hossain, T (reprint author), Kansas State Univ, Dept Chem Engn, Durland Hall, Manhattan, KS 66506 USA.
EM tashvan27@gmail.com
RI Hite, Jennifer/L-5637-2015; Hossain, Md Tashfin/P-2312-2014
OI Hite, Jennifer/0000-0002-4090-0826; Hossain, Md
Tashfin/0000-0001-9030-0901
NR 16
TC 5
Z9 5
U1 1
U2 13
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA PAPPELALLEE 3, W-69469 WEINHEIM, GERMANY
SN 1862-6351
J9 PHYS STATUS SOLIDI C
PY 2014
VL 11
IS 3-4
BP 565
EP 568
DI 10.1002/pssc.201300659
PG 4
WC Nanoscience & Nanotechnology; Physics, Applied; Physics, Condensed
Matter
SC Science & Technology - Other Topics; Physics
GA BB7WP
UT WOS:000346071300049
ER
PT S
AU Zvanut, ME
Willoughby, WR
Sunay, UR
Koleske, DD
Allerman, AA
Wang, K
Araki, T
Nanishi, Y
AF Zvanut, M. E.
Willoughby, W. R.
Sunay, U. R.
Koleske, D. D.
Allerman, A. A.
Wang, Ke
Araki, Tsutomu
Nanishi, Yasushi
BE Eddy, CR
Kuball, M
Koleske, DD
Amano, H
TI The effect of growth parameters on the Mg acceptor in InxGa1-xN:Mg and
AlxGa1-xN:Mg
SO PHYSICA STATUS SOLIDI C: CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 11,
NO 3-4
SE Physica Status Solidi C-Current Topics in Solid State Physics
LA English
DT Proceedings Paper
CT 10th International Conference on Nitride Semiconductors (ICNS)
CY AUG 25-30, 2013
CL Washington, DC
SP Off Naval Res, Army Res Off, Sandia Natl Lab, Natl Sci Fdn, Zeiss, Nichia, Laytec, Nitride Semicond Fdn Japan, Aixtron, Osram, Plasma Therm, Crystal IS, Dow Elect Mat
DE InGaN; AlGaN; Mg; EPR
ID MECHANISM
AB InxGa1-xN and AlxGa1-xN alloys are used in many optoelectronic applications due to their tunable band gap, but p-type doping remains a challenge. To better understand the Mg acceptor in nitride alloys, we investigate the effects of In or Al mole fraction, growth temperature and sample thickness on the amount of un-ionized (neutral) Mg using electron paramagnetic resonance (EPR) spectroscopy. The results show that neither temperature nor thickness effects the concentration of the neutral Mg-related acceptor defects; however, the mole fraction of metal, In or Al, alters the behavior of the dopant. For InxGa1-xN, a broadening of the EPR linewidth is shown to be directly related to the presence of a nearby In and is consistent with a lowering of the acceptor level. Incorporation of Al into GaN, on the other hand, produces a systematic decrease in the concentration of neutral Mgrelated acceptors as the amount of Al increases. Earlier studies indicate that the reduction is caused by incomplete hydrogen removal from the acceptor impurity. (C) 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
C1 [Zvanut, M. E.; Willoughby, W. R.; Sunay, U. R.] Univ Alabama Birmingham, Dept Phys, Birmingham, AL 35294 USA.
[Koleske, D. D.; Allerman, A. A.] Sandia Natl Labs, Albuquerque, NM USA.
[Wang, Ke; Araki, Tsutomu; Nanishi, Yasushi] Ritsumeikan Univ, Dept Photon, Shiga, Japan.
[Nanishi, Yasushi] Seoul Natl Univ, Dept Mat Sci & Engn, WCU Program, Seoul, South Korea.
RP Zvanut, ME (reprint author), Univ Alabama Birmingham, Dept Phys, Birmingham, AL 35294 USA.
EM mezvanut@uab.edu
FU National Science Foundation [DMR-1006163]; U. S. Department of Energy's
National Nuclear Security Administration [DE-AC0494AL85000]
FX The work at UAB is supported by the National Science Foundation,
DMR-1006163. Sandia National Laboratories is a multi- program laboratory
managed and 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-AC0494AL85000.
NR 8
TC 3
Z9 3
U1 5
U2 12
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA PAPPELALLEE 3, W-69469 WEINHEIM, GERMANY
SN 1862-6351
J9 PHYS STATUS SOLIDI C
PY 2014
VL 11
IS 3-4
BP 594
EP 597
DI 10.1002/pssc.201300515
PG 4
WC Nanoscience & Nanotechnology; Physics, Applied; Physics, Condensed
Matter
SC Science & Technology - Other Topics; Physics
GA BB7WP
UT WOS:000346071300056
ER
PT S
AU Padalkar, S
Riley, JR
Li, QM
Wang, GT
Lauhon, LJ
AF Padalkar, Sonal
Riley, James R.
Li, Qiming
Wang, George T.
Lauhon, Lincoln J.
BE Eddy, CR
Kuball, M
Koleske, DD
Amano, H
TI Lift-out procedures for atom probe tomography targeting nanoscale
features in core-shell nanowire heterostructures
SO PHYSICA STATUS SOLIDI C: CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 11,
NO 3-4
SE Physica Status Solidi C-Current Topics in Solid State Physics
LA English
DT Proceedings Paper
CT 10th International Conference on Nitride Semiconductors (ICNS)
CY AUG 25-30, 2013
CL Washington, DC
SP Off Naval Res, Army Res Off, Sandia Natl Lab, Natl Sci Fdn, Zeiss, Nichia, Laytec, Nitride Semicond Fdn Japan, Aixtron, Osram, Plasma Therm, Crystal IS, Dow Elect Mat
DE atom probe tomography; nanowire; GaN; FIB; micromanipulator
ID LIGHT-EMITTING-DIODES; SPECIMEN PREPARATION METHODS; QUANTUM-WELLS; GAN;
ARRAYS; LASERS; FIB
AB Focused ion beam (FIB) milling and lift-out was used to prepare atom probe tomography (APT) specimens from GaN-InGaN multi-quantum well (MQW) nanowire arrays. Modifications to the conventional FIB lift-out technique enable the site-specific analysis of different regions of a single nanowire heterostructure. Three dimensional (3-D) reconstructions of quantum wells generated by analysis along different directions with respect to the heterointerface demonstrate both the capabilities and limitations of atom probe tomographic analysis. The methods described herein can be applied to the site-specific analysis of other complex 3-D heterostructures. (C) 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
C1 [Padalkar, Sonal; Riley, James R.; Lauhon, Lincoln J.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA.
[Li, Qiming; Wang, George T.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Lauhon, LJ (reprint author), Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA.
EM lauhon@northwestern.edu
RI Lauhon, Lincoln/H-2976-2015
OI Lauhon, Lincoln/0000-0001-6046-3304
FU Energy Frontier Research Center on Solid State Lighting Science - U. S.
DOE Office of Basic Energy Sciences; National Defensive Science and
Engineering Graduate Fellowship program; NSF-MRI [DMR- 0420532]; ONR-
DURIP [N00014-0400798, N00014-0610539, N000140910781]; Initiative for
Sustainability and Energy at Northwestern (ISEN); National Science
Foundation's MRSEC program [DMR-1121262]; U. S. Department of Energy's
National Nuclear Security Administration [DE- AC04-94AL85000]
FX Research was supported by the Energy Frontier Research Center on Solid
State Lighting Science, which is funded by the U. S. DOE Office of Basic
Energy Sciences. J. R. R. acknowledges partial support by the National
Defensive Science and Engineering Graduate Fellowship program. Atom-
probe tomography was performed at the Northwestern University Center for
Atom- Probe Tomography (NUCAPT) whose local electrode atom- probe (LEAP)
tomograph was purchased and upgraded with funding from NSF-MRI (DMR-
0420532) and ONR- DURIP (N00014- 0400798, N00014- 0610539,
N000140910781) grants. Instrumentation at NUCAPT was supported by the
Initiative for Sustainability and Energy at Northwestern (ISEN). NUCAPT
is a Shared Facility at the Materials Research Center of Northwestern
University, supported by the National Science Foundation's MRSEC program
(DMR-1121262). 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 43
TC 3
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U1 0
U2 10
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA PAPPELALLEE 3, W-69469 WEINHEIM, GERMANY
SN 1862-6351
J9 PHYS STATUS SOLIDI C
PY 2014
VL 11
IS 3-4
BP 656
EP 661
DI 10.1002/pssc.201300489
PG 6
WC Nanoscience & Nanotechnology; Physics, Applied; Physics, Condensed
Matter
SC Science & Technology - Other Topics; Physics
GA BB7WP
UT WOS:000346071300071
ER
PT S
AU Wierer, JJ
Tsao, JY
Sizov, DS
AF Wierer, Jonathan J., Jr.
Tsao, Jeffrey Y.
Sizov, Dmitry S.
BE Eddy, CR
Kuball, M
Koleske, DD
Amano, H
TI The potential of III-nitride laser diodes for solid-state lighting
SO PHYSICA STATUS SOLIDI C: CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 11,
NO 3-4
SE Physica Status Solidi C-Current Topics in Solid State Physics
LA English
DT Proceedings Paper
CT 10th International Conference on Nitride Semiconductors (ICNS)
CY AUG 25-30, 2013
CL Washington, DC
SP Off Naval Res, Army Res Off, Sandia Natl Lab, Natl Sci Fdn, Zeiss, Nichia, Laytec, Nitride Semicond Fdn Japan, Aixtron, Osram, Plasma Therm, Crystal IS, Dow Elect Mat
DE solid-state lighting; light-emitting diodes; laser diodes; III-nitride;
efficiency droop; phosphor-converted LEDs
ID EMITTING-DIODES; HIGH-POWER; DROOP
AB The potential of III-nitride based laser diodes (LDs) for solid-state lighting (SSL) is discussed. State-of-the-art blue LDs have higher efficiencies at high input power densities when compared to blue light-emitting diodes (LEDs). This is because the processes that cause the drop in efficiency at high currents for LEDs are not present in the LD operated under stimulated emission. Projections of efficiency improvement show blue LDs have the potential to be nearly as efficient as blue LEDs and provide similar lumen output at much higher input powers. This result provides the possibility that white sources created from blue LD pumped phosphors could someday become a competitive and viable SSL source.
[GRAPHICS]
(C) 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
C1 [Wierer, Jonathan J., Jr.; Tsao, Jeffrey Y.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
[Sizov, Dmitry S.] Corning Inc, One Sci Ctr Dr, Corning, NY 14831 USA.
RP Wierer, JJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM jwierer@sandia.gov
FU Sandia's Solid-State-Lighting Science Energy Frontier Research Center;
U. S. Department of Energy, Office of Basic Energy Sciences; U. S.
Department of Energy's National Nuclear Security Administration
[DE-C04-94AL85000]
FX We thank Oleg Shchekin at Philips Lumileds Lighting Corp. for providing
the Lumiramic phosphor plates. Work at Sandia National Laboratories was
supported by Sandia's Solid-State-Lighting Science Energy Frontier
Research Center, funded by the U. S. Department of Energy, Office of
Basic Energy Sciences. 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-C04-94AL85000.
NR 29
TC 14
Z9 14
U1 3
U2 21
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA PAPPELALLEE 3, W-69469 WEINHEIM, GERMANY
SN 1862-6351
J9 PHYS STATUS SOLIDI C
PY 2014
VL 11
IS 3-4
BP 674
EP 677
DI 10.1002/pssc.201300422
PG 4
WC Nanoscience & Nanotechnology; Physics, Applied; Physics, Condensed
Matter
SC Science & Technology - Other Topics; Physics
GA BB7WP
UT WOS:000346071300075
ER
PT S
AU Wei, D
Hossain, T
Nepal, N
Garces, NY
Hite, JK
Meyer, HM
Eddy, CR
Edgar, JH
AF Wei, D.
Hossain, T.
Nepal, N.
Garces, N. Y.
Hite, J. K.
Meyer, H. M., III
Eddy, C. R., Jr.
Edgar, J. H.
BE Eddy, CR
Kuball, M
Koleske, DD
Amano, H
TI Comparison of the physical, chemical and electrical properties of ALD
Al2O3 on c- and m-plane GaN
SO PHYSICA STATUS SOLIDI C: CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 11,
NO 3-4
SE Physica Status Solidi C-Current Topics in Solid State Physics
LA English
DT Proceedings Paper
CT 10th International Conference on Nitride Semiconductors (ICNS)
CY AUG 25-30, 2013
CL Washington, DC
SP Off Naval Res, Army Res Off, Sandia Natl Lab, Natl Sci Fdn, Zeiss, Nichia, Laytec, Nitride Semicond Fdn Japan, Aixtron, Osram, Plasma Therm, Crystal IS, Dow Elect Mat
DE ALD; dielectric; m-plane; GaN
AB This study compares the physical, chemical and electrical properties of Al2O3 thin films deposited on gallium polar c- and nonpolar m-plane GaN substrates by atomic layer deposition (ALD). Correlations were sought between the film's structure, composition, and electrical properties. The thickness of the Al2O3 films was 19.2 nm as determined from a Si witness sample by spectroscopic ellipsometry. The gate dielectric was slightly aluminum-rich (Al:O=1:1.3) as measured from X-ray photoelectron spectroscopy (XPS) depth profile, and the oxide-semiconductor interface carbon concentration was lower on c-plane GaN. The oxide's surface morphology was similar on both substrates, but was smoothest on c-plane GaN as determined by atomic force microscopy (AFM). Circular capacitors (50-300 mu m diameter) with Ni/Au (20/100 nm) metal contacts on top of the oxide were created by standard photolithography and e-beam evaporation methods to form metal-oxide-semiconductor capacitors (MOSCAPs). The alumina deposited on c-plane GaN showed less hysteresis (0.15 V) than on m-plane GaN (0.24 V) in capacitance-voltage (CV) characteristics, consistent with its better quality of this dielectric as evidenced by negligible carbon contamination and smooth oxide surface. These results demonstrate the promising potential of ALD Al2O3 on c-plane GaN, but further optimization of ALD is required to realize the best properties of Al2O3 on m-plane GaN. (C) 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
C1 [Wei, D.; Hossain, T.; Edgar, J. H.] Kansas State Univ, Dept Chem Engn, Manhattan, KS 66506 USA.
[Nepal, N.; Garces, N. Y.; Hite, J. K.; Eddy, C. R., Jr.] US Naval Res Lab, Elect Sci & Technol Div, Washington, DC 20375 USA.
[Meyer, H. M., III] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
RP Edgar, JH (reprint author), Kansas State Univ, Dept Chem Engn, Durland Hall, Manhattan, KS 66506 USA.
EM edgarjh@k-state.edu
RI Hite, Jennifer/L-5637-2015; Hossain, Md Tashfin/P-2312-2014
OI Hite, Jennifer/0000-0002-4090-0826; Hossain, Md
Tashfin/0000-0001-9030-0901
NR 14
TC 1
Z9 1
U1 1
U2 9
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA PAPPELALLEE 3, W-69469 WEINHEIM, GERMANY
SN 1862-6351
J9 PHYS STATUS SOLIDI C
PY 2014
VL 11
IS 3-4
BP 898
EP 901
DI 10.1002/pssc.201300677
PG 4
WC Nanoscience & Nanotechnology; Physics, Applied; Physics, Condensed
Matter
SC Science & Technology - Other Topics; Physics
GA BB7WP
UT WOS:000346071300131
ER
PT J
AU Greaves, M
AF Greaves, Mark
BE Smari, WW
Fox, GC
Nygard, M
TI Wikis, Semantics, and Collaboration Symposium on Collaboration Analysis
and Reasoning Systems, at the 2014 Conference on Collaboration
Technologies and Systems
SO PROCEEDINGS OF THE 2014 INTERNATIONAL CONFERENCE ON COLLABORATION
TECHNOLOGIES AND SYSTEMS (CTS)
LA English
DT Proceedings Paper
CT International Conference on Collaboration Technologies and Systems (CTS)
CY MAY 19-23, 2014
CL Minneapolis, MN
SP Intelligence Adv Res Projects Activ, Off Director Natl Intelligence, Honeywell Int Inc, Adventium Labs, Intelligent Automat Inc, Knowledge Based Syst Inc, LexisNexis Corp, Ball Aerosp & Technologies Corp, Intel Corp, MEI Res Ltd, Microsoft Res, Springer Verlag, IEEE
C1 Pacific NW Natl Lab, Natl Secur Directorate, Seattle, WA 98109 USA.
RP Greaves, M (reprint author), Pacific NW Natl Lab, Natl Secur Directorate, Seattle, WA 98109 USA.
EM mark.greaves@pnnl.gov
NR 4
TC 0
Z9 0
U1 0
U2 0
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
BN 978-1-4799-5158-1
PY 2014
BP 469
EP 471
PG 3
WC Computer Science, Hardware & Architecture; Computer Science, Information
Systems
SC Computer Science
GA BB7OI
UT WOS:000345833000072
ER
PT J
AU Scholtz, J
Endert, A
AF Scholtz, Jean
Endert, Alex
BE Smari, WW
Fox, GC
Nygard, M
TI User-Centered Design Guidelines for Collaborative Software for
Intelligence Analysis
SO PROCEEDINGS OF THE 2014 INTERNATIONAL CONFERENCE ON COLLABORATION
TECHNOLOGIES AND SYSTEMS (CTS)
LA English
DT Proceedings Paper
CT International Conference on Collaboration Technologies and Systems (CTS)
CY MAY 19-23, 2014
CL Minneapolis, MN
SP Intelligence Adv Res Projects Activ, Off Director Natl Intelligence, Honeywell Int Inc, Adventium Labs, Intelligent Automat Inc, Knowledge Based Syst Inc, LexisNexis Corp, Ball Aerosp & Technologies Corp, Intel Corp, MEI Res Ltd, Microsoft Res, Springer Verlag, IEEE
DE Intelligence community; collaboration; user-centered design; metrics;
evaluation
ID USABILITY
AB In this position paper we discuss the necessity of using User-Centered Design (UCD) methods in order to design collaborative software for the intelligence community. We discuss a number of studies of collaboration in the intelligence community and use this information to provide some guidelines for collaboration software.
C1 [Scholtz, Jean; Endert, Alex] Pacific NW Natl Lab, Natl Secur Div, Richland, WA 99352 USA.
RP Scholtz, J (reprint author), Pacific NW Natl Lab, Natl Secur Div, Richland, WA 99352 USA.
EM jean.scholtz@pnnl.gov; alex.endert@pnnl.gov
NR 19
TC 0
Z9 0
U1 1
U2 1
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
BN 978-1-4799-5158-1
PY 2014
BP 478
EP 482
PG 5
WC Computer Science, Hardware & Architecture; Computer Science, Information
Systems
SC Computer Science
GA BB7OI
UT WOS:000345833000075
ER
PT J
AU Devarakonda, R
Palanisamy, G
Pouchard, LC
Shrestha, B
AF Devarakonda, Ranjeet
Palanisamy, Giriprakash
Pouchard, Line C.
Shrestha, Biva
BE Smari, WW
Fox, GC
Nygard, M
TI Semantic Search Integration to Climate Data
SO PROCEEDINGS OF THE 2014 INTERNATIONAL CONFERENCE ON COLLABORATION
TECHNOLOGIES AND SYSTEMS (CTS)
LA English
DT Proceedings Paper
CT International Conference on Collaboration Technologies and Systems (CTS)
CY MAY 19-23, 2014
CL Minneapolis, MN
SP Intelligence Adv Res Projects Activ, Off Director Natl Intelligence, Honeywell Int Inc, Adventium Labs, Intelligent Automat Inc, Knowledge Based Syst Inc, LexisNexis Corp, Ball Aerosp & Technologies Corp, Intel Corp, MEI Res Ltd, Microsoft Res, Springer Verlag, IEEE
ID ACCESS; WEB
AB In this paper we present how research projects at Oak Ridge National Laboratory are using Semantic Search capabilities to help scientists perform their research. We will discuss how the Mercury metadata search system, with the help of the semantic search capability, is being used to find, retrieve, and link climate change data.
C1 [Devarakonda, Ranjeet; Palanisamy, Giriprakash; Pouchard, Line C.; Shrestha, Biva] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Devarakonda, R (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM devarakondar@ornl.gov; palanisamyg@ornl.gov; pouchardlc@ornl.gov;
shresthab@ornl.gov
RI Devarakonda, Ranjeet/E-5976-2016
OI Devarakonda, Ranjeet/0000-0003-2661-1937
NR 4
TC 0
Z9 0
U1 1
U2 2
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
BN 978-1-4799-5158-1
PY 2014
BP 635
EP 636
PG 2
WC Computer Science, Hardware & Architecture; Computer Science, Information
Systems
SC Computer Science
GA BB7OI
UT WOS:000345833000102
ER
PT S
AU Gallis, MA
Torczynski, JR
Plimpton, SJ
Rader, DJ
Koehler, T
AF Gallis, Michael A.
Torczynski, John R.
Plimpton, Steven J.
Rader, Daniel J.
Koehler, Timothy
BE Fan, J
TI Direct Simulation Monte Carlo: The Quest for Speed
SO PROCEEDINGS OF THE 29TH INTERNATIONAL SYMPOSIUM ON RAREFIED GAS DYNAMICS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 29th International Symposium on Rarefi ed Gas Dynamics (RGD)
CY JUL 13-18, 2014
CL Xian, PEOPLES R CHINA
SP Chinese Acad Sci, Inst Mech, Chinese Acad Sci, State Key Lab High temperature Gas Dynam, Minist Sci & Technol Peoples Republic China, Natl Nat Sci Fdn China, Chinese Soc Theoret & Appl Mech
DE DSMC; massively parallel computing
AB In the 50 years since its invention, the acceptance and applicability of the DSMC method have increased significantly. Extensive verification and validation efforts have led to its greater acceptance, whereas the increase in computer speed has been the main factor behind its greater applicability. As the performance of a single processor reaches its limit, massively parallel computing is expected to play an even stronger role in its future development.
C1 [Gallis, Michael A.; Torczynski, John R.; Rader, Daniel J.; Koehler, Timothy] Sandia Natl Labs, Engn Sci Ctr, Albuquerque, NM 87185 USA.
RP Gallis, MA (reprint author), Sandia Natl Labs, Engn Sci Ctr, POB 5800, Albuquerque, NM 87185 USA.
NR 26
TC 11
Z9 11
U1 0
U2 4
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1265-1
J9 AIP CONF PROC
PY 2014
VL 1628
BP 27
EP 36
DI 10.1063/1.4902571
PG 10
WC Physics, Applied
SC Physics
GA BB7XJ
UT WOS:000346083400003
ER
PT S
AU Young, DL
Nemeth, W
Grover, S
Norman, A
Yuan, HC
Lee, BG
LaSalvia, V
Stradins, P
AF Young, David L.
Nemeth, William
Grover, Sachit
Norman, Andrew
Yuan, Hao-Chih
Lee, Benjamin G.
LaSalvia, Vincenzo
Stradins, Paul
BE Weeber, A
Aberle, A
Brendel, R
Cuevas, A
Glunz, S
Hahn, G
Poortmans, J
Ribeyron, PJ
Sinton, R
TI Carrier selective, passivated contacts for high efficiency silicon solar
cells based on transparent conducting oxides
SO PROCEEDINGS OF THE 4TH INTERNATIONAL CONFERENCE ON CRYSTALLINE SILICON
PHOTOVOLTAICS (SILICONPV 2014)
SE Energy Procedia
LA English
DT Proceedings Paper
CT 4th International Conference on Crystalline Silicon Photovoltaics
(SiliconPV)
CY MAR 24-27, 2014
CL ECN, Hertogenbosch, NETHERLANDS
HO ECN
DE Silicon solar cells; passivated contacts; SiO2; ITO
AB We describe the design, fabrication and results of passivated contacts to n-type silicon utilizing thin SiO2 and transparent conducting oxide layers. High temperature silicon dioxide is grown on both surfaces of an n-type wafer to a thickness <50 angstrom, followed by deposition of tin-doped indium oxide (ITO) and a patterned metal contacting layer. As deposited, the thin-film stack has a very high J(0,contact), and a non-ohmic, high contact resistance. However, after a forming gas anneal, the passivation quality and the contact resistivity improve significantly. The contacts are characterized by measuring the recombination parameter of the contact (J(0,contact)) and the specific contact resistivity (rho(contact)) using a TLM pattern. The best ITO/SiO2 passivated contact in this study has J(0,contact) = 92.5 fA/cm(2) and rho(contact) = 11.5 mOhm-cm(2). These values are placed in context with other passivating contacts using an analysis that determines the ultimate efficiency and the optimal area fraction for contacts for a given set of (J(0,contact), rho(contact)) values. The ITO/SiO2 contacts are found to have a higher J(0,contact), but a similar rho(contact) compared to the best reported passivated contacts. (C) 2014 Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/).
C1 [Young, David L.; Nemeth, William; Grover, Sachit; Norman, Andrew; Yuan, Hao-Chih; Lee, Benjamin G.; LaSalvia, Vincenzo; Stradins, Paul] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Young, DL (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
NR 10
TC 3
Z9 3
U1 1
U2 7
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1876-6102
J9 ENRGY PROCED
PY 2014
VL 55
BP 733
EP 740
DI 10.1016/j.egypro.2014.08.053
PG 8
WC Energy & Fuels; Engineering, Electrical & Electronic
SC Energy & Fuels; Engineering
GA BB7XW
UT WOS:000346095800102
ER
PT J
AU Kolda, TG
Pinar, A
Plantenga, T
Seshadhri, C
AF Kolda, Tamara G.
Pinar, Ali
Plantenga, Todd
Seshadhri, C.
TI A SCALABLE GENERATIVE GRAPH MODEL WITH COMMUNITY STRUCTURE
SO SIAM JOURNAL ON SCIENTIFIC COMPUTING
LA English
DT Article
DE graph generator; network data; block two-level Erdos-Renyi (BTER) model;
large-scale graph benchmarks
ID POWER-LAW GRAPHS; NETWORKS
AB Network data is ubiquitous and growing, yet we lack realistic generative network models that can be calibrated to match real-world data. The recently proposed block two-level Erdos-Renyi (BTER) model can be tuned to capture two fundamental properties: degree distribution and clustering coefficients. The latter is particularly important for reproducing graphs with community structure, such as social networks. In this paper, we compare BTER to other scalable models and show that it gives a better fit to real data. We provide a scalable implementation that requires only O(d(max)) storage, where d(max) is the maximum number of neighbors for a single node. The generator is trivially parallelizable, and we show results for a Hadoop MapReduce implementation for modeling a real-world Web graph with over 4.6 billion edges. We propose that the BTER model can be used as a graph generator for benchmarking purposes and provide idealized degree distributions and clustering coefficient profiles that can be tuned for user specifications.
C1 [Kolda, Tamara G.; Pinar, Ali; Plantenga, Todd; Seshadhri, C.] Sandia Natl Labs, Livermore, CA 94551 USA.
RP Kolda, TG (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA.
EM tgkolda@sandia.gov; apinar@sandia.gov; tplante@sandia.gov;
scomand@sandia.gov
FU GRAPHS Program at DARPA; Applied Mathematics Program at the U.S.
Department of Energy; U.S. Department of Energy's National Nuclear
Security Administration [DE-AC04-94AL85000]
FX This work was funded by the GRAPHS Program at DARPA and by the Applied
Mathematics Program at the U.S. Department of Energy. 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 47
TC 8
Z9 8
U1 0
U2 3
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 1064-8275
EI 1095-7197
J9 SIAM J SCI COMPUT
JI SIAM J. Sci. Comput.
PY 2014
VL 36
IS 5
BP C424
EP C452
DI 10.1137/130914218
PG 29
WC Mathematics, Applied
SC Mathematics
GA AW2MT
UT WOS:000346123200023
ER
PT J
AU Schatz, MD
Low, TM
van de Geijn, RA
Kolda, TG
AF Schatz, Martin D.
Low, Tze Meng
van de Geijn, Robert A.
Kolda, Tamara G.
TI EXPLOITING SYMMETRY IN TENSORS FOR HIGH PERFORMANCE: MULTIPLICATION WITH
SYMMETRIC TENSORS
SO SIAM JOURNAL ON SCIENTIFIC COMPUTING
LA English
DT Article
DE high performance; multilinear algebra; algorithms
ID LINEAR ALGEBRA SUBPROGRAMS; ALGORITHMS; IMPLEMENTATION; APPROXIMATION;
LIBRARY; FLAME; SET
AB Symmetric tensor operations arise in a wide variety of computations. However, the benefits of exploiting symmetry in order to reduce storage and computation is in conflict with a desire to simplify memory access patterns. In this paper, we propose a blocked data structure (blocked compact symmetric storage) wherein we consider the tensor by blocks and store only the unique blocks of a symmetric tensor. We propose an algorithm by blocks, already shown of benefit for matrix computations, that exploits this storage format by utilizing a series of temporary tensors to avoid redundant computation. Further, partial symmetry within temporaries is exploited to further avoid redundant storage and redundant computation. A detailed analysis shows that, relative to storing and computing with tensors without taking advantage of symmetry and partial symmetry, storage requirements are reduced by a factor of O(m!) and computational requirements by a factor of O((m + 1)!/2(m)), where m is the order of the tensor. However, as the analysis shows, care must be taken in choosing the correct block size to ensure these storage and computational benefits are achieved (particularly for low-order tensors). An implementation demonstrates that storage is greatly reduced and the complexity introduced by storing and computing with tensors by blocks is manageable. Preliminary results demonstrate that computational time is also reduced. The paper concludes with a discussion of how insights in this paper point to opportunities for generalizing recent advances in the domain of linear algebra libraries to the field of multilinear computation.
C1 [Schatz, Martin D.; Low, Tze Meng; van de Geijn, Robert A.] Univ Texas Austin, Inst Computat Engn & Sci, Dept Comp Sci, Austin, TX 78701 USA.
[Kolda, Tamara G.] Sandia Natl Labs, Livermore, CA 94551 USA.
RP Schatz, MD (reprint author), Univ Texas Austin, Inst Computat Engn & Sci, Dept Comp Sci, Austin, TX 78701 USA.
EM martin.schatz@utexas.edu; ltm@cs.utexas.edu; rvdg@cs.utexas.edu;
tgkolda@sandia.gov
FU NSF [ACI-1148125, CCF-1320112]; Applied Mathematics program at the U.S.
Department of Energy; U.S. Department of Energy's National Nuclear
Security Administration [DE-AC04-94AL85000]
FX This work was partially sponsored by NSF grants ACI-1148125 and
CCF-1320112. This work was also supported by the Applied Mathematics
program at the U.S. Department of Energy. 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. 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 (NSF).
NR 40
TC 6
Z9 6
U1 2
U2 4
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 1064-8275
EI 1095-7197
J9 SIAM J SCI COMPUT
JI SIAM J. Sci. Comput.
PY 2014
VL 36
IS 5
BP C453
EP C479
DI 10.1137/130907215
PG 27
WC Mathematics, Applied
SC Mathematics
GA AW2MT
UT WOS:000346123200024
ER
PT J
AU Constantine, PG
Gleich, DF
Hou, YY
Templeton, J
AF Constantine, Paul G.
Gleich, David F.
Hou, Yangyang
Templeton, Jeremy
TI MODEL REDUCTION WITH MAPREDUCE-ENABLED TALL AND SKINNY SINGULAR VALUE
DECOMPOSITION
SO SIAM JOURNAL ON SCIENTIFIC COMPUTING
LA English
DT Article
DE model reduction; simulation informatics; MapReduce; Hadoop;
tall-and-skinny SVD
ID PROPER ORTHOGONAL DECOMPOSITION; DIFFERENTIAL-EQUATIONS
AB We present a method for computing reduced-order models of parameterized partial differential equation solutions. The key analytical tool is the singular value expansion of the parameterized solution, which we approximate with a singular value decomposition of a parameter snapshot matrix. To evaluate the reduced-order model at a new parameter, we interpolate a subset of the right singular vectors to generate the reduced-order model's coefficients. We employ a novel method to select this subset that uses the parameter gradient of the right singular vectors to split the terms in the expansion, yielding a mean prediction and a prediction covariance-similar to a Gaussian process approximation. The covariance serves as a confidence measure for the reduced-order model. We demonstrate the efficacy of the reduced-order model using a parameter study of heat transfer in random media. The high-fidelity simulations produce more than 4TB of data; we compute the singular value decomposition and evaluate the reduced-order model using scalable MapReduce/Hadoop implementations. We compare the accuracy of our method with a scalar response surface on a set of temperature profile measurements and find that our model better captures sharp, local features in the parameter space.
C1 [Constantine, Paul G.] Colorado Sch Mines, Golden, CO 80401 USA.
[Gleich, David F.; Hou, Yangyang] Purdue Univ, W Lafayette, IN 47907 USA.
[Templeton, Jeremy] Sandia Natl Labs, Livermore, CA 94551 USA.
RP Constantine, PG (reprint author), Colorado Sch Mines, Golden, CO 80401 USA.
EM paul.constantine@mines.edu; dgleich@purdue.edu; hou13@purdue.edu;
jatempl@sandia.gov
RI Constantine, Paul/G-6394-2015
OI Constantine, Paul/0000-0003-3726-6307
FU United States Department of Energy [DE-AC04-94AL85000]
FX We thank the anonymous reviewers for helpful comments and suggestions.
We also thank Margot Gerritsen at Stanford's Institute for Computational
and Mathematical Engineering for procurement of and access to the Hadoop
cluster. We thank Austin Benson at Stanford for his superb code
development for the TSQR and TSSVD. We thank Joe Ruthruff at Sandia for
his efforts in developing the infrastructure to run the Aria cases.
Finally, we thank David Rogers at Sandia. 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 33
TC 3
Z9 3
U1 0
U2 3
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 1064-8275
EI 1095-7197
J9 SIAM J SCI COMPUT
JI SIAM J. Sci. Comput.
PY 2014
VL 36
IS 5
BP S166
EP S191
DI 10.1137/130925219
PG 26
WC Mathematics, Applied
SC Mathematics
GA AW2MT
UT WOS:000346123200038
ER
PT J
AU Kolda, TG
Pinar, A
Plantenga, T
Seshadhri, C
Task, C
AF Kolda, Tamara G.
Pinar, Ali
Plantenga, Todd
Seshadhri, C.
Task, Christine
TI COUNTING TRIANGLES IN MASSIVE GRAPHS WITH MAPREDUCE
SO SIAM JOURNAL ON SCIENTIFIC COMPUTING
LA English
DT Article
DE triangle counting; clustering coefficient; triangle characteristics;
large-scale networks; MapReduce
ID STREAMING ALGORITHMS; NETWORKS; WORLD
AB Graphs and networks are used to model interactions in a variety of contexts. There is a growing need to quickly assess the characteristics of a graph in order to understand its underlying structure. Some of the most useful metrics are triangle-based and give a measure of the connectedness of mutual friends. This is often summarized in terms of clustering coefficients, which measure the likelihood that two neighbors of a node are themselves connected. Computing these measures exactly for large-scale networks is prohibitively expensive in both memory and time. However, a recent wedge-sampling algorithm has proved successful in efficiently and accurately estimating clustering coefficients. In this paper, we describe how to implement this approach in MapReduce to deal with massive graphs. We show results on publicly available networks, the largest of which is 132M nodes and 4.7B edges, as well as artificially generated networks (using the Graph500 benchmark), the largest of which has 240M nodes and 8.5B edges. We can estimate the clustering coefficient by degree bin (e. g., we use exponential binning) and the number of triangles per bin, as well as the global clustering coefficient and total number of triangles, in an average of 0.33 seconds per million edges plus overhead (approximately 225 seconds total for our configuration). The technique can also be used to study triangle statistics such as the ratio of the highest and lowest degree, and we highlight differences between social and nonsocial networks. To the best of our knowledge, these are the largest triangle-based graph computations published to date.
C1 [Kolda, Tamara G.; Pinar, Ali; Plantenga, Todd; Seshadhri, C.] Sandia Natl Labs, Livermore, CA 94551 USA.
[Task, Christine] Purdue Univ, Dept Comp Sci, W Lafayette, IN 47907 USA.
RP Kolda, TG (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA.
EM tgkolda@sandia.gov; apinar@sandia.gov; tplante@sandia.gov;
scomand@sandia.gov; ctask@purdue.edu
FU GRAPHS Program at DARPA; Applied Mathematics Program at the U.S.
Department of Energy; U.S. Department of Energy's National Nuclear
Security Administration [DE-AC04-94AL85000]
FX This work was funded by the GRAPHS Program at DARPA and by the Applied
Mathematics Program at the U.S. Department of Energy. 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 65
TC 1
Z9 1
U1 0
U2 3
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 1064-8275
EI 1095-7197
J9 SIAM J SCI COMPUT
JI SIAM J. Sci. Comput.
PY 2014
VL 36
IS 5
BP S48
EP S77
DI 10.1137/13090729X
PG 30
WC Mathematics, Applied
SC Mathematics
GA AW2MT
UT WOS:000346123200034
ER
PT S
AU Osorio, AI
Solis-Najera, SE
Vazquez, F
Wang, RL
Tomasi, D
Rodriguez, AO
AF Osorio, A. I.
Solis-Najera, S. E.
Vazquez, F.
Wang, R. L.
Tomasi, D.
Rodriguez, A. O.
BE BernalAlvarado, JD
GuzmanCabrera, R
Brandan, ME
TI Multi Circular-Cavity Surface Coil for Magnetic Resonance Imaging of
Monkey's Brain at 4 Tesla
SO XIII MEXICAN SYMPOSIUM ON MEDICAL PHYSICS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 13th Mexican Symposium on Medical Physics
CY MAR 15-16, 2014
CL Univ Guanajuato, Campus Leon, Leon, MEXICO
SP Mexican Phys Soc, Med Phys Div, Centro Latinoamericano Fisica, Inst Politecnico Nacl
HO Univ Guanajuato, Campus Leon
AB Animal models in medical research has been used to study humans diseases for several decades. The use of different imaging techniques together with different animal models offers a great advantage due to the possibility to study some human pathologies without the necessity of chirurgical intervention. The employ of magnetic resonance imaging for the acquisition of anatomical and functional images is an excellent tool because its noninvasive nature. Dedicated coils to perform magnetic resonance imaging experiments are obligatory due to the improvement on the signal-to-noise ratio and reduced specific absorption ratio. A specifically designed surface coil for magnetic resonance imaging of monkey's brain is proposed based on the multi circular-slot coil. Numerical simulations of the magnetic and electric fields were also performed using the Finite Integration Method to solve Maxwell's equations for this particular coil design and, to study the behavior of various vector magnetic field configurations and specific absorption ratio. Monkey's brain images were then acquired with a research-dedicated magnetic resonance imaging system at 4T, to evaluate the anatomical images with conventional imaging sequences. This coil showed good quality images of a monkey's brain and full compatibility with standard pulse sequences implemented in research-dedicated imager.
C1 [Osorio, A. I.] Univ Autonoma Metropolitana Azcapotzalco, Dept Ciencias Basicas, Av San Pablo 180, Reynosa Tamaulipas 02200, Azcapotzalco, Mexico.
[Solis-Najera, S. E.; Vazquez, F.] Univ Nacl Autonoma Mexico, Fac Ciencias, Mexico City 04510, DF, Mexico.
[Wang, R. L.] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA.
[Tomasi, D.] Natl Inst Alcohol Abuse & Alcoholism, Bethesda, MD 20892 USA.
[Rodriguez, A. O.] Univ Autonoma Metropolitana Iztapalapa, Dept Ingn Elect, Mexico City 09340, DF, Mexico.
RP Osorio, AI (reprint author), Univ Autonoma Metropolitana Azcapotzalco, Dept Ciencias Basicas, Av San Pablo 180, Reynosa Tamaulipas 02200, Azcapotzalco, Mexico.
EM solisnajera@ciencias.unam.mx
RI Tomasi, Dardo/J-2127-2015
FU CONACYT [112092]
FX S. E. S. wishes to thank the CONACYT for a posdoc stipend under grant
no. 112092
NR 11
TC 0
Z9 0
U1 1
U2 2
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1263-7
J9 AIP CONF PROC
PY 2014
VL 1626
BP 159
EP 163
DI 10.1063/1.4901383
PG 5
WC Physics, Applied; Radiology, Nuclear Medicine & Medical Imaging
SC Physics; Radiology, Nuclear Medicine & Medical Imaging
GA BB7RK
UT WOS:000345929100030
ER
PT S
AU Rossi, P
AF Rossi, Patrizia
BE Tabacniks, MH
DeOliveira, JRB
Higa, R
Shorto, JMB
TI Jefferson Lab: New Opportunities in Hadronic Physics
SO XXXVI BRAZILIAN WORKSHOP ON NUCLEAR PHYSICS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 36th Brazilian Workshop on Nuclear Physics
CY SEP 01-05, 2013
CL Sao Sebastiao, BRAZIL
SP Brazilian Phys Soc, Fundacao Amparo Pesquisa Sao Paulo, Fundacao Amparo Pesquisa Rio de Janeiro, Conselho Nacl Desenvolvimento Cientifico & Tecnologico, Coordenacao Aperfeicoamento Pessoal Nivel Super, Int Atom Energy Agcy, SINC Brasil
AB Jefferson Lab (JLab) is a fundamental research laboratory located in Newport News (Virginia- USA) whose primary mission is to explore the fundamental nature of confined states of quarks and gluons. It consists of a high- intensity electron accelerator based on continuous wave superconducting radio frequency technology and a sophisticated array of particle detectors. The design features and excellent performance of the accelerator made it possible to plan an upgrade in energy from 6 to 12 GeV without substantially altering the construction scheme of the accelerator. The program includes the construction of major new experimental facilities for the existing three Halls, A, B, C and the construction of the new experimental Hall D. The research program that motivated the upgrade in energy includes: the study of the nucleon "tomography"through the study of generalized parton distribution functions (GPDs) and transverse momentum dependent parton distribution functions (TMDs), the study of exotics and hybrid mesons to explore the nature of the quarks confinement, precision test of the Standard Model through parity- violating electron scattering experiments.
Major highlights of the program at 6 GeV will be presented as well as an overview of the 12 GeV physics program.
C1 [Rossi, Patrizia] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA.
RP Rossi, P (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA.
NR 13
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1262-0
J9 AIP CONF PROC
PY 2014
VL 1625
BP 24
EP 30
DI 10.1063/1.4901759
PG 7
WC Physics, Applied; Physics, Nuclear
SC Physics
GA BB7RH
UT WOS:000345925600004
ER
PT S
AU Nobre, GPA
Dietrich, FS
Herman, M
Palumbo, A
Hoblit, S
Brown, D
AF Nobre, G. P. A.
Dietrich, F. S.
Herman, M.
Palumbo, A.
Hoblit, S.
Brown, D.
BE Tabacniks, MH
DeOliveira, JRB
Higa, R
Shorto, JMB
TI Towards an optical potential for rare-earths through coupled channels
SO XXXVI BRAZILIAN WORKSHOP ON NUCLEAR PHYSICS
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 36th Brazilian Workshop on Nuclear Physics
CY SEP 01-05, 2013
CL Sao Sebastiao, BRAZIL
SP Brazilian Phys Soc, Fundacao Amparo Pesquisa Sao Paulo, Fundacao Amparo Pesquisa Rio de Janeiro, Conselho Nacl Desenvolvimento Cientifico & Tecnologico, Coordenacao Aperfeicoamento Pessoal Nivel Super, Int Atom Energy Agcy, SINC Brasil
DE Coupled channels; optical model; optical potential; deformed nuclei
ID EQUILIBRIUM STATISTICAL-MODEL; NEUTRON-SCATTERING; NUCLEI; ENERGY; W-184
AB The coupled-channel theory is a natural way of treating nonelastic channels, in particular those arising from collective excitations, defined by nuclear deformations. Proper treatment of such excitations is often essential to the accurate description of reaction experimental data. Previous works have applied different models to specific nuclei with the purpose of determining angular-integrated cross sections. In this work, we present an extensive study of the effects of collective couplings and nuclear deformations on integrated cross sections as well as on angular distributions in a consistent manner for neutron-induced reactions on nuclei in the rare-earth region. This specific subset of the nuclide chart was chosen precisely because of a clear static deformation pattern. We analyze the convergence of the coupled-channel calculations regarding the number of states being explicitly coupled. Inspired by the work done by Dietrich et al., a model for deforming the spherical Koning-Delaroche optical potential as function of quadrupole and hexadecupole deformations is also proposed. We demonstrate that the obtained results of calculations for total, elastic and inelastic cross sections, as well as elastic and inelastic angular distributions correspond to a remarkably good agreement with experimental data for scattering energies above around a few MeV.
C1 [Nobre, G. P. A.; Herman, M.; Palumbo, A.; Hoblit, S.; Brown, D.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
[Dietrich, F. S.] PO Box 30423, Walnut Creek, CA 94598 USA.
RP Nobre, GPA (reprint author), Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
FU Office of Nuclear Physics; Office of Science of U.S. Department of
Energy [DE-ACO2-98CH10886]; Brookhaven Science Associates, LLC
FX The work at Brookhaven National Laboratory was sponsored by the Office
of Nuclear Physics, Office of Science of the U.S. Department of Energy
under Contract No. DE-ACO2-98CH10886 with Brookhaven Science Associates,
LLC.
NR 29
TC 1
Z9 1
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1262-0
J9 AIP CONF PROC
PY 2014
VL 1625
BP 45
EP 51
DI 10.1063/1.4901763
PG 7
WC Physics, Applied; Physics, Nuclear
SC Physics
GA BB7RH
UT WOS:000345925600008
ER
PT J
AU Carpenter, MH
Fisher, TC
Nielsen, EJ
Frankel, SH
AF Carpenter, Mark H.
Fisher, Travis C.
Nielsen, Eric J.
Frankel, Steven H.
TI ENTROPY STABLE SPECTRAL COLLOCATION SCHEMES FOR THE NAVIER-STOKES
EQUATIONS: DISCONTINUOUS INTERFACES
SO SIAM JOURNAL ON SCIENTIFIC COMPUTING
LA English
DT Article
DE high-order finite-element methods; conservation; skew-symmetric; entropy
stability; Navier-Stokes; SBP-SAT
ID ESSENTIALLY NONOSCILLATORY SCHEMES; NONLINEAR CONSERVATION-LAWS;
FINITE-DIFFERENCE SCHEMES; WALL BOUNDARY-CONDITIONS; EFFICIENT
IMPLEMENTATION; ELEMENT-METHOD; FAR-FIELD; SYSTEMS; ORDER; ACCURACY
AB Nonlinear entropy stability and a summation-by-parts framework are used to derive provably stable, polynomial-based spectral collocation element methods of arbitrary order for the compressible Navier-Stokes equations. The new methods are similar to strong form, nodal discontinuous Galerkin spectral elements but conserve entropy for the Euler equations and are entropy stable for the Navier-Stokes equations. Shock capturing follows immediately by combining them with a dissipative companion operator via a comparison approach. Smooth and discontinuous test cases are presented that demonstrate their efficacy.
C1 [Carpenter, Mark H.; Nielsen, Eric J.] NASA, Computat AeroSci Branch CASB, Langley Res Ctr LaRC, Hampton, VA 23681 USA.
[Fisher, Travis C.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Frankel, Steven H.] Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA.
RP Carpenter, MH (reprint author), NASA, Computat AeroSci Branch CASB, Langley Res Ctr LaRC, Hampton, VA 23681 USA.
EM mark.h.carpenter@nasa.gov; tcfishe@sandia.gov; eric.j.nielsen@nasa.gov;
stevenfrankel@purdue.edu
FU U.S. Government; "Revolutionary Computational Aerosciences" project;
U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX Special thanks are extended to Dr. Mujeeb Malik for funding this work as
part of the "Revolutionary Computational Aerosciences" project. 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. This work was
performed by an employee of the U.S. Government or under U.S. Government
contract. 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.
NR 43
TC 13
Z9 13
U1 0
U2 1
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 1064-8275
EI 1095-7197
J9 SIAM J SCI COMPUT
JI SIAM J. Sci. Comput.
PY 2014
VL 36
IS 5
BP B835
EP B867
DI 10.1137/130932193
PG 33
WC Mathematics, Applied
SC Mathematics
GA AW2MT
UT WOS:000346123200020
ER
PT J
AU Kreutzer, M
Hager, G
Wellein, G
Fehske, H
Bishop, AR
AF Kreutzer, Moritz
Hager, Georg
Wellein, Gerhard
Fehske, Holger
Bishop, Alan R.
TI A UNIFIED SPARSE MATRIX DATA FORMAT FOR EFFICIENT GENERAL SPARSE
MATRIX-VECTOR MULTIPLICATION ON MODERN PROCESSORS WITH WIDE SIMD UNITS
SO SIAM JOURNAL ON SCIENTIFIC COMPUTING
LA English
DT Article
DE sparse matrix; sparse matrix-vector multiplication; data format;
performance model; SIMD
ID ARCHITECTURES; PERFORMANCE; GPUS
AB Sparse matrix-vector multiplication (spMVM) is the most time-consuming kernel in many numerical algorithms and has been studied extensively on all modern processor and accelerator architectures. However, the optimal sparse matrix data storage format is highly hardware-specific, which could become an obstacle when using heterogeneous systems. Also, it is as yet unclear how the wide single instruction multiple data (SIMD) units in current multi-and many-core processors should be used most efficiently if there is no structure in the sparsity pattern of the matrix. We suggest SELLC-sigma, a variant of Sliced ELLPACK, as a SIMD-friendly data format which combines long-standing ideas from general-purpose graphics processing units and vector computer programming. We discuss the advantages of SELL-C-sigma compared to established formats like Compressed Row Storage and ELLPACK and show its suitability on a variety of hardware platforms (Intel Sandy Bridge, Intel Xeon Phi, and Nvidia Tesla K20) for a wide range of test matrices from different application areas. Using appropriate performance models we develop deep insight into the data transfer properties of the SELL-C-sigma spMVM kernel. SELL-C-sigma comes with two tuning parameters whose performance impact across the range of test matrices is studied and for which reasonable choices are proposed. This leads to a hardware-independent ("catch-all") sparse matrix format, which achieves very high efficiency for all test matrices across all hardware platforms.
C1 [Kreutzer, Moritz; Hager, Georg; Wellein, Gerhard] Univ Erlangen Nurnberg, Erlangen Reg Comp Ctr, D-91058 Erlangen, Germany.
[Fehske, Holger] Ernst Moritz Arndt Univ Greifswald, Inst Phys, D-17489 Greifswald, Germany.
[Bishop, Alan R.] Los Alamos Natl Lab, Theory Simulat & Computat Directorate, Los Alamos, NM 87545 USA.
RP Kreutzer, M (reprint author), Univ Erlangen Nurnberg, Erlangen Reg Comp Ctr, D-91058 Erlangen, Germany.
EM moritz.kreutzer@fau.de; georg.hager@fau.de; gerhard.wellein@fau.de;
fehske@physik.uni-greifsuald.de; arb@lanl.gov
FU German Research Foundation (DFG) [1648]; Competence Network for
Scientific High Performance Computing in Bavaria (KONWIHR); U.S.
Department of Energy (DOE)
FX This work was supported (in part) by the German Research Foundation
(DFG) through the Priority Programme 1648 "Software for Exascale
Computing" (SPPEXA) under project ESSEX, by the Competence Network for
Scientific High Performance Computing in Bavaria (KONWIHR) under project
HQS@HPC, and by the U.S. Department of Energy (DOE).
NR 20
TC 22
Z9 22
U1 2
U2 4
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 1064-8275
EI 1095-7197
J9 SIAM J SCI COMPUT
JI SIAM J. Sci. Comput.
PY 2014
VL 36
IS 5
BP C401
EP C423
DI 10.1137/130930352
PG 23
WC Mathematics, Applied
SC Mathematics
GA AW2MT
UT WOS:000346123200022
ER
PT S
AU Wijayasekara, D
Manic, M
Gertman, D
AF Wijayasekara, Dumidu
Manic, Milos
Gertman, David
GP IEEE
TI Driving Behavior Prompting Framework for Improving Fuel Efficiency
SO 2014 7TH INTERNATIONAL CONFERENCE ON HUMAN SYSTEM INTERACTIONS (HSI)
SE Conference on Human System Interaction
LA English
DT Proceedings Paper
CT 7th International Conference on Human System Interactions (HSI)
CY JUN 16-18, 2014
CL Lisbon, PORTUGAL
SP Inst Elect & Elect Engineers, IEEE Ind Elect Soc, Inst Dev New Technologies, Nova Univ Lisbon, Fac Sci & Technol
DE Visualization; fuel efficiency; driver prompting; passive driver
assistance
ID CONSUMPTION; VEHICLES
AB With escalating fuel prices, limited fossil fuel reserves and increasing carbon emissions, significant efforts are being made to decrease fuel consumption in vehicles. While, drivetrain improvements play a major role in improving fuel economy, it has been identified that fuel efficient driving behavior is a viable method for increased fuel efficiency. Thus, if the optimal fuel efficient behavior can be identified, it can be used to increase the fuel efficiency of drivers. However, once the optimal fuel efficient behavior is identified, it has to be presented to the driver, while the vehicle is being driven. Thus, this method of information representation has to be un-obstructive and easy to comprehend. This paper presents a low cost framework and a hardware setup for prompting drivers on fuel efficient behavior. The presented framework includes an information rich, intuitive un-obstructive visualization. The presented method was implemented using low cost, commercial-off-the-shelf hardware and tested on a sample of buses selected from the Idaho National Laboratory (INL) bus fleet. Different types of visual cues were and evaluated by professional drivers for obstructiveness, interpretability and intuitiveness.
C1 [Wijayasekara, Dumidu; Manic, Milos] Univ Idaho, Idaho Falls, ID 83402 USA.
[Gertman, David] INL, Idaho Falls, ID USA.
RP Wijayasekara, D (reprint author), Univ Idaho, Idaho Falls, ID 83402 USA.
EM wija2589@vandals.uidaho.edu; misko@ieee.org; david.gertman@inl.gov
FU Battelle Energy Alliance, LLC [DE- AC07- 05ID14517]; U. S. Department of
Energy
FX This manuscript is the result of work conducted under sponsorship by
Battelle Energy Alliance, LLC under Contract No. DE- AC07- 05ID14517
with the U. S. Department of Energy. The authors would like to thank
support given by Mr. Scott Wold, Manager for the Idaho National
Laboratory ( INL) Mission Support Services, and Jeffrey Brown and the
professional bus drivers who helped make this effort a success.
NR 14
TC 1
Z9 1
U1 1
U2 1
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 2158-2246
BN 978-1-4799-4714-0
J9 C HUM SYST INTERACT
PY 2014
BP 55
EP 60
PG 6
WC Computer Science, Artificial Intelligence; Computer Science, Cybernetics
SC Computer Science
GA BB7NN
UT WOS:000345791900007
ER
PT J
AU Mamaluy, D
Gao, X
Tierney, B
AF Mamaluy, D.
Gao, X.
Tierney, B.
GP IEEE
TI How much time does FET scaling have left?
SO 2014 INTERNATIONAL WORKSHOP ON COMPUTATIONAL ELECTRONICS (IWCE)
LA English
DT Proceedings Paper
CT International Workshop on Computational Electronics (IWCE)
CY JUN 03-06, 2014
CL Paris, FRANCE
SP Inst Electronique Fondamentale, Ctr Natl Rech Sci, Univ Paris Sud, Lab Excellence Nanosciences & Nanotechnologies, Nano K, Quantum Wise, IEEE France Sect
C1 [Mamaluy, D.; Gao, X.; Tierney, B.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Mamaluy, D (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM mamaluy@sandia.gov
NR 7
TC 0
Z9 0
U1 0
U2 0
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
BN 978-1-4799-5433-9
PY 2014
PG 2
WC Computer Science, Hardware & Architecture; Engineering, Electrical &
Electronic
SC Computer Science; Engineering
GA BB7LM
UT WOS:000345736700068
ER
PT J
AU Muller, M
Mikoviny, T
Feil, S
Haidacher, S
Hanel, G
Hartungen, E
Jordan, A
Mark, L
Mutschlechner, P
Schottkowsky, R
Sulzer, P
Crawford, JH
Wisthaler, A
AF Mueller, M.
Mikoviny, T.
Feil, S.
Haidacher, S.
Hanel, G.
Hartungen, E.
Jordan, A.
Maerk, L.
Mutschlechner, P.
Schottkowsky, R.
Sulzer, P.
Crawford, J. H.
Wisthaler, A.
TI A compact PTR-ToF-MS instrument for airborne measurements of volatile
organic compounds at high spatiotemporal resolution
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID TRANSFER-REACTION-TIME; IONIZATION MASS-SPECTROMETRY; SURINAM
AB Herein, we report on the development of a compact proton-transfer-reaction time-of-flight mass spectrometer (PTR-ToF-MS) for airborne measurements of volatile organic compounds (VOCs). The new instrument resolves isobaric ions with a mass resolving power (m/Delta m) of similar to 1000, provides accurate m/z measurements (Delta m < 3 mDa), records full mass spectra at 1 Hz and thus overcomes some of the major analytical deficiencies of quadrupole-MS-based airborne instruments. 1 Hz detection limits for biogenic VOCs (isoprene, alpha total monoterpenes), aromatic VOCs (benzene, toluene, xylenes) and ketones (acetone, methyl ethyl ketone) range from 0.05 to 0.12 ppbV, making the instrument well-suited for fast measurements of abundant VOCs in the continental boundary layer. The instrument detects and quantifies VOCs in locally confined plumes (< 1 km), which improves our capability of characterizing emission sources and atmospheric processing within plumes. A deployment during the NASA 2013 DISCOVER-AQ mission generated high vertical- and horizontal-resolution in situ data of VOCs and ammonia for the validation of satellite retrievals and chemistry transport models.
C1 [Mueller, M.; Wisthaler, A.] Univ Innsbruck, Inst Ionenphys & Angew Phys, A-6020 Innsbruck, Austria.
[Mikoviny, T.; Crawford, J. H.] NASA, Langley Res Ctr, Chem & Dynam Branch, Sci Directorate, Hampton, VA 23665 USA.
[Mikoviny, T.] Oak Ridge Associated Univ, Oak Ridge, TN USA.
[Feil, S.; Haidacher, S.; Hanel, G.; Hartungen, E.; Jordan, A.; Maerk, L.; Mutschlechner, P.; Schottkowsky, R.; Sulzer, P.] Ionicon Analyt GmbH, Innsbruck, Austria.
[Mikoviny, T.; Wisthaler, A.] Univ Oslo, Dept Chem, Oslo, Norway.
RP Wisthaler, A (reprint author), Univ Innsbruck, Inst Ionenphys & Angew Phys, A-6020 Innsbruck, Austria.
EM armin.wisthaler@uibk.ac.at
RI Muller, Markus/L-1699-2014
OI Muller, Markus/0000-0003-4110-8950
FU Austrian Space Applications Programme (ASAP 8) [833451]; Austrian
Ministry for Transport, Innovation and Technology (BMVIT); NASA
FX The development of the PTR-ToF-MS was funded through the Austrian Space
Applications Programme (ASAP 8, #833451). ASAP is sponsored by the
Austrian Ministry for Transport, Innovation and Technology (BMVIT) and
administered by the Aeronautics and Space Agency (ALR) of the Austrian
Research Promotion Agency (FFG). Tomas Mikoviny was funded through the
NASA Postdoctoral Program which is administered for NASA by Oak Ridge
Associated Universities (ORAU). DISCOVER-AQ is part of the NASA Earth
Venture-1 (EV-1) program.
NR 19
TC 11
Z9 11
U1 3
U2 23
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1867-1381
EI 1867-8548
J9 ATMOS MEAS TECH
JI Atmos. Meas. Tech.
PY 2014
VL 7
IS 11
BP 3763
EP 3772
DI 10.5194/amt-7-3763-2014
PG 10
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AU7LB
UT WOS:000345781000010
ER
PT J
AU Madonna, F
Rosoldi, M
Guldner, J
Haefele, A
Kivi, R
Cadeddu, MP
Sisterson, D
Pappalardo, G
AF Madonna, F.
Rosoldi, M.
Gueldner, J.
Haefele, A.
Kivi, R.
Cadeddu, M. P.
Sisterson, D.
Pappalardo, G.
TI Quantifying the value of redundant measurements at GCOS Reference
Upper-Air Network sites
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID THERMODYNAMIC PROFILES; UNCERTAINTY; CLOUD
AB The potential for measurement redundancy to reduce uncertainty in atmospheric variables has not been investigated comprehensively for climate observations. We evaluated the usefulness of entropy and mutual correlation concepts, as defined in information theory, for quantifying random uncertainty and redundancy in time series of the integrated water vapour (IWV) and water vapour mixing ratio profiles provided by five highly instrumented GRUAN (GCOS, Global Climate Observing System, Reference Upper-Air Network) stations in 2010-2012. Results show that the random uncertainties on the IWV measured with radiosondes, global positioning system, microwave and infrared radiometers, and Raman lidar measurements differed by less than 8 %. Comparisons of time series of IWV content from ground-based remote sensing instruments with in situ soundings showed that microwave radiometers have the highest redundancy with the IWV time series measured by radiosondes and therefore the highest potential to reduce the random uncertainty of the radiosondes time series. Moreover, the random uncertainty of a time series from one instrument can be reduced by similar to 60% by constraining the measurements with those from another instrument. The best reduction of random uncertainty is achieved by conditioning Raman lidar measurements with microwave radiometer measurements. Specific instruments are recommended for atmospheric water vapour measurements at GRUAN sites. This approach can be applied to the study of redundant measurements for other climate variables.
C1 [Madonna, F.; Rosoldi, M.; Pappalardo, G.] CNR, IMAA, I-85050 Potenza, Italy.
[Gueldner, J.] Lindenberg Richard Assmann Observ, Meteorol Observ, Deutsch Wetterdienst, D-15848 Tauche Lindenberg, Germany.
[Haefele, A.] Fed Off Meteorol & Climatol MeteoSwiss, CH-1530 Payerne, Switzerland.
[Kivi, R.] Finnish Meteorol Inst, Sodankyla 99600, Finland.
[Cadeddu, M. P.; Sisterson, D.] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Madonna, F (reprint author), CNR, IMAA, I-85050 Potenza, Italy.
EM fabio.madonna@imaa.cnr.it
FU US Department of Energy, Office of Science, Office of Biological and
Environmental Research [DE-AC02-06CH11357]; ACTRIS Research
Infrastructure Project - European Union [262254]
FX Data sources were as follows: ARM SGP data through the US Department of
Energy (www.arm.gov); CIAO Potenza data through CNR-IMAA
(http://www.ciao.imaa.cnr.it); Lindenberg data through the Lindenberg
Meteorological Observatory, Richard Assmann Observatory, Deutscher
Wetterdienst (http://www.dwd.de); PAY data through the Federal Office of
Meteorology and Climatology MeteoSwiss (http://meteoswiss.admin.ch); SOD
data through the Finnish Meteorological Institute (http://www.fmi.fi).
The authors also gratefully acknowledge the useful comments of A. Fasso
from University of Bergamo. This work was supported by the US Department
of Energy, Office of Science, Office of Biological and Environmental
Research, under contract DE-AC02-06CH11357. The authors also acknowledge
financial support for the ACTRIS Research Infrastructure Project
supported by the European Union Seventh Framework Programme
(FP7/2007-2013) under grant agreement no. 262254.
NR 23
TC 1
Z9 1
U1 0
U2 2
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1867-1381
EI 1867-8548
J9 ATMOS MEAS TECH
JI Atmos. Meas. Tech.
PY 2014
VL 7
IS 11
BP 3813
EP 3823
DI 10.5194/amt-7-3813-2014
PG 11
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AU7LB
UT WOS:000345781000014
ER
PT J
AU Brauer, CS
Blake, TA
Guenther, AB
Sharpe, SW
Sams, RL
Johnson, TJ
AF Brauer, C. S.
Blake, T. A.
Guenther, A. B.
Sharpe, S. W.
Sams, R. L.
Johnson, T. J.
TI Quantitative infrared absorption cross sections of isoprene for
atmospheric measurements
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID VOLATILE ORGANIC-COMPOUNDS; BIOMASS BURNING PLUMES; TRACE GASES;
PRESCRIBED FIRES; VIBRATIONAL ASSIGNMENTS; LABORATORY MEASUREMENTS;
EMISSION FACTORS; UNITED-STATES; SPECTROSCOPY;
2,3-DIMETHYL-1,3-BUTADIENE
AB Isoprene (C5H8, 2-methyl-1,3-butadiene) is a volatile organic compound (VOC) and is one of the primary contributors to annual global VOC emissions. Isoprene is produced primarily by vegetation as well as anthropogenic sources, and its OH-and O-3-initiated oxidations are a major source of atmospheric oxygenated organics. Few quantitative infrared studies have been reported for isoprene, limiting the ability to quantify isoprene emissions via remote or in situ infrared detection. We thus report absorption cross sections and integrated band intensities for isoprene in the 600-6500 cm(-1) region. The pressure-broadened (1 atmosphere N-2) spectra were recorded at 278, 298, and 323K in a 19.94 cm path-length cell at 0.112 cm 1 resolution, using a Bruker IFS 66v/S Fourier transform infrared (FTIR) spectrometer. Composite spectra are derived from a minimum of seven isoprene sample pressures, each at one of three temperatures, and the number densities are normalized to 296K and 1 atm.
C1 [Brauer, C. S.; Blake, T. A.; Sams, R. L.; Johnson, T. J.] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
[Guenther, A. B.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
[Sharpe, S. W.] Pacific NW Natl Lab, Signature Sci & Technol Div, Richland, WA 99352 USA.
RP Brauer, CS (reprint author), Pacific NW Natl Lab, Div Phys Sci, POB 999, Richland, WA 99352 USA.
EM carolyn.brauer@pnnl.gov
RI Guenther, Alex/B-1617-2008
OI Guenther, Alex/0000-0001-6283-8288
FU Department of Defense's Strategic Environmental Research and Development
Program (SERDP) [RC-1649]; Office of Defense Nuclear Nonproliferation
Research and Development (DNN RD); US Department of Energy by the
Battelle Memorial Institute [DE-AC05-76RLO 1830]
FX This work was supported by the Department of Defense's Strategic
Environmental Research and Development Program (SERDP), resource
conservation project RC-1649. This work also was supported by the Office
of Defense Nuclear Nonproliferation Research and Development (DNN R&D),
and we thank both sponsors for their support. PNNL is operated for the
US Department of Energy by the Battelle Memorial Institute under
contract DE-AC05-76RLO 1830.
NR 46
TC 5
Z9 5
U1 2
U2 12
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1867-1381
EI 1867-8548
J9 ATMOS MEAS TECH
JI Atmos. Meas. Tech.
PY 2014
VL 7
IS 11
BP 3839
EP 3847
DI 10.5194/amt-7-3839-2014
PG 9
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AU7LB
UT WOS:000345781000016
ER
PT J
AU Stevenson, KJ
Veneman, PA
Gearba, RI
Mueller, KM
Holliday, BJ
Ohta, T
Chan, CK
AF Stevenson, K. J.
Veneman, P. A.
Gearba, R. I.
Mueller, K. M.
Holliday, B. J.
Ohta, T.
Chan, C. K.
TI Controlled covalent modification of epitaxial single layer graphene on
6H-SiC (0001) with aryliodonium salts using electrochemical methods
SO FARADAY DISCUSSIONS
LA English
DT Article
ID ORDERED GRAPHITE-ELECTRODES; ARYL IODONIUM SALTS; PYROLYTIC-GRAPHITE;
CHEMICAL-MODIFICATION; GLASSY-CARBON; FUNCTIONALIZATION; SPECTROSCOPY;
SURFACES; KINETICS; REACTIVITY
AB Controlled covalent modification of graphene via electrochemically assisted grafting of molecules is expected to be a robust method for tuning the doping levels and work function and therefore enabling the deployment of graphene in photovoltaic and battery applications. By using aryliodonium salts, in particular, bis(4-nitrophenyl) iodonium tetrafluoroborate, the grafting density can be adjusted from 4 x 10(13) to 3 x 10(14) molecules per cm(2). New insights on the grafting mechanism and the reactivity of the graphene are reported here. Clean basal planes were found to have increased reactivity compared to atomic-level point defects (single vacancies). High resolution scanning tunnelling microscopy (STM) shows that some of the grafts present three-fold symmetry, which may indicate that the grafts are pairs of molecules. The point of attachment of the second molecule is under investigation using computational work which includes simulations of the STM images. Elongated as well as extended grafts (larger than 4 nm) are also observed.
C1 [Stevenson, K. J.; Veneman, P. A.; Gearba, R. I.; Mueller, K. M.; Holliday, B. J.] Univ Texas Austin, Energy Frontier Res Ctr, Austin, TX 78712 USA.
[Stevenson, K. J.; Veneman, P. A.; Gearba, R. I.; Mueller, K. M.; Holliday, B. J.] Univ Texas Austin, Dept Chem, Austin, TX 78712 USA.
[Ohta, T.; Chan, C. K.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Stevenson, KJ (reprint author), Univ Texas Austin, Energy Frontier Res Ctr, Austin, TX 78712 USA.
EM stevenson@cm.utexas.edu
FU Energy Frontier Research Center - U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences on "Understanding Charge
Separation and Transfer at Interfaces in Energy Materials" (EFRC:CST)
[DE-SC0001091]; U.S. Department of Energy, Office of Science, Office of
Basic Energy Sciences, Division of Materials Science and Engineering;
Sandia National Laboratories Laboratory Directed Research and
Development; U.S. Department of Energy's National Nuclear Security
Administration [DE-AC04-94AL85000]
FX This work was supported by an Energy Frontier Research Center funded by
the U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences on "Understanding Charge Separation and Transfer at Interfaces
in Energy Materials" (EFRC:CST, Award Number DE-SC0001091). T.O. also
acknowledges support from the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, Division of Materials Science
and Engineering. T.O. and C.K.C. acknowledge support from Sandia
National Laboratories Laboratory Directed Research and Development.
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 60
TC 11
Z9 11
U1 1
U2 17
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-6640
EI 1364-5498
J9 FARADAY DISCUSS
JI Faraday Discuss.
PY 2014
VL 172
BP 273
EP 291
DI 10.1039/c4fd00038b
PG 19
WC Chemistry, Physical
SC Chemistry
GA AU4JZ
UT WOS:000345578300016
PM 25301546
ER
PT J
AU Vuyisich, M
Arefin, A
Davenport, K
Feng, SH
Gleasner, C
McMurry, K
Parson-Quintana, B
Price, J
Scholz, M
Chain, P
AF Vuyisich, Momchilo
Arefin, Ayesha
Davenport, Karen
Feng, Shihai
Gleasner, Cheryl
McMurry, Kim
Parson-Quintana, Beverly
Price, Jennifer
Scholz, Matthew
Chain, Patrick
TI Facile, High Quality Sequencing of Bacterial Genomes from Small Amounts
of DNA
SO INTERNATIONAL JOURNAL OF GENOMICS
LA English
DT Article
ID DIAGNOSTICS
AB Sequencing bacterial genomes has traditionally required large amounts of genomic DNA (similar to 1 mu g). There have been few studies to determine the effects of the input DNA amount or library preparation method on the quality of sequencing data. Several new commercially available library preparation methods enable shotgun sequencing from as little as 1 ng of input DNA. In this study, we evaluated the NEBNext Ultra library preparation reagents for sequencing bacterial genomes. We have evaluated the utility of NEBNext Ultra for resequencing and de novo assembly of four bacterial genomes and compared its performance with the TruSeq library preparation kit. The NEBNext Ultra reagents enable high quality resequencing and de novo assembly of a variety of bacterial genomes when using 100 ng of input genomic DNA. For the two most challenging genomes (Burkholderia spp.), which have the highest GC content and are the longest, we also show that the quality of both resequencing and de novo assembly is not decreased when only 10 ng of input genomic DNA is used.
C1 [Vuyisich, Momchilo; Arefin, Ayesha; Davenport, Karen; Feng, Shihai; Gleasner, Cheryl; McMurry, Kim; Parson-Quintana, Beverly; Scholz, Matthew; Chain, Patrick] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Price, Jennifer] Parkview Med Ctr, Sch Med Lab Sci, Pueblo, CO 81003 USA.
RP Vuyisich, M (reprint author), Los Alamos Natl Lab, POB 1663,MS M888, Los Alamos, NM 87545 USA.
EM vuyisich@lanl.gov
OI Chain, Patrick/0000-0003-3949-3634
FU Defense Threat Reduction Agency (DTRA)
FX The authors thank Defense Threat Reduction Agency (DTRA) for funding.
They also thank all colleagues within the Genome Science Programs at Los
Alamos National Laboratory and research scientists from New England
Biolabs.
NR 24
TC 0
Z9 0
U1 0
U2 5
PU HINDAWI PUBLISHING CORPORATION
PI NEW YORK
PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA
SN 2314-436X
EI 2314-4378
J9 INT J GENOMICS
JI Int. J. Genomics
PY 2014
AR 434575
DI 10.1155/2014/434575
PG 8
WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology;
Genetics & Heredity
SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology;
Genetics & Heredity
GA AW0OP
UT WOS:000345992500001
ER
PT J
AU Perumalla, KS
Park, AJ
AF Perumalla, Kalyan S.
Park, Alfred J.
BE Obaidat, MS
Marchese, M
Bisio, I
Louta, M
DeRango, F
Saldana, J
TI Simulating Billion-Task Parallel Programs
SO INTERNATIONAL SYMPOSIUM ON PERFORMANCE EVALUATION OF COMPUTER AND
TELECOMMUNICATION SYSTEMS (SPECTS 2014)
LA English
DT Proceedings Paper
CT 17th International Symposium on Performance Evaluation of Computer and
Telecommunication Systems (SPECTS) part of SummerSim Multiconference
CY JUL 06-10, 2014
CL Monterey, CA
SP Soc Modeling & Simulat Int, IEEE, IEEE Commun Soc
ID PERFORMANCE PREDICTION; FRAMEWORK
AB In simulating large parallel systems, bottom-up approaches exercise detailed hardware models with effects from simplified software models or traces, whereas top-down approaches evaluate the timing and functionality of detailed software models over coarse hardware models. Here, we focus on the top-down approach and significantly advance the scale of the simulated parallel programs. Via the direct execution technique combined with parallel discrete event simulation, we stretch the limits of the top-down approach by simulating parallel programs with hundreds of millions of tasks. Although the scaling issues and solutions presented here are generally applicable, we focus on message passing interface (MPI) programs. Using a timing-validated benchmark application, a proof-of-concept scaling level is achieved to over 0.22 billion virtual MPI processes on 216,000 cores of a Cray XT5 supercomputer, representing one of the largest direct execution simulations to date, combined with a multiplexing ratio of 1024 simulated tasks per real task.
C1 [Perumalla, Kalyan S.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Park, Alfred J.] Microsoft Corp Redmond, Washington, DC USA.
RP Perumalla, KS (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM perumallaks@ornl.gov; alfpark@outlook.com
OI Perumalla, Kalyan/0000-0002-7458-0832
FU National Center for Computational Sciences at Oak Ridge National
Laboratory; Office of Science of the U.S. Dept. of Energy
FX This paper has been authored by UT-Battelle, LLC, under contract
DEACO5-000R22725 with the U.S. Dept. of Energy. Accordingly, the U.S.
Government retains and the publisher, by accepting the article for
publication, acknowledges that the U.S. Government retains a
non-exclusive, paid-up, irrevocable, world-wide license to publish or
reproduce the published form of this manuscript, or allow others to do
so, for U.S. Government purposes. This research used resources of the
National Center for Computational Sciences at Oak Ridge National
Laboratory, supported by the Office of Science of the U.S. Dept. of
Energy.
NR 23
TC 0
Z9 0
U1 0
U2 0
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
BN 978-1-4799-5745-3
PY 2014
BP 585
EP 592
PG 8
WC Computer Science, Information Systems; Telecommunications
SC Computer Science; Telecommunications
GA BB7PI
UT WOS:000345894900009
ER
PT J
AU Zheng, YM
Wang, JX
Hou, YP
Bai, H
Hu, MZ
AF Zheng, Yongmei
Wang, Jingxia
Hou, Yongping
Bai, Hao
Hu, Michael Z.
TI Bioinspired Functional Materials
SO JOURNAL OF NANOMATERIALS
LA English
DT Editorial Material
C1 [Zheng, Yongmei; Hou, Yongping] Beihang Univ, Sch Chem & Environm, Key Lab Bioinspired Smart Interfacial Sci & Techn, Minist Educ, Beijing 100191, Peoples R China.
[Wang, Jingxia] Chinese Acad Sci, Inst Chem, Key Lab Green Printing, Beijing 100190, Peoples R China.
[Bai, Hao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Hu, Michael Z.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Zheng, YM (reprint author), Beihang Univ, Sch Chem & Environm, Key Lab Bioinspired Smart Interfacial Sci & Techn, Minist Educ, Xueyuan Rd 37, Beijing 100191, Peoples R China.
EM zhengym@buaa.edu.cn
OI Hu, Michael/0000-0001-8461-9684
NR 0
TC 0
Z9 0
U1 5
U2 18
PU HINDAWI PUBLISHING CORPORATION
PI NEW YORK
PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA
SN 1687-4110
EI 1687-4129
J9 J NANOMATER
JI J. Nanomater.
PY 2014
AR 986815
DI 10.1155/2014/986815
PG 2
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
SC Science & Technology - Other Topics; Materials Science
GA AW0SS
UT WOS:000346004300001
ER
PT S
AU Olson, D
Bochev, P
Luskin, M
Shapeev, AV
AF Olson, Derek
Bochev, Pavel
Luskin, Mitchell
Shapeev, Alexander V.
BE Lirkov, I
Margenov, S
Wasniewski, J
TI Development of an Optimization-Based Atomistic-to-Continuum Coupling
Method
SO LARGE-SCALE SCIENTIFIC COMPUTING, LSSC 2013
SE Lecture Notes in Computer Science
LA English
DT Proceedings Paper
CT 9th International Conference on Large-Scale Scientific Computations
(LSSC)
CY JUN 03-07, 2013
CL Sozopol, BULGARIA
SP Bulgarian Acad Sci, Inst Informat & Commun Technologies
ID DOMAIN DECOMPOSITION METHOD; EQUATIONS
AB Atomistic-to-Continuum (AtC) coupling methods are a novel means of computing the properties of a discrete crystal structure, such as those containing defects, that combine the accuracy of an atomistic (fully discrete) model with the efficiency of a continuum model. In this note we extend the optimization-based AtC, formulated in [17] for linear, one-dimensional problems to multi-dimensional settings and arbitrary interatomic potentials. We conjecture optimal error estimates for the multidimensional AtC, outline an implementation procedure, and provide numerical results to corroborate the conjecture for a 1D Lennard-Jones system with next-nearest neighbor interactions.
C1 [Bochev, Pavel] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
[Olson, Derek; Luskin, Mitchell; Shapeev, Alexander V.] Univ Minnesota, Minneapolis, MN USA.
RP Bochev, P (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM olso4056@umn.edu; pbboche@sandia.gov; luskin@umn.edu; ashapeev@umn.edu
FU Department of Defense (DoD); National Defense Science & Engineering
Graduate Fellowship (NDSEG); NSF PIRE Grant [OISE-0967140]; DOE
[DESC0002085, SC0002085]; AFOSR [FA9550-12-1-0187]
FX DO was supported by the Department of Defense (DoD) through the National
Defense Science & Engineering Graduate Fellowship (NDSEG) Program. ML
was supported in part by the NSF PIRE Grant OISE-0967140, DOE Award
DESC0002085, and AFOSR Award FA9550-12-1-0187. AS was supported in part
by the DOE Award DE- SC0002085 and AFOSR Award FA9550-12-1-0187.
NR 18
TC 2
Z9 2
U1 1
U2 1
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0302-9743
BN 978-3-662-43880-0; 978-3-662-43879-4
J9 LECT NOTES COMPUT SC
PY 2014
VL 8353
BP 33
EP 44
DI 10.1007/978-3-662-43880-0_3
PG 12
WC Computer Science, Theory & Methods
SC Computer Science
GA BB7JQ
UT WOS:000345642700003
ER
PT S
AU Peterson, K
Bochev, P
Ridzal, D
AF Peterson, Kara
Bochev, Pavel
Ridzal, Denis
BE Lirkov, I
Margenov, S
Wasniewski, J
TI Optimization-Based Conservative Transport on the Cubed-Sphere Grid
SO LARGE-SCALE SCIENTIFIC COMPUTING, LSSC 2013
SE Lecture Notes in Computer Science
LA English
DT Proceedings Paper
CT 9th International Conference on Large-Scale Scientific Computations
(LSSC)
CY JUN 03-07, 2013
CL Sozopol, BULGARIA
SP Bulgarian Acad Sci, Inst Informat & Commun Technologies
AB Transport algorithms are highly important for dynamical modeling of the atmosphere, where it is critical that scalar tracer species are conserved and satisfy physical bounds. We present an optimization-based algorithm for the conservative transport of scalar quantities (i.e. mass) on the cubed sphere grid, which preserves local solution bounds without the use of flux limiters. The optimization variables are the net mass updates to the cell, the objective is to minimize the discrepancy between these variables and suitable high-order cell mass update (the "target"), and the constraints are derived from the local solution bounds and the conservation of the total mass. The resulting robust and efficient algorithm for conservative and local bound-preserving transport on the sphere further demonstrates the flexibility and scope of the recently developed optimization-based modeling approach [1,2].
C1 [Peterson, Kara; Bochev, Pavel; Ridzal, Denis] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Peterson, K (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM kjpeter@sandia.gov; pbboche@sandia.gov; dridzal@sandia.gov
NR 12
TC 0
Z9 0
U1 0
U2 2
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0302-9743
BN 978-3-662-43880-0; 978-3-662-43879-4
J9 LECT NOTES COMPUT SC
PY 2014
VL 8353
BP 205
EP 212
DI 10.1007/978-3-662-43880-0_22
PG 8
WC Computer Science, Theory & Methods
SC Computer Science
GA BB7JQ
UT WOS:000345642700022
ER
PT J
AU Kraus, J
Reichelt, R
Gunther, S
Gregoratti, L
Amati, M
Kiskinova, M
Yulaev, A
Vlassiouk, I
Kolmakov, A
AF Kraus, Juergen
Reichelt, Robert
Guenther, Sebastian
Gregoratti, Luca
Amati, Matteo
Kiskinova, Maya
Yulaev, Alexander
Vlassiouk, Ivan
Kolmakov, Andrei
TI Photoelectron spectroscopy of wet and gaseous samples through graphene
membranes
SO NANOSCALE
LA English
DT Article
ID SCANNING-ELECTRON-MICROSCOPY; AMBIENT-PRESSURE; EMISSION MICROSCOPY;
RADIATION-DAMAGE; HIGH-QUALITY; 1 MBAR; PHOTOEMISSION; INTERFACES;
SURFACES; LIQUID
AB Photoelectron spectroscopy (PES) and microscopy are highly important for exploring morphologically and chemically complex liquid-gas, solid-liquid and solid-gas interfaces under realistic conditions, but the very small electron mean free path inside dense media imposes serious experimental challenges. Currently, near ambient pressure PES is conducted using dexterously designed electron energy analyzers coupled with differentially pumped electron lenses which make it possible to conduct PES measurements at a few hPa. This report proposes an alternative ambient pressure approach that can be applied to a broad class of samples and be implemented in conventional PES instruments. It uses ultrathin electron transparent but molecular impermeable membranes to isolate the high pressure sample environment from the high vacuum PES detection system. We demonstrate that the separating graphene membrane windows are both mechanically robust and sufficiently transparent for electrons in a wide energy range to allow soft X-ray PES of liquid and gaseous water. The performed proof-of-principle experiments confirm the possibility to probe vacuum-incompatible toxic or reactive samples placed inside such hermetic, gas flow or fluidic environmental cells.
C1 [Kraus, Juergen; Reichelt, Robert; Guenther, Sebastian] Tech Univ Munich, Dept Chem, D-85748 Garching, Germany.
[Gregoratti, Luca; Amati, Matteo; Kiskinova, Maya] Elettra Sincrotrone Trieste SCpA, I-34149 Trieste, Italy.
[Yulaev, Alexander] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA.
[Vlassiouk, Ivan] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Yulaev, Alexander; Kolmakov, Andrei] NIST, Ctr Nanoscale Sci & Technol, Gaithersburg, MD 20899 USA.
RP Kolmakov, A (reprint author), NIST, Ctr Nanoscale Sci & Technol, Gaithersburg, MD 20899 USA.
EM andrei.kolmakov@nist.gov
RI Vlassiouk, Ivan/F-9587-2010; Kolmakov, Andrei/B-1460-2017
OI Vlassiouk, Ivan/0000-0002-5494-0386; Kolmakov,
Andrei/0000-0001-5299-4121
FU German Science Foundation (DFG) [GU 521/2-1]
FX The suggestions and comments from Drs N. Zhitenev, Ch. Brown, D. Meier,
R. Sharma and C. Powell (all at NIST) are greatly acknowledged. This
work made extensive use of NIST SRD-82 EAL and NIST-71 IMFP databases,
for which the authors are thankful to Drs C. J. Powell and A. Jablonski.
S. G. gratefully acknowledges financial support from the German Science
Foundation (DFG, contract number GU 521/2-1).
NR 66
TC 15
Z9 15
U1 5
U2 32
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 2014
VL 6
IS 23
BP 14394
EP 14403
DI 10.1039/c4nr03561e
PG 10
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA AT5QR
UT WOS:000344997600040
PM 25333337
ER
PT J
AU Assary, RS
Brushett, FR
Curtiss, LA
AF Assary, Rajeev S.
Brushett, Fikile R.
Curtiss, Larry A.
TI Reduction potential predictions of some aromatic nitrogen-containing
molecules
SO RSC ADVANCES
LA English
DT Article
ID DENSITY-FUNCTIONAL THEORY; REDOX FLOW BATTERY; ELECTRICAL
ENERGY-STORAGE; RESEARCH-AND-DEVELOPMENT; SOLVATION FREE-ENERGIES; LI-S
BATTERIES; DI-N-OXIDES; OXIDATION POTENTIALS; COMPUTATIONAL
ELECTROCHEMISTRY; DECOMPOSITION REACTIONS
AB Accurate quantum chemical methods offer a reliable alternative to time-consuming experimental evaluations for obtaining a priori electrochemical knowledge of a large number of redox active molecules. In this contribution, quantum chemical calculations are performed to investigate the redox behavior of quinoxalines, a promising family of active materials for non-aqueous flow batteries, as a function of substituent group. The reduction potentials of 40 quinoxaline derivatives with a range of electron-donating and electron-withdrawing groups are computed. Calculations indicate the addition of electron-donating groups, particularly alkyl groups, can significantly lower the reduction potential albeit with a concomitant decrease in oxidative stability. A simple descriptor is derived for computing reduction potentials of quinoxaline derivatives from the LUMO energies of the neutral molecules without time-consuming free energy calculations. The relationship was validated for a broader set of aromatic nitrogen-containing molecules including pyrazine, phenazine, bipyridine, pyridine, pyrimidine, pyridazine, and quinoline, suggesting that it is a good starting point for large high-throughput computations to screen reduction windows of novel molecules.
C1 [Assary, Rajeev S.; Brushett, Fikile R.; Curtiss, Larry A.] Argonne Natl Labs, Joint Ctr Energy Storage Res, Argonne, IL 60439 USA.
[Assary, Rajeev S.; Curtiss, Larry A.] Argonne Natl Labs, Div Mat Sci, Argonne, IL 60439 USA.
[Brushett, Fikile R.] MIT, Dept Chem Engn, Cambridge, MA 02139 USA.
RP Assary, RS (reprint author), Argonne Natl Labs, Joint Ctr Energy Storage Res, Argonne, IL 60439 USA.
EM assary@anl.gov
RI Surendran Assary, Rajeev/E-6833-2012
OI Surendran Assary, Rajeev/0000-0002-9571-3307
FU Joint Center for Energy Storage Research, an Energy Innovation Hub -
U.S. Department of Energy, Office of Science, Basic Energy Sciences;
U.S. Department of Energy, Office of Science, Office of 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. We gratefully
acknowledge the computing resources provided on "Blues", a 320-node
computing cluster operated by the Laboratory Computing Resource Center
at Argonne National Laboratory. Use of the Center for Nanoscale
Materials was supported by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, under Contract no.
DE-AC02-06CH11357.
NR 58
TC 14
Z9 14
U1 7
U2 50
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 2014
VL 4
IS 101
BP 57442
EP 57451
DI 10.1039/c4ra08563a
PG 10
WC Chemistry, Multidisciplinary
SC Chemistry
GA AU5MP
UT WOS:000345651600011
ER
PT J
AU Zhao, RN
Yuan, YH
Han, JG
Duan, YH
AF Zhao, Run-Ning
Yuan, Yanhong
Han, Ju-Guang
Duan, Yuhua
TI Actinide elements and germanium: a first-principles density functional
theory investigation of the electronic and magnetic properties of ApGe
(Ap = Ac-Lr) diatoms
SO RSC ADVANCES
LA English
DT Article
ID GROWTH-PATTERNS; CLUSTERS; GEOMETRIES
AB The geometry and electronic and magnetic properties of ApGe (Ap = Ac-Lr) diatoms have been studied using first-principles density functional theory, with relativistic effects being taken into account. The calculated natural populations of ApGe diatoms show that the electronic charge is transferred mainly from Ap to Ge, most of the Ap 5f subshell in ApGe being inert and not involved in chemical bonding. The calculated highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gaps of the ApGe diatoms exhibit an oscillating behavior from AcGe to BkGe, and a slight increase from CfGe to NoGe. The calculated magnetic moments of ApGe show that the total magnetic moment depends mainly on the 5f electrons of Ap in the ApGe diatoms, which generate the magnetic properties. Our calculated results are in good agreement with the published theoretical and experimental data.
C1 [Zhao, Run-Ning; Yuan, Yanhong] Shanghai DianJi Univ, Inst Appl Math & Phys, Shanghai 201306, Peoples R China.
[Han, Ju-Guang] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Peoples R China.
[Duan, Yuhua] US DOE, Natl Energy Technol Lab, Parsons Project Serv Inc, Pittsburgh, PA 15236 USA.
RP Han, JG (reprint author), Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Peoples R China.
EM jghan@ustc.edu.cn
RI Duan, Yuhua/D-6072-2011
OI Duan, Yuhua/0000-0001-7447-0142
FU Natural Science Fund of China [11179035]; Innovation Program of Shanghai
Municipal Education Commission [14YZ164, 12YZ185]; Physical Electronics
Disciplines [12XKJC01]; 973 found of the Chinese Ministry of Science and
Technology [2010CB934504]
FX This study was supported by the Natural Science Fund of China
(11179035), the Innovation Program of Shanghai Municipal Education
Commission (14YZ164 and 12YZ185), the Physical Electronics Disciplines
(12XKJC01), and the 973 found of the Chinese Ministry of Science and
Technology (2010CB934504).
NR 18
TC 4
Z9 4
U1 1
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 2014
VL 4
IS 103
BP 59331
EP 59337
DI 10.1039/c4ra09677k
PG 7
WC Chemistry, Multidisciplinary
SC Chemistry
GA AU5MX
UT WOS:000345652300054
ER
PT J
AU Zhang, P
Klippenstein, SJ
Harding, LB
Sun, HY
Law, CK
AF Zhang, Peng
Klippenstein, Stephen J.
Harding, Lawrence B.
Sun, Hongyan
Law, Chung K.
TI Secondary channels in the thermal decomposition of monomethylhydrazine
(CH3NHNH2)
SO RSC ADVANCES
LA English
DT Article
ID TRANSITION-STATE THEORY; LOW-PRESSURE PYROLYSIS; 2ND-ORDER
PERTURBATION-THEORY; POTENTIAL-ENERGY SURFACES; SHOCK-TUBE; MASTER
EQUATION; TRIPLET-STATES; WAVE-FUNCTIONS; BASIS-SET; KINETICS
AB Mass spectrometric observations in a very low pressure pyrolysis study (Golden et al., Int. J. Chem. Kinet., 1972, 4, 433-448) of the decomposition of the prototypical rocket fuel monomethylhydrazine (MMH) indicated a dominant role for the molecular channels producing NH3 and H-2 and their coproducts. In contrast, a recent ab initio transition state theory based master equation theoretical study (Zhang et al., Proc. Combust. Inst., 2011, 33, 425-432) indicated that simple N-N and C-N bond fissions dominate the kinetics. The possible role of molecular decomposition channels in MMH is explored further through additional investigations of the potential energy surface. These investigations consider the role of triplet channels, of roaming radical channels, and of some previously unexplored pathways for molecular decomposition. New ab initio transition state theory based master equation calculations provide revised predictions for the temperature and pressure dependence of the MMH decomposition kinetics that are in excellent agreement with recent shock tube measurements (Li et al., Comb. Flame, 2014, 161, 16-22). These calculations continue to suggest only a very limited contribution from the molecular elimination channels. A roaming pathway is suggested to provide the dominant route for direct formation of ammonia. The possible role of secondary abstraction reactions in the very-low-pressure pyrolysis experiments is briefly discussed.
C1 [Zhang, Peng] Hong Kong Polytech Univ, Dept Mech Engn, Hong Kong, Hong Kong, Peoples R China.
[Klippenstein, Stephen J.; Harding, Lawrence B.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Sun, Hongyan; Law, Chung K.] Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA.
RP Zhang, P (reprint author), Hong Kong Polytech Univ, Dept Mech Engn, Hong Kong, Hong Kong, Peoples R China.
EM pengzhang.zhang@polyu.edu.hk; sjk@anl.gov
OI Zhang, Peng/0000-0002-1806-4200
FU RGC/ECS [PolyU 5380/13E]; SRFDP [M-PolyU509/13]; RGC ERG
[M-PolyU509/13]; U.S. Army Research Office; Division of Chemical
Sciences, Geosciences, and Biosciences; Office of Basic Energy Sciences;
U.S. Department of Energy [DE-AC02-06CH11357]; Army Research Office
[W911NF1310251]
FX The work at the Hong Kong Polytechnic University was supported by
RGC/ECS (PolyU 5380/13E) and by SRFDP & RGC ERG Joint Research Scheme
(M-PolyU509/13). The work at Princeton University was partially
supported by the U.S. Army Research Office. The collaboration between
Princeton University and the Argonne National Laboratory was facilitated
through the Combustion Energy Frontier Research Center sponsored by the
Department of Energy. The work at Argonne was supported by the Division
of Chemical Sciences, Geosciences, and Biosciences, the Office of Basic
Energy Sciences, the U.S. Department of Energy, under contract number
DE-AC02-06CH11357. Support at ANL for the roaming radical calculations
was provided by the Army Research Office under Grant #W911NF1310251 as
part of their Molecular Structure and Dynamics program.
NR 56
TC 1
Z9 1
U1 4
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 2014
VL 4
IS 108
BP 62951
EP 62964
DI 10.1039/c4ra13131b
PG 14
WC Chemistry, Multidisciplinary
SC Chemistry
GA AU6GJ
UT WOS:000345701500020
ER
PT J
AU Galembeck, F
Burgo, TAL
Balestrin, LBS
Gouveia, RF
Silva, CA
Galembeck, A
AF Galembeck, Fernando
Burgo, Thiago A. L.
Balestrin, Lia B. S.
Gouveia, Rubia F.
Silva, Cristiane A.
Galembeck, Andre
TI Friction, tribochemistry and triboelectricity: recent progress and
perspectives
SO RSC ADVANCES
LA English
DT Review
ID FLOW ELECTRIFICATION PHENOMENON; CHARGED POLYMER-SOLUTIONS;
TRIBO-ELECTRIC SERIES; WATER STORE CHARGE; CONTACT ELECTRIFICATION;
ELECTROSTATIC DISCHARGE; FORCE MICROSCOPY; DIELECTRIC LIQUID; ORGANIC
MATERIALS; POTENTIAL DECAY
AB Production of electricity by friction is well known but poorly understood, and is the source of electrostatic discharge causing serious accidents. Recent results are in agreement with one of the conflicting views on this problem, according to which triboelectricity in polymers is triggered by mechanochemical and wear or mass transfer phenomena. These results also challenge the widely accepted paradigm of one-way charge transfer that is the basis of the triboelectric series. Experimental results from powerful analytical techniques coupled to surface charge mapping support the following hypothesis: charge-bearing species are ionic polymer fragments formed through mechanical action. Beyond this, the atmosphere participates through tribocharge build-up and dissipation due to reactive plasma formation and charge exchange at the gas-solid interface, mediated by adsorption of non-neutral water, or ion partition during water adsorption, as in hygroelectricity phenomena.
C1 [Galembeck, Fernando; Gouveia, Rubia F.; Silva, Cristiane A.] CNPEM, Natl Nanotechnol Lab, Campinas, SP, Brazil.
[Burgo, Thiago A. L.] Argonne Natl Lab, Chicago, IL USA.
[Galembeck, Fernando; Balestrin, Lia B. S.] Univ Estadual Campinas, Inst Chem, Campinas, SP, Brazil.
[Galembeck, Andre] Cetene, Recife, PE, Brazil.
[Galembeck, Andre] Univ Fed Pernambuco, Recife, PE, Brazil.
RP Galembeck, F (reprint author), CNPEM, Natl Nanotechnol Lab, Campinas, SP, Brazil.
EM galembeck@lnnano.cnpem.br
RI Balestrin, Lia/N-2564-2013; Galembeck, Andre/A-6392-2008; Burgo, Thiago
Augusto Lima/G-2080-2012; Galembeck, Fernando/D-9509-2012
OI Balestrin, Lia/0000-0002-5851-6128; Galembeck,
Andre/0000-0002-6361-9869; Burgo, Thiago Augusto
Lima/0000-0003-2521-3574; Galembeck, Fernando/0000-0003-4778-5442
FU Fapesp
FX The authors thank CNPq and Fapesp (Brazil) for support through Inomat,
National Institute (INCT) for Complex Functional Materials. L. B. S. B.
holds a fellowship from Fapesp.
NR 173
TC 11
Z9 12
U1 17
U2 87
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 2014
VL 4
IS 109
BP 64280
EP 64298
DI 10.1039/c4ra09604e
PG 19
WC Chemistry, Multidisciplinary
SC Chemistry
GA AU6GX
UT WOS:000345702900091
ER
PT J
AU Hong, YZ
Zhang, JY
Wang, ZY
Stankovich, JJ
Jin, XB
AF Hong, Yanzhong
Zhang, Jianyin
Wang, Zhiyong
Stankovich, Joseph J.
Jin, Xianbo
TI Facile synthesis of graphene-clamped nanostructured SnO2 materials for
lithium-ion batteries
SO RSC ADVANCES
LA English
DT Article
ID ANODE MATERIAL; GRAPHITE OXIDE; HIGH-CAPACITY; SNO2/GRAPHENE COMPOSITE;
STORAGE; NANOCOMPOSITES; SHEETS; NANOPARTICLES; STABILITY; FILMS
AB Graphene-based composite materials have attracted considerable interest due to their exceptional performance in various applications. However, the present synthesis processes, usually via graphene oxide (GO), are still very expensive. Here we propose an easy and affordable strategy based on sulfuric-acid-intercalated GO (SIGO) for the preparation of graphene-clamped nano-SnO2 (GCSnO(2)) with high performance for lithium-ion batteries. SIGO is the direct and readily available intermediate product during the oxidation of graphite in sulfuric acid, but has been overlooked for nearly a century. In the past, SIGO was washed to produce clean GO with great difficulties. An interesting characteristic of SIGO that we have found is its easy expansion and exfoliation to high-quality graphene at very low temperatures (just above 100 degrees C). In this work, GCSnO(2) containing 55 wt% SnO2 nanoparticles (5-10 nm in diameter) has been prepared by the expansion and exfoliation of nano-SnO2 coated SIGO at 300 degrees C in air. The samples have been characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and thermogravimetric analysis (TGA). The initial reversible charge-discharge capacity of GCSnO(2) was 858 mA h g(-1) at a current density of 200 mA h g(-1) in the potential range between 0.02 and 2.00 V. The capacity decayed to about 600 mA h g(-1) after 10 cycles and then remained almost unchanged; 572 mA h g(-1) remained after the studied 270 cycles. The contribution of SnO2 was estimated to be about 800 mA h g(-1) during cycling, corresponding to the full and stable utilization of the theoretical capacity of SnO2.
C1 [Hong, Yanzhong; Zhang, Jianyin; Wang, Zhiyong; Jin, Xianbo] Wuhan Univ, Hubei Key Lab Electrochem Power Sources, Coll Chem & Mol Sci, Wuhan 430072, Peoples R China.
[Stankovich, Joseph J.; Jin, Xianbo] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Wang, ZY (reprint author), Wuhan Univ, Hubei Key Lab Electrochem Power Sources, Coll Chem & Mol Sci, Wuhan 430072, Peoples R China.
EM whu_wangzy@sina.com; xbjin@whu.edu.cn
OI Jin, Xianbo/0000-0002-3095-8979
FU NSFCs [21173161, 20973130]; 863 project [2009AA03Z503]; MOE Program
[NCET-11-0397]; Fundamental Research Funds for the Central Universities
of Wuhan University
FX This work is supported by NSFCs (21173161, 20973130), the 863 project
(2009AA03Z503), the MOE Program (NCET-11-0397), and the Fundamental
Research Funds for the Central Universities of Wuhan University.
NR 50
TC 5
Z9 5
U1 0
U2 25
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 2014
VL 4
IS 110
BP 64402
EP 64409
DI 10.1039/c4ra10120k
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA AU8DG
UT WOS:000345826100004
ER
PT J
AU Feng, Z
McBriarty, ME
Mane, AU
Lu, J
Stair, PC
Elam, JW
Bedzyk, MJ
AF Feng, Z.
McBriarty, M. E.
Mane, A. U.
Lu, J.
Stair, P. C.
Elam, J. W.
Bedzyk, M. J.
TI Redox-driven atomic-scale changes in mixed catalysts: VOX/WOX/alpha-TiO2
(110)
SO RSC ADVANCES
LA English
DT Article
ID RAY STANDING-WAVE; SURFACE-STRUCTURE DETERMINATION; (WO3)(3) CLUSTERS;
OXIDE CATALYSTS; V-O-W/TI(SN)O-2 CATALYST; SELECTIVE OXIDATION; NO
DECOMPOSITION; AMBIENT-PRESSURE; METAL-CATALYSTS; SCR CATALYSTS
AB X-ray studies of vanadium-tungsten mixed-monolayer-oxide catalysts grown on the rutile alpha-TiO2 (110) single crystal surface show redox behavior not observed for lone supported vanadium or tungsten oxides. Two cases are presented: sub-monolayer (sub-ML) vanadium oxide (vanadia) grown on ML tungsten oxide and ML vanadia grown on sub-ML tungsten oxide. The X-ray standing wave (XSW) and Xray photoelectron spectroscopy (XPS) observations for both cases show coverage-dependent reversible redox-induced atomic-scale structural and chemical state changes. Atomic force microscopy shows that the mixed VOX/WOX overlayers have a conformal film-like structure in the as-deposited state. XSW analysis in light of XPS reveals that the V and W cations that are uncorrelated with the substrate lattice play an important role in catalytic redox reactions. Distinct differences in the redox-induced changes for these two mixed catalysts result from tuning the ratio of V to W, and relationships are drawn between the catalyst composition, structure, and chemistry. Comparison of these V-W mixed cases and the corresponding unmixed cases reveals a synergistic effect in which the reduction of W can be significantly enhanced by the addition of V.
C1 [Feng, Z.; McBriarty, M. E.; Bedzyk, M. J.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA.
[Feng, Z.] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA.
[Mane, A. U.; Lu, J.; Elam, J. W.] Argonne Natl Lab, Div Energy Syst, Lemont, IL 60439 USA.
[Stair, P. C.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.
[Bedzyk, M. J.] Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA.
RP Bedzyk, MJ (reprint author), Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA.
EM bedzyk@northwestern.edu
RI Feng, Zhenxing/J-7457-2013; Lu, Junling/F-3791-2010
OI Feng, Zhenxing/0000-0001-7598-5076; Lu, Junling/0000-0002-7371-8414
FU Institute for Catalysis in Energy Processes at Northwestern University
(U.S. Department of Energy) [DE-FG02-03ER15457]; National Science
Foundation Graduate Research Fellowship [DGE-0824162]; Institute for
Atom-efficient Chemical Transformations (IACT); U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences; E.I. duPont
de Nemours & Co., Northwestern University; Dow Chemical Co.,; State of
Illinois through the Department of Commerce and the Board of Education
(HECA); US National Science Foundation through the MRSEC (NSF)
[DMR-1121262]; US Department of Energy Office [DE-AC02-06CH11357]
FX This work was supported by the Institute for Catalysis in Energy
Processes at Northwestern University (U.S. Department of Energy under
contract DE-FG02-03ER15457) and a National Science Foundation Graduate
Research Fellowship under Grant no. DGE-0824162 to MEM. This material is
based upon work supported as part of the Institute for Atom-efficient
Chemical Transformations (IACT), an Energy Frontier Research Center
funded by the U.S. Department of Energy, Office of Science, Office of
Basic Energy Sciences. Synchrotron X-ray measurements were performed at
the Argonne National Laboratory (ANL) Advanced Photon Source, Sector 5
(DND-CAT) and Sector 33. DND-CAT is supported by E.I. duPont de Nemours
& Co., Northwestern University, The Dow Chemical Co., the State of
Illinois through the Department of Commerce and the Board of Education
(HECA), and the US National Science Foundation through the MRSEC (NSF
Award DMR-1121262). ANL is supported by the US Department of Energy
Office under contract DE-AC02-06CH11357. AFM and XPS were carried out at
the NIFTI and Keck-II facilities of NUANCE at Northwestern University.
The authors are thankful for technical assistance at DND-CAT by Dr Denis
Keane and for useful discussions with Dr Chang-Yong Kim and Prof.
Kenneth Poeppelmeier.
NR 62
TC 5
Z9 5
U1 5
U2 27
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 2014
VL 4
IS 110
BP 64608
EP 64616
DI 10.1039/c4ra14140g
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA AU8DG
UT WOS:000345826100028
ER
PT S
AU Goncalves, A
Ong, I
Lewis, JA
Costa, VS
AF Goncalves, Antonio
Ong, Irene
Lewis, Jeffrey A.
Costa, Vitor Santos
GP IEEE
TI Towards using Probabilities and Logic to Model Regulatory Networks
SO 2014 IEEE 27TH INTERNATIONAL SYMPOSIUM ON COMPUTER-BASED MEDICAL SYSTEMS
(CBMS)
SE IEEE International Symposium on Computer-Based Medical Systems
LA English
DT Proceedings Paper
CT 27th IEEE International Symposium on Computer-Based Medical Systems
(CBMS)
CY MAY 27-29, 2014
CL Icahn Sch Med, New York, NY
SP IEEE, IEEE Comp Soc, Texas Tech Univ, IBMWATSON
HO Icahn Sch Med
DE Bioinformatics; Gene Regulation; Genomics; Network/Pathway Analysis;
Statistical Relational Learning
ID SACCHAROMYCES-CEREVISIAE; EXPRESSION; YEAST; HOG1
AB Transcriptional regulation plays an important role in every cellular decision. Unfortunately, understanding the dynamics that govern how a cell will respond to diverse environmental cues is difficult using intuition alone. We introduce logic-based regulation models based on state-of-the-art work on statistical relational learning, and validate our approach by using it to analyze time-series gene expression data of the Hog1 pathway. Our results show that plausible regulatory networks can be learned from time series gene expression data using a probabilistic logical model. Hence, network hypotheses can be generated from existing gene expression data for use by experimental biologists.
C1 [Goncalves, Antonio; Costa, Vitor Santos] Univ Porto, Fac Sci, CRACS INESC TEC, P-4169007 Oporto, Portugal.
[Ong, Irene] Univ Wisconsin, Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA.
[Lewis, Jeffrey A.] Univ Arkansas, Dept Biol Sci, Fayetteville, AR 72701 USA.
RP Goncalves, A (reprint author), Univ Porto, Fac Sci, CRACS INESC TEC, P-4169007 Oporto, Portugal.
EM up201008720@alunos.dcc.fc.up.pt; ong@cs.wisc.edu; lewisja@uark.edu;
vsc@dcc.fc.up.pt
FU National Funds through the FCT-Fundacau para a Ciencia e Tecnologia
[ADE: PTDC/EIA-EIA/121686/2010, ABLe: PTDC/EEI-SII/2094/2012]; US 760
Department of Energy (DOE) Great Lakes Bioenergy Research Center
[DE-FCO2-07ER64494]
FX This work was funded by National Funds through the FCT-Fundacau para a
Ciencia e Tecnologia (Portuguese Foundation for Science and Technology)
within project ADE: PTDC/EIA-EIA/121686/2010
(FCOMP-01-0124FEDER-020575), project ABLe: PTDC/EEI-SII/2094/2012
(FCOMP-01-0124-FEDER-029010) and by the US 760 Department of Energy
(DOE) Great Lakes Bioenergy Research Center (DOE BER 761 Office of
Science DE-FCO2-07ER64494).
NR 19
TC 0
Z9 0
U1 0
U2 1
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 2372-9198
BN 978-1-4799-4435-4
J9 COMP MED SY
PY 2014
BP 239
EP 242
DI 10.1109/CBMS.2014.9
PG 4
WC Computer Science, Information Systems; Computer Science,
Interdisciplinary Applications; Engineering, Biomedical
SC Computer Science; Engineering
GA BB6ZP
UT WOS:000345222200047
ER
PT S
AU Chartrand, R
AF Chartrand, Rick
GP IEEE
TI SHRINKAGE MAPPINGS AND THEIR INDUCED PENALTY FUNCTIONS
SO 2014 IEEE INTERNATIONAL CONFERENCE ON ACOUSTICS, SPEECH AND SIGNAL
PROCESSING (ICASSP)
SE International Conference on Acoustics Speech and Signal Processing
ICASSP
LA English
DT Proceedings Paper
CT IEEE International Conference on Acoustics, Speech and Signal Processing
(ICASSP)
CY MAY 04-09, 2014
CL Florence, ITALY
SP IEEE
DE Compressive sensing; sparse representations; shrinkage; nonconvex
optimization; alternating direction method of multipliers
ID LINEAR INVERSE PROBLEMS; THRESHOLDING ALGORITHM; IMAGE-RESTORATION;
RECONSTRUCTION; MINIMIZATION
AB Many optimization problems that are designed to have sparse solutions employ the l(1) or l(0) penalty functions. Consequently, several algorithms for compressive sensing or sparse representations make use of soft or hard thresholding, both of which are examples of shrinkage mappings. Their usefulness comes from the fact that they are the proximal mappings of the l(1) and l(0) penalty functions, meaning that they provide the solution to the corresponding penalized least-squares problem. In this paper, we both generalize and reverse this process: we show that one can begin with any of a wide class of shrinkage mappings, and be guaranteed that it will be the proximal mapping of a penalty function with several desirable properties. Such a shrinkage-mapping/penalty-function pair comes ready-made for use in efficient algorithms. We give an example of such a shrinkage mapping, and use it to advance the state of the art in compressive sensing.
C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Chartrand, R (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
NR 21
TC 0
Z9 0
U1 0
U2 0
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 1520-6149
BN 978-1-4799-2893-4
J9 INT CONF ACOUST SPEE
PY 2014
PG 5
WC Acoustics; Engineering, Electrical & Electronic
SC Acoustics; Engineering
GA BB5BJ
UT WOS:000343655301009
ER
PT S
AU McClanahan, RD
Stewart, B
De Leon, PL
AF McClanahan, Richard D.
Stewart, Bryan
De Leon, Phillip L.
GP IEEE
TI PERFORMANCE OF I-VECTOR SPEAKER VERIFICATION AND THE DETECTION OF
SYNTHETIC SPEECH
SO 2014 IEEE INTERNATIONAL CONFERENCE ON ACOUSTICS, SPEECH AND SIGNAL
PROCESSING (ICASSP)
SE International Conference on Acoustics Speech and Signal Processing
ICASSP
LA English
DT Proceedings Paper
CT IEEE International Conference on Acoustics, Speech and Signal Processing
(ICASSP)
CY MAY 04-09, 2014
CL Florence, ITALY
SP IEEE
DE Speech synthesis; Speaker recognition; Security
AB In this paper, we present new research results on the vulnerability of speaker verification (SV) systems to synthetic speech. Using a state-of-the-art i-vector SV system and evaluating with the Wall-Street Journal (WSJ) corpus, our SV system has a 0.00% false rejection rate (FRR) and 1.74 x 10(-5) false acceptance rate (FAR). When the i-vector system is tested with state-of-the-art speaker-adaptive, hidden Markov model (HMM)-based synthetic speech generated from speaker models derived from the WSJ journal corpus, 22.9% of the matched claims are accepted highlighting the vulnerability of SV systems to synthetic speech. We propose a new synthetic speech detector (SSD) which uses previously-proposed features derived from image analysis of pitch patterns but extracted on phoneme-level segments and which leverages the available enrollment speech from the SV system. When the SSD is applied to human and synthetic speech accepted by the SV system, the overall system has a FRR of 7.35% and a FAR of 2.34 x 10(-4) which is lower than previously-reported systems and thus significantly reduces the vulnerability.
C1 [McClanahan, Richard D.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP McClanahan, RD (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM rmcclan@sandia.gov; brystewa@nmsu.edu; pdeleon@nmsu.edu
NR 23
TC 0
Z9 0
U1 0
U2 1
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 1520-6149
BN 978-1-4799-2893-4
J9 INT CONF ACOUST SPEE
PY 2014
PG 5
WC Acoustics; Engineering, Electrical & Electronic
SC Acoustics; Engineering
GA BB5BJ
UT WOS:000343655303164
ER
PT S
AU Thiagarajan, JJ
Bremer, PT
Ramamurthy, KN
AF Thiagarajan, Jayaraman J.
Bremer, Peer-Timo
Ramamurthy, Karthikeyan Natesan
GP IEEE
TI MULTIPLE KERNEL INTERPOLATION FOR INVERTING NON-LINEAR DIMENSIONALITY
REDUCTION AND DIMENSION ESTIMATION
SO 2014 IEEE INTERNATIONAL CONFERENCE ON ACOUSTICS, SPEECH AND SIGNAL
PROCESSING (ICASSP)
SE International Conference on Acoustics Speech and Signal Processing
ICASSP
LA English
DT Proceedings Paper
CT IEEE International Conference on Acoustics, Speech and Signal Processing
(ICASSP)
CY MAY 04-09, 2014
CL Florence, ITALY
SP IEEE
DE manifold learning; inverse map; kernel interpolation; intrinsic
dimension estimation
AB The problem of stably inverting a non-linear dimensionality reduction map has applications in data visualization and machine learning, besides being of theoretical interest. In this paper, we propose a meshfree interpolation method for obtaining such inverse maps using a non-negative linear combination of multiple interpolants. We show that the proposed scheme can improve upon the approximation power of its individual constituent kernels, and discuss the conditions under which its parameters can be uniquely estimated. We also provide an approach for estimating the intrinsic dimensionality (ID) of manifolds using the proposed inverse map. Experiments using multiple kernel interpolation for reconstruction of novel test data and ID estimation show an improved or similar performance compared to existing techniques.
C1 [Thiagarajan, Jayaraman J.; Bremer, Peer-Timo] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Thiagarajan, JJ (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
EM jayaramanthi1@llnl.gov; bremer5@llnl.gov; knatesa@us.ibm.com
NR 11
TC 0
Z9 0
U1 0
U2 1
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 1520-6149
BN 978-1-4799-2893-4
J9 INT CONF ACOUST SPEE
PY 2014
PG 5
WC Acoustics; Engineering, Electrical & Electronic
SC Acoustics; Engineering
GA BB5BJ
UT WOS:000343655306158
ER
PT S
AU Wohlberg, B
AF Wohlberg, Brendt
GP IEEE
TI EFFICIENT CONVOLUTIONAL SPARSE CODING
SO 2014 IEEE INTERNATIONAL CONFERENCE ON ACOUSTICS, SPEECH AND SIGNAL
PROCESSING (ICASSP)
SE International Conference on Acoustics Speech and Signal Processing
ICASSP
LA English
DT Proceedings Paper
CT IEEE International Conference on Acoustics, Speech and Signal Processing
(ICASSP)
CY MAY 04-09, 2014
CL Florence, ITALY
SP IEEE
DE Sparse Representation; Sparse Coding; Convolutional Sparse Coding; ADMM
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 the independent sparse coding of each patch results in a representation that is not optimal for the image as a whole. A recent development is convolutional sparse coding, in which a sparse representation for 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. A disadvantage of this formulation is its computational expense, but the development of efficient algorithms has received some attention in the literature, with the current leading method exploiting a Fourier domain approach. The present paper introduces a new way of solving the problem in the Fourier domain, leading to substantially reduced computational cost.
C1 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.
NR 16
TC 0
Z9 0
U1 0
U2 1
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 1520-6149
BN 978-1-4799-2893-4
J9 INT CONF ACOUST SPEE
PY 2014
PG 5
WC Acoustics; Engineering, Electrical & Electronic
SC Acoustics; Engineering
GA BB5BJ
UT WOS:000343655307042
ER
PT S
AU Walczak, KA
Hutchins, MJ
Dornfeld, D
AF Walczak, Karl A.
Hutchins, Margot J.
Dornfeld, David
BE Lien, TK
TI Energy System Design to Maximize Net Energy Production Considering
Uncertainty in Scale-up: A case study in artificial photosynthesis
SO 21ST CIRP CONFERENCE ON LIFE CYCLE ENGINEERING
SE Procedia CIRP
LA English
DT Proceedings Paper
CT 21st CIRP Conference on Life Cycle Engineering (CIRP LCE)
CY JUN 18-20, 2014
CL Trondheim, NORWAY
SP CIRP
DE Energy Payback; Life Cycle Assessment; Scale-up; Solar Fuels; Artificial
Photosynthesis
ID HYDROGEN-PRODUCTION; SOLAR-ENERGY; WATER; CHALLENGES; DEVICE
AB Increasing energy demands coupled with decreasing resources and increased concerns about the long-term impacts of energy production are driving the development and full-scale implementation of new energy production systems. In general, several considerations must be addressed to move technology from the prototype phase to complete deployment, while ensuring adequate return on investment. These considerations include: availability of capable manufacturing processes, appropriate material selection, and supply chain resiliency. For new energy production systems, it is also important to evaluate net energy production and life cycle impacts. There is significant uncertainty associated with each of these considerations. This paper proposes a framework for maximizing net energy production in full-scale systems considering these uncertainties. The utility of the framework is demonstrated through a case study focused on an analysis of prototyping and scale-up of artificial photosynthesis as a solar-fuel generator. (C) 2014 Published by Elsevier B.V.
C1 [Walczak, Karl A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Hutchins, Margot J.; Dornfeld, David] Univ Calif, Lab Mfg & Sustainabil, Berkeley, CA USA.
RP Walczak, KA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM kawalczak@lbl.gov
FU DOE Energy Innovation Hub; Office of Science of the U.S. Department of
Energy [DE5C0004993]; Sustainable Manufacturing Partnership of the
Laboratory; Manufacturing and Sustainability at University of
California, Berkeley
FX A portion of 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 DE5C0004993. The authors gratefully acknowledge the
support of the Sustainable Manufacturing Partnership of the Laboratory
for Manufacturing and Sustainability at University of California,
Berkeley for support of this research. Additional details can be found
at lmas.berkeley.edu.
NR 29
TC 2
Z9 2
U1 0
U2 4
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 2212-8271
J9 PROC CIRP
PY 2014
VL 15
BP 306
EP 312
DI 10.1016/j.procir.2014.06.032
PG 7
WC Engineering, Industrial
SC Engineering
GA BB7EG
UT WOS:000345432400052
ER
PT S
AU Noble, J
Walczak, K
Dornfeld, D
AF Noble, Joanna
Walczak, Karl
Dornfeld, David
BE Dornfeld, D
Helu, M
TI Rapid tooling injection molded prototypes: a case study in artificial
photosynthesis technology
SO 6TH CIRP INTERNATIONAL CONFERENCE ON HIGH PERFORMANCE CUTTING (HPC2014)
SE Procedia CIRP
LA English
DT Proceedings Paper
CT 6th CIRP International Conference on High Performance Cutting (HPC)
CY JUN 23-25, 2014
CL Univ Calif, Berkeley & Davis Campuses, Berkeley, CA
SP CIRP
HO Univ Calif, Berkeley & Davis Campuses
DE Injection molding; Optical prototypes; Rapid tooling; Surface finish; 3D
printing
AB In this paper we will explores techniques for fabricating optical components for use in an artificial photosynthesis prototype. Specifically, methods were developed for creating rapid tooling to injection mold optics. Three mold fabrication methods were compared: CNC machining of plastic, CNC machining of aluminum, and 3D printing of plastic. For the 3D printed parts, three finishes processes were explored: hot-pressing with a steel shaft, coating with printer resin, and mechanically polishing with a scraper and buffer. Mold fabrication and finishing methods were evaluated based on speed, difficulty and quality. From this preliminary investigation, resin-coated 3D printed molds show promise for use in rapid tooling for injection molding. (C) 2014 Published by Elsevier B.V.
C1 [Noble, Joanna; Dornfeld, David] Univ Calif Berkeley, 1115 Etcheverry Hall, Berkeley, CA 94720 USA.
[Walczak, Karl] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial PhotoSynthesis, Berkeley, CA 94720 USA.
RP Dornfeld, D (reprint author), Univ Calif Berkeley, 1115 Etcheverry Hall, Berkeley, CA 94720 USA.
EM dornfeld@berkeley.edu
FU Joint Center for Artificial Photosynthesis; DOE Energy Innovation Hub
through the Office of Science of the U.S. Department of Energy
[DE5C0004993]; National Science Foundation Graduate Research Fellowship
[DGE 1106400]
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 DE5C0004993. This material is based upon work supported by
the National Science Foundation Graduate Research Fellowship under Grant
No. DGE 1106400.
NR 8
TC 3
Z9 3
U1 5
U2 18
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 2212-8271
J9 PROC CIRP
PY 2014
VL 14
BP 251
EP 256
DI 10.1016/j.procir.2014.03.035
PG 6
WC Engineering, Industrial
SC Engineering
GA BB7ES
UT WOS:000345439400044
ER
PT J
AU Beletskiy, EV
Shen, ZL
Riofski, MV
Hou, XL
Gallagher, JR
Miller, JT
Wu, Y
Kung, HH
Kung, MC
AF Beletskiy, Evgeny V.
Shen, Zhongliang
Riofski, Mark V.
Hou, Xianliang
Gallagher, James R.
Miller, Jeffrey T.
Wu, Yuyang
Kung, Harold H.
Kung, Mayfair C.
TI Tetrahedral Sn-silsesquioxane: synthesis, characterization and catalysis
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID BAEYER-VILLIGER OXIDATIONS; HIGHLY-ACTIVE CATALYSTS; LEWIS-ACID
ZEOLITES; POLYHEDRAL OLIGOSILSESQUIOXANES; BETA; EPOXIDATION;
REACTIVITY; COMPLEXES; CHEMISTRY; ETHYLENE
AB A tetrahedral stannasilsesquioxane complex was synthesized as a racemic mixture using Sn((OPr)-Pr-i)(4) and silsesquioxanediol, and its structure was confirmed with X-ray crystallography, NMR, and EXAFS. The complex was a Lewis acid, and both anti and synbinding with Lewis bases were possible with the formation of octahedral Sn complexes. It was also a Lewis acid catalyst active for epoxide ring opening and hydride transfer.
C1 [Beletskiy, Evgeny V.; Shen, Zhongliang; Riofski, Mark V.; Hou, Xianliang; Kung, Harold H.; Kung, Mayfair C.] Northwestern Univ, Dept Chem & Biol Engn, Evanston, IL 60208 USA.
[Hou, Xianliang] Northwestern Polytech Univ, Xian 710072, Peoples R China.
[Gallagher, James R.; Miller, Jeffrey T.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60429 USA.
[Wu, Yuyang] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.
RP Kung, HH (reprint author), Northwestern Univ, Dept Chem & Biol Engn, Evanston, IL 60208 USA.
EM hkung@northwestern.edu; m-kung@northwestern.edu
RI Gallagher, James/E-4896-2014
OI Gallagher, James/0000-0002-5628-5178
FU Department of Energy, Basic Energy Sciences [DE-FG02-01ER15184];
Institute for Atom-efficient Chemical Transformations (IACT); U. S.
Department of Energy, Office of Science, Office of Basic Energy
Sciences; U. S. Department of Energy, Office of Basic Energy Sciences
[DE-AC02-06CH11357]; Department of Energy; MRCAT member institutions;
China Scholarship Council
FX This work was supported by the Department of Energy, Basic Energy
Sciences, grant no. DE-FG02-01ER15184 and also based on work supported
as part of the Institute for Atom-efficient Chemical Transformations
(IACT), an Energy Frontier Research Center funded by the U. S.
Department of Energy, Office of Science, Office of Basic Energy
Sciences. Use of the Advanced Photon Source was supported by the U. S.
Department of Energy, Office of Basic Energy Sciences, under contract
No. DE-AC02-06CH11357. MRCAT operations are supported by the Department
of Energy and the MRCAT member institutions. X. H. acknowledges China
Scholarship Council. This work made use of the IMSERC facility at
Northwestern University.
NR 26
TC 9
Z9 9
U1 5
U2 31
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 2014
VL 50
IS 99
BP 15699
EP 15701
DI 10.1039/c4cc07897g
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA AU0IB
UT WOS:000345305600010
PM 25360661
ER
PT J
AU Yue, YF
Binder, AJ
Song, RJ
Cui, YJ
Chen, JH
Hensley, DK
Dai, S
AF Yue, Yanfeng
Binder, Andrew J.
Song, Ruijing
Cui, Yuanjing
Chen, Jihua
Hensley, Dale K.
Dai, Sheng
TI Encapsulation of large dye molecules in hierarchically superstructured
metal-organic frameworks
SO DALTON TRANSACTIONS
LA English
DT Article
ID TEMPLATE-FREE SYNTHESIS; CARBON-DIOXIDE; MECHANOCHEMICAL SYNTHESIS;
IMIDAZOLATE FRAMEWORKS; HYDROGEN STORAGE; METHANE STORAGE; THIN-FILMS;
PORE-SIZE; DESIGN; ADSORPTION
AB Microporous metal-organic frameworks (MOFs) represent a new family of microporous materials, offering potential applications in gas separation and storage, catalysis, and membranes. The engineering of hierarchical superstructured MOFs, i.e., fabricating mesopores in microporous frameworks during the crystallization stage is expected to serve a myriad of applications for molecular adsorption, drug delivery, and catalysis. However, MOFs with mesopores are rarely studied because of the lack of a simple, effective way to construct mesoscale cavities in the structures. Here, we report the use of a perturbation-assisted nanofusion technique to construct hierarchically superstructured MOFs. In particular, the mesopores in the MOF structure enabled the confinement of large dye species, resulting in fluorescent MOF materials, which can serve as a new type of ratiometric luminescent sensors for typical volatile organic compounds.
C1 [Yue, Yanfeng; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Binder, Andrew J.; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
[Song, Ruijing; Cui, Yuanjing] Zhejiang Univ, Dept Mat Sci & Engn, Cyrus Tang Ctr Sensor Mat & Applicat, State Key Lab Silicon Mat, Hangzhou 310027, Zhejiang, Peoples R China.
[Chen, Jihua; Hensley, Dale K.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Cui, YJ (reprint author), Zhejiang Univ, Dept Mat Sci & Engn, Cyrus Tang Ctr Sensor Mat & Applicat, State Key Lab Silicon Mat, Hangzhou 310027, Zhejiang, Peoples R China.
EM cuiyj@zju.edu.cn; dais@ornl.gov
RI Chen, Jihua/F-1417-2011; Hensley, Dale/A-6282-2016; Dai,
Sheng/K-8411-2015
OI Chen, Jihua/0000-0001-6879-5936; Hensley, Dale/0000-0001-8763-7765; Dai,
Sheng/0000-0002-8046-3931
FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of
Basic Energy Sciences, US Department of Energy [DE-AC0500OR22725]; Oak
Ridge National Laboratory; Division of Scientific User Facilities,
Office of Basic Energy Sciences, US Department of Energy
FX This research was sponsored by the Division of Chemical Sciences,
Geosciences, and Biosciences, Office of Basic Energy Sciences, US
Department of Energy, under Contract DE-AC0500OR22725 with Oak Ridge
National Laboratory, which is managed and operated by UT-Battelle, LLC.
A portion of this research was conducted at the Center for Nanophase
Materials Sciences, which is sponsored at Oak Ridge National Laboratory
by the Division of Scientific User Facilities, Office of Basic Energy
Sciences, US Department of Energy.
NR 73
TC 14
Z9 14
U1 7
U2 125
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 2014
VL 43
IS 48
BP 17893
EP 17898
DI 10.1039/c4dt02516d
PG 6
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA AU2MY
UT WOS:000345453700003
PM 25301034
ER
PT J
AU Le Vot, S
Dambournet, D
Groult, H
Ngo, AT
Petit, C
Rizzi, C
Salzemann, C
Sirieix-Plenet, J
Borkiewicz, OJ
Raymundo-Pinero, E
Gaillon, L
AF Le Vot, Steven
Dambournet, Damien
Groult, Henri
Anh-tu Ngo
Petit, Christophe
Rizzi, Cecile
Salzemann, Caroline
Sirieix-Plenet, Juliette
Borkiewicz, Olaf J.
Raymundo-Pinero, Encarnacion
Gaillon, Laurent
TI Synthesis of tin nanocrystals in room temperature ionic liquids
SO DALTON TRANSACTIONS
LA English
DT Article
ID TRANSITION-METAL NANOPARTICLES; ELECTROCHEMICAL LITHIATION; PLATINUM
NANOPARTICLES; GOLD NANOPARTICLES; NEGATIVE-ELECTRODE; ANODE MATERIALS;
BATTERY ANODES; ORGANIC MEDIUM; SN ALLOYS; CO-SN
AB The aim of this work was to investigate the synthesis of tin nanoparticles (NPs) or tin/carbon composites, in room temperature ionic liquids (RTILs), that could be used as structured anode materials for Li-ion batteries. An innovative route for the synthesis of Sn nanoparticles in such media is successfully developed. Compositions, structures, sizes and morphologies of NPs were characterized by high-energy X-ray diffraction (HEXRD), X-ray photoelectron spectroscopy (XPS) and high-resolution transmission electron microscopy (HRTEM). Our findings indicated that (i) metallic tetragonal beta-Sn was obtained and (ii) the particle size could be tailored by tuning the nature of the RTILs, leading to nano-sized spherical particles with a diameter ranging from 3 to 10 nm depending on synthesis conditions. In order to investigate carbon composite materials for Li-ion batteries, Sn nanoparticles were successfully deposited on the surface of multi-wall carbon nanotubes (MWCNT). Moreover, electrochemical properties have been studied in relation to a structural study of the nanocomposites. The poor electrochemical performances as a negative electrode in Li-ion batteries is due to a significant amount of RTIL trapped within the pores of the nanotubes as revealed by XPS investigations. This dramatically affected the gravimetric capacity of the composites and limited the diffusion of lithium. The findings of this work however offer valuable insights into the exciting possibilities for synthesis of novel nano-sized particles and/or alloys (e.g. Sn-Cu, Sn-Co, Sn-Ni, etc.) and the importance of carbon morphology in metal pulverization during the alloying/dealloying process as well as prevention of ionic liquid trapping.
C1 [Le Vot, Steven; Dambournet, Damien; Groult, Henri; Rizzi, Cecile; Sirieix-Plenet, Juliette; Gaillon, Laurent] Univ Paris 06, Sorbonne Univ, PHENIX, UMR 8234, F-75005 Paris, France.
[Le Vot, Steven; Dambournet, Damien; Groult, Henri; Rizzi, Cecile; Sirieix-Plenet, Juliette; Gaillon, Laurent] CNRS, UMR 8234, PHENIX, F-75005 Paris, France.
[Le Vot, Steven; Anh-tu Ngo; Petit, Christophe; Salzemann, Caroline] Univ Paris 06, Sorbonne Univ, MONARIS, UMR 8233, F-75005 Paris, France.
[Dambournet, Damien] MONARIS, UMR 8233, CNRS, F-75005 Paris, France.
[Borkiewicz, Olaf J.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA.
[Raymundo-Pinero, Encarnacion] CNRS Orleans, CEMHTI, F-45071 Orleans 02, France.
RP Le Vot, S (reprint author), Univ Paris 06, Sorbonne Univ, PHENIX, UMR 8234, 4 Pl Jussieu, F-75005 Paris, France.
EM steven.levot@gmail.com
RI Le Vot, Steven/O-2990-2016
OI Le Vot, Steven/0000-0001-8752-7590
FU LabEx MiChem [ANR-11-IDEX-0004-02]; "Centre National de la Recherche
Scientifique" (CNRS); US DOE [DE-AC02-06CH11357]
FX This work was supported by the LabEx MiChem part of French state funds
managed by the ANR within the Investissements d'Avenir programme under
reference ANR-11-IDEX-0004-02. The authors would like to thank the
"Centre National de la Recherche Scientifique" (CNRS) for financial
support of this work. Work done at Argonne and the use of the Advanced
Photon Source, an Office of Science User Facility operated for the US
Department of Energy (DOE) Office of Science by Argonne National
Laboratory, were supported by the US DOE under Contract no.
DE-AC02-06CH11357. The authors also gratefully thank S. Casale (UPMC)
for HRTEM observations.
NR 68
TC 1
Z9 1
U1 16
U2 69
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 2014
VL 43
IS 48
BP 18025
EP 18034
DI 10.1039/c4dt02289k
PG 10
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA AU2MY
UT WOS:000345453700021
PM 25352309
ER
PT S
AU Marciano, WJ
AF Marciano, William J.
BE Theroine, C
Pignol, G
Soldner, T
TI Fundamental neutron physics
SO ESS SCIENCE SYMPOSIUM ON NEUTRON PARTICLE PHYSICS AT LONG PULSE
SPALLATION SOURCES (NPPATLPS 2013)
SE Physics Procedia
LA English
DT Proceedings Paper
CT ESS Science Symposium on Neutron Particle Physics at Long-Pulse
Spallation Sources (NPPatLPS)
CY MAR 25-27, 2013
CL Lab Phys Subatomique & Cosmologie, Grenoble, FRANCE
SP European Spallat Source
HO Lab Phys Subatomique & Cosmologie
DE CKM; muon capture; neutron dipole moment; CP violation
ID ANTINEUTRON OSCILLATION; RADIATIVE-CORRECTIONS; BETA-DECAY
AB A precise connection between V-ud, g(A) G(A)/G(V) and tau(n) is reviewed. Implications for CKM unitarity and muon capture are discussed. The neutron electric dipole moment and CP violation in H --> gamma gamma are related. Delta B = 2 n (n) over bar oscillations are shown to probe the neutron's Majorana nature and provide a possible paradigm for dark matter behavior. (C) 2013 The Authors. Published by Elsevier B.V.
C1 Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Marciano, WJ (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
NR 22
TC 0
Z9 0
U1 1
U2 2
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1875-3892
J9 PHYSCS PROC
PY 2014
VL 51
BP 19
EP 24
DI 10.1016/j.phpro.2013.12.006
PG 6
WC Physics, Particles & Fields
SC Physics
GA BB7EL
UT WOS:000345438700003
ER
PT S
AU Wietfeldt, FE
Darius, G
Dewey, MS
Fomin, N
Greene, GL
Mulholland, J
Snow, WM
Yue, AT
AF Wietfeldt, F. E.
Darius, G.
Dewey, M. S.
Fomin, N.
Greene, G. L.
Mulholland, J.
Snow, W. M.
Yue, A. T.
BE Theroine, C
Pignol, G
Soldner, T
TI A path to a 0.1 s neutron lifetime measurement using the beam method
SO ESS SCIENCE SYMPOSIUM ON NEUTRON PARTICLE PHYSICS AT LONG PULSE
SPALLATION SOURCES (NPPATLPS 2013)
SE Physics Procedia
LA English
DT Proceedings Paper
CT ESS Science Symposium on Neutron Particle Physics at Long-Pulse
Spallation Sources (NPPatLPS)
CY MAR 25-27, 2013
CL Lab Phys Subatomique & Cosmologie, Grenoble, FRANCE
SP European Spallat Source
HO Lab Phys Subatomique & Cosmologie
DE neutron lifetime; neutron decay; beta decay
ID PHYSICS
AB The beam method obtains the beta decay lifetime of the free neutron from the specific activity of a slow neutron beam. The best previous result had an overall uncertainty of 3.4 s [Nico, et al. (2005)]. We present a plan for a phased experimental program that will improve the overall uncertainty using this method to 0.1 s or below and may help elucidate systematic effects that could explain the current disagreement between the most recent beam and bottle method neutron lifetime experiments. (C) 2013 The Authors. Published by Elsevier B.V.
C1 [Wietfeldt, F. E.; Darius, G.] Tulane Univ, New Orleans, LA 70118 USA.
[Dewey, M. S.; Yue, A. T.] Nat Inst Stand & Technol, Gaithersburg, MD USA.
[Fomin, N.; Greene, G. L.; Mulholland, J.] Univ Tennessee, Knoxville, TN USA.
[Greene, G. L.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Mulholland, J.] Indiana Univ, Bloomington, IN USA.
[Yue, A. T.] Univ Maryland, College Pk, MD USA.
RP Wietfeldt, FE (reprint author), Tulane Univ, New Orleans, LA 70118 USA.
EM few@tulane.edu
NR 16
TC 1
Z9 1
U1 0
U2 3
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1875-3892
J9 PHYSCS PROC
PY 2014
VL 51
BP 54
EP 58
DI 10.1016/j.phpro.2013.12.013
PG 5
WC Physics, Particles & Fields
SC Physics
GA BB7EL
UT WOS:000345438700010
ER
PT S
AU Pendlebury, JM
Greene, GL
AF Pendlebury, J. M.
Greene, G. L.
BE Theroine, C
Pignol, G
Soldner, T
TI Considerations for an intense source of ultracold neutrons at the
European long pulse Spallation Source
SO ESS SCIENCE SYMPOSIUM ON NEUTRON PARTICLE PHYSICS AT LONG PULSE
SPALLATION SOURCES (NPPATLPS 2013)
SE Physics Procedia
LA English
DT Proceedings Paper
CT ESS Science Symposium on Neutron Particle Physics at Long-Pulse
Spallation Sources (NPPatLPS)
CY MAR 25-27, 2013
CL Lab Phys Subatomique & Cosmologie, Grenoble, FRANCE
SP European Spallat Source
HO Lab Phys Subatomique & Cosmologie
DE Ultra-cold neutron sources; UCN sources at reactors; UCN sources at long
pulse spallation sources
ID SUPERFLUID HE-4; COLD NEUTRONS; LIQUID-HELIUM; UCN
AB While intense reactor based sources of ultra-cold neutrons have been in operation for approximately three decades, it is only in the last few years that practical sources of UCN have been realized at spallation sources. Existing and proposed spallation based UCN sources employ two distinct strategies. In the first, the UCN converter (superfluid He-4, or solid D-2) is placed in the immediate vicinity of the spallation target. In the second, a converter (usually superfluid He) is placed at the output end of a cold neutron guide fed by the spallation target cold source. Both of these approaches are considered in relation to the European Long Pulse Spallation Source. (C) 2013 The Authors. Published by Elsevier B.V.
C1 [Pendlebury, J. M.] Univ Sussex, Dept Phys, Brighton BN1 9QH, E Sussex, England.
[Greene, G. L.] Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA.
[Greene, G. L.] Oak Ridge Natl Lab, Phys Div, Oak Ridge, TN 37831 USA.
RP Pendlebury, JM (reprint author), Univ Sussex, Dept Phys, Brighton BN1 9QH, E Sussex, England.
NR 25
TC 0
Z9 0
U1 0
U2 1
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1875-3892
J9 PHYSCS PROC
PY 2014
VL 51
BP 78
EP 84
DI 10.1016/j.phpro.2013.12.018
PG 7
WC Physics, Particles & Fields
SC Physics
GA BB7EL
UT WOS:000345438700015
ER
PT S
AU Young, AR
Huegle, T
Makela, M
Morris, C
Muhrer, G
Saunders, A
AF Young, A. R.
Huegle, T.
Makela, M.
Morris, C.
Muhrer, G.
Saunders, A.
BE Theroine, C
Pignol, G
Soldner, T
TI Spallation-driven ultracold neutron sources: concepts for a next
generation source
SO ESS SCIENCE SYMPOSIUM ON NEUTRON PARTICLE PHYSICS AT LONG PULSE
SPALLATION SOURCES (NPPATLPS 2013)
SE Physics Procedia
LA English
DT Proceedings Paper
CT ESS Science Symposium on Neutron Particle Physics at Long-Pulse
Spallation Sources (NPPatLPS)
CY MAR 25-27, 2013
CL Lab Phys Subatomique & Cosmologie, Grenoble, FRANCE
SP European Spallat Source
HO Lab Phys Subatomique & Cosmologie
DE ultracold neutron; spallation; source; moderator
ID BEAM CHARACTERISTICS; SUPERFLUID-HELIUM; SCATTERING CENTER; MODERATOR
AB We present concepts for a next-generation, spallation-driven ultracold neutron source. Our source is based on a 40 liter volume of liquid He held at 1.6 K, with heat removed by "sub-cooled" He technology developed for the Large Hadron Collider's magnet systems. We report on neutronics modeling for two geometries which utilize well-vetted scattering and absorption data developed for the Lujan Center Mark-3 target, as well as promising moderator materials for the cold neutron "pre-moderator" for this source. (C) 2013 The Authors. Published by Elsevier B.V.
C1 [Young, A. R.] North Carolina State Univ, Triangle Univ Nucl Lab, Raleigh, NC 27695 USA.
[Huegle, T.; Makela, M.; Morris, C.; Muhrer, G.; Saunders, A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Young, AR (reprint author), North Carolina State Univ, Triangle Univ Nucl Lab, Raleigh, NC 27695 USA.
EM aryoung@ncsu.edu
OI Huegle, Thomas/0000-0002-7762-1302
FU NSF [1005233]; DOE [DE-FG02-97ER41042, DE-AC52-06NA25396]; Readiness in
Technical Base and Facilities (RTBF) - Department of Energy's Office of
National Nuclear Security Administration; Department of Energy's Office
of Basic Energy Sciences
FX This work supported by NSF 1005233 and DOE grant numbers
DE-FG02-97ER41042 and DE-AC52-06NA25396. This work was partially
supported by Readiness in Technical Base and Facilities (RTBF) which is
funded by the Department of Energy's Office of National Nuclear Security
Administration. It has benefited from the use of the Manuel Lujan, Jr.
Neutron Scattering Center at Los Alamos National Laboratory, which is
funded by the Department of Energy's Office of Basic Energy Sciences.
NR 20
TC 1
Z9 1
U1 2
U2 6
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1875-3892
J9 PHYSCS PROC
PY 2014
VL 51
BP 93
EP 97
DI 10.1016/j.phpro.2013.12.021
PG 5
WC Physics, Particles & Fields
SC Physics
GA BB7EL
UT WOS:000345438700018
ER
PT J
AU Bressler, C
Gawelda, W
Galler, A
Nielsen, MM
Sundstrom, V
Doumy, G
March, AM
Southworth, SH
Young, L
Vanko, G
AF Bressler, C.
Gawelda, W.
Galler, A.
Nielsen, M. M.
Sundstrom, V.
Doumy, G.
March, A. M.
Southworth, S. H.
Young, L.
Vanko, G.
TI Solvation dynamics monitored by combined X-ray spectroscopies and
scattering: photoinduced spin transition in aqueous [Fe(bpy)(3)](2+)
SO FARADAY DISCUSSIONS
LA English
DT Article
ID ABSORPTION SPECTROSCOPY; MOLECULAR-STRUCTURES; CROSSOVER DYNAMICS;
STATE; COMPLEXES; LIQUIDS; SOLVENT; XANES
AB We have studied the photoinduced low spin (LS) to high spin (HS) conversion of aqueous Fe(bpy)(3) with pulse-limited time resolution. In a combined setup permitting simultaneous X-ray diffuse scattering (XDS) and spectroscopic measurements at a MHz repetition rate we have unraveled the interplay between intramolecular dynamics and the intermolecular caging solvent response with 100 ps time resolution. On this time scale the ultrafast spin transition including intramolecular geometric structure changes as well as the concomitant bulk solvent heating process due to energy dissipation from the excited HS molecule are long completed. The heating is nevertheless observed to further increase due to the excess energy between HS and LS states released on a subnanosecond time scale. The analysis of the spectroscopic data allows precise determination of the excited population which efficiently reduces the number of free parameters in the XDS analysis, and both combined permit extraction of information about the structural dynamics of the first solvation shell.
C1 [Bressler, C.; Gawelda, W.; Galler, A.] European XFEL, D-22761 Hamburg, Germany.
[Bressler, C.] Hamburg Ctr Ultrafast Imaging, D-22761 Hamburg, Germany.
[Nielsen, M. M.] Tech Univ Denmark, Dept Phys, Ctr Mol Movies, DK-2800 Lyngby, Denmark.
[Sundstrom, V.] Lund Univ, Dept Chem Phys, S-22100 Lund, Sweden.
[Doumy, G.; March, A. M.; Southworth, S. H.] Argonne Natl Lab, Argonne, IL 60439 USA.
[Young, L.; Vanko, G.] Hungarian Acad Sci, Wigner Res Ctr Phys, H-1525 Budapest, Hungary.
RP Bressler, C (reprint author), European XFEL, Albert Einstein Ring 19, D-22761 Hamburg, Germany.
EM christian.bressler@xfel.eu
RI Vanko, Gyorgy/B-8176-2012; Gawelda, Wojciech/B-7878-2014
OI Vanko, Gyorgy/0000-0002-3095-6551; Gawelda, Wojciech/0000-0001-7824-9197
FU European XFEL, the European Research Council [ERC-StG-259709]; Danish
National Research Foundation's Centre for Molecular Movies, DANSCATT;
"Lendulet" (Momentum) Programme of the Hungarian Academy of Sciences;
U.S. Department of Energy (DOE) Office of Science, Division of Chemical,
Geological and Biological Sciences [DE-AC02-06CH11357]; German Research
Foundation (DFG) [SFB925 (TP4)]; U.S. DOE [DE-AC02-06CH11357]
FX We thank our collaborators and coworkers for contributing to the present
work: K. Haldrup, A. Dohn, K. S. Kjaer and T. B. van Driel are
acknowledged for fruitful discussions and analysis of the XDS data, E.
P. Kanter; A. Bordage, H. T. Lemke, S. Canton and J. Uhlig for their
help during the experiments, T. Assefa for the analysis shown in Fig. 4.
This research was supported by the European XFEL, the European Research
Council via contract ERC-StG-259709, by the Danish National Research
Foundation's Centre for Molecular Movies, DANSCATT, and the "Lendulet"
(Momentum) Programme of the Hungarian Academy of Sciences. S. H. S., and
L.Y. acknowledge support from the U.S. Department of Energy (DOE) Office
of Science, Division of Chemical, Geological and Biological Sciences
under Contract no. DE-AC02-06CH11357. A.G., W.G., and C.B. acknowledge
the support of the German Research Foundation (DFG) via contract SFB925
(TP4). Portions of this work were performed at the linac coherent light
source (LCLS). Use of the Advanced Photon Source, an Office of Science
User Facility operated for DOE Office of Science by Argonne National
Laboratory, was supported by the U.S. DOE under Contract no.
DE-AC02-06CH11357.
NR 26
TC 9
Z9 9
U1 8
U2 26
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-6640
EI 1364-5498
J9 FARADAY DISCUSS
JI Faraday Discuss.
PY 2014
VL 171
BP 169
EP 178
DI 10.1039/c4fd00097h
PG 10
WC Chemistry, Physical
SC Chemistry
GA AU3QZ
UT WOS:000345529900009
PM 25415532
ER
PT J
AU Neppl, S
Shavorskiy, A
Zegkinoglou, I
Fraund, M
Slaughter, DS
Troy, T
Ziemkiewicz, MP
Ahmed, M
Gul, S
Rude, B
Zhang, JZ
Tremsin, AS
Glans, PA
Liu, YS
Wu, CH
Guo, JH
Salmeron, M
Bluhm, H
Gessner, O
AF Neppl, Stefan
Shavorskiy, Andrey
Zegkinoglou, Ioannis
Fraund, Matthew
Slaughter, Daniel S.
Troy, Tyler
Ziemkiewicz, Michael P.
Ahmed, Musahid
Gul, Sheraz
Rude, Bruce
Zhang, Jin Z.
Tremsin, Anton S.
Glans, Per-Anders
Liu, Yi-Sheng
Wu, Cheng Hao
Guo, Jinghua
Salmeron, Miquel
Bluhm, Hendrik
Gessner, Oliver
TI Capturing interfacial photoelectrochemical dynamics with picosecond
time-resolved X-ray photoelectron spectroscopy
SO FARADAY DISCUSSIONS
LA English
DT Article
ID NANOCRYSTALLINE THIN-FILMS; SENSITIZED SOLAR-CELLS; FREE-ELECTRON LASER;
SURFACE PHOTOVOLTAGE TRANSIENTS; RU POLYPYRIDYL COMPLEXES;
SYNCHROTRON-RADIATION; ABSORPTION-SPECTROSCOPY; INJECTION DYNAMICS;
NANOSTRUCTURED TIO2; EXCITED N3
AB Time-resolved core-level spectroscopy using laser pulses to initiate and short X-ray pulses to trace photoinduced processes has the unique potential to provide electronic state-and atomic site-specific insight into fundamental electron dynamics in complex systems. Time-domain studies using transient X-ray absorption and emission techniques have proven extremely valuable to investigate electronic and structural dynamics in isolated and solvated molecules. Here, we describe the implementation of a picosecond time-resolved X-ray photoelectron spectroscopy (TRXPS) technique at the Advanced Light Source (ALS) and its application to monitor photoinduced electron dynamics at the technologically pertinent interface formed by N3 dye molecules anchored to nanoporous ZnO. Indications for a dynamical chemical shift of the Ru3d photoemission line originating from the N3 metal centre are observed similar to 30 ps after resonant HOMO-LUMO excitation with a visible laser pump pulse. The transient changes in the TRXPS spectra are accompanied by a characteristic surface photovoltage (SPV) response of the ZnO substrate on a pico-to nanosecond time scale. The interplay between the two phenomena is discussed in the context of possible electronic relaxation and recombination pathways that lead to the neutralisation of the transiently oxidised dye after ultrafast electron injection. A detailed account of the experimental technique is given including an analysis of the chemical modification of the nano-structured ZnO substrate during extended periods of solution-based dye sensitisation and its relevance for studies using surface-sensitive spectroscopy techniques.
C1 [Neppl, Stefan; Shavorskiy, Andrey; Zegkinoglou, Ioannis; Fraund, Matthew; Slaughter, Daniel S.; Troy, Tyler; Ziemkiewicz, Michael P.; Ahmed, Musahid; Rude, Bruce; Bluhm, Hendrik; Gessner, Oliver] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Gul, Sheraz; Glans, Per-Anders; Liu, Yi-Sheng; Guo, Jinghua] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Gul, Sheraz; Zhang, Jin Z.] Univ Calif Santa Cruz, Dept Chem & Biochem, Santa Cruz, CA 95064 USA.
[Tremsin, Anton S.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA.
[Wu, Cheng Hao; Salmeron, Miquel] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Wu, Cheng Hao] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
RP Neppl, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
EM sneppl@lbl.gov; ogessner@lbl.gov
RI Wu, Cheng Hao/C-9565-2014; Ahmed, Musahid/A-8733-2009; Zegkinoglou,
Ioannis/H-2343-2013; Glans, Per-Anders/G-8674-2016;
OI Slaughter, Daniel/0000-0002-4621-4552
FU U.S. Department of Energy, Office of Basic Energy Sciences, Chemical
Sciences, Geosciences and Biosciences Division [DE-AC02-05CH11231];
Department of Energy Office of Science Early Career Research Program;
Basic Energy Sciences Division of the US DOE [DE-FG02-ER46232]
FX This work was supported by the U.S. Department of Energy, Office of
Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences
Division, through Contract no. DE-AC02-05CH11231. O. G. was supported by
the Department of Energy Office of Science Early Career Research
Program. J. Z. Z. is grateful for support by the Basic Energy Sciences
Division of the US DOE (DE-FG02-ER46232). We appreciate the excellent
support provided by the staff of the Advanced Light Source.
NR 74
TC 10
Z9 10
U1 4
U2 42
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-6640
EI 1364-5498
J9 FARADAY DISCUSS
JI Faraday Discuss.
PY 2014
VL 171
BP 219
EP 241
DI 10.1039/c4fd00036f
PG 23
WC Chemistry, Physical
SC Chemistry
GA AU3QZ
UT WOS:000345529900012
PM 25415599
ER
PT J
AU Mak, R
Lerotic, M
Fleckenstein, H
Vogt, S
Wild, SM
Leyffer, S
Sheynkin, Y
Jacobsen, C
AF Mak, Rachel
Lerotic, Mirna
Fleckenstein, Holger
Vogt, Stefan
Wild, Stefan M.
Leyffer, Sven
Sheynkin, Yefim
Jacobsen, Chris
TI Non-negative matrix analysis for effective feature extraction in X-ray
spectromicroscopy
SO FARADAY DISCUSSIONS
LA English
DT Article
ID HUMAN SPERMATOZOA; CLUSTER-ANALYSIS; FACTORIZATION; SPECTROSCOPY; IMAGE;
DNA; MICROSCOPY; SPECTRA; TRANSMISSION; INFERTILITY
AB X-Ray absorption spectromicroscopy provides rich information on the chemical organization of materials down to the nanoscale. However, interpretation of this information in studies of "natural" materials such as biological or environmental science specimens can be complicated by the complex mixtures of spectroscopically complicated materials present. We describe here the shortcomings that sometimes arise in previously-employed approaches such as cluster analysis, and we present a new approach based on non-negative matrix approximation (NNMA) analysis with both sparseness and cluster-similarity regularizations. In a preliminary study of the large-scale biochemical organization of human spermatozoa, NNMA analysis delivers results that nicely show the major features of spermatozoa with no physically erroneous negative weightings or thicknesses in the calculated image.
C1 [Mak, Rachel; Jacobsen, Chris] Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA.
[Lerotic, Mirna] 2nd Look Consulting, Hong Kong, Hong Kong, Peoples R China.
[Fleckenstein, Holger] DESY, Ctr Free Electron Laser Sci CFEL, D-22607 Hamburg, Germany.
[Vogt, Stefan; Jacobsen, Chris] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Wild, Stefan M.; Leyffer, Sven] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA.
[Sheynkin, Yefim] SUNY Stony Brook, Dept Urol, Stony Brook, NY 11794 USA.
[Jacobsen, Chris] Northwestern Univ, Chem Life Proc Inst, Evanston, IL 60208 USA.
RP Jacobsen, C (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 South Cass Ave, Argonne, IL 60439 USA.
EM rachel.mak@u.northwestern.edu
RI Jacobsen, Chris/E-2827-2015; Wild, Stefan/P-4907-2016
OI Jacobsen, Chris/0000-0001-8562-0353; Wild, Stefan/0000-0002-6099-2772
FU U.S. Department of Energy (DOE) Office of Science [DE-AC02-06CH11357];
National Institutes of Health [R01 EB-000479]; [R01 GM-104530]
FX We thank the U.S. Department of Energy (DOE) Office of Science for
support of this work under contract DE-AC02-06CH11357 to Argonne
National Laboratory. Earlier exploration of NNMA as applied to sperm
spectromicroscopy analysis was supported by the National Institutes of
Health under grant R01 EB-000479; RM was supported in part by grant R01
GM-104530.
NR 52
TC 4
Z9 4
U1 2
U2 10
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-6640
EI 1364-5498
J9 FARADAY DISCUSS
JI Faraday Discuss.
PY 2014
VL 171
BP 357
EP 371
DI 10.1039/c4fd00023d
PG 15
WC Chemistry, Physical
SC Chemistry
GA AU3QZ
UT WOS:000345529900019
PM 25415133
ER
PT S
AU Lawrence, C
Steefel, C
Maher, K
AF Lawrence, Corey
Steefel, Carl
Maher, Kate
BE Gaillardet, J
TI Abiotic/Biotic Coupling in the Rhizosphere: A Reactive Transport
Modeling Analysis
SO GEOCHEMISTRY OF THE EARTH'S SURFACE GES-10
SE Procedia Earth and Planetary Science
LA English
DT Proceedings Paper
CT Geochemistry of the Earth's Surface (GES) Meeting
CY AUG 18-23, 2014
CL Paris, FRANCE
SP Int Assoc Geochemistry, Inst Physique Globe Paris
DE soil organic matter; reactive transport modeling; rhizosphere
AB A new generation of models is needed to adequately simulate patterns of soil biogeochemical cycling in response changing global environmental drivers. For example, predicting the influence of climate change on soil organic matter storage and stability requires models capable of addressing complex biotic/abiotic interactions of rhizosphere and weathering processes. Reactive transport modeling provides a powerful framework simulating these interactions and the resulting influence on soil physical and chemical characteristics. Incorporation of organic reactions in an existing reactive transport model framework has yielded novel insights into soil weathering and development but much more work is required to adequately capture root and microbial dynamics in the rhizosphere. This endeavor provides many advantages over traditional soil biogeochemical models but also many challenges. (C) 2014 Published by Elsevier B.V.
C1 [Lawrence, Corey] US Geol Survey, 345 Middlefield Rd, Menlo Pk, CA 94025 USA.
[Steefel, Carl] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Maher, Kate] Stanford Univ, Dept Geol & Environm Sci, Stanford, CA 94305 USA.
RP Lawrence, C (reprint author), US Geol Survey, 345 Middlefield Rd, Menlo Pk, CA 94025 USA.
EM clawrence@usgs.gov
RI Steefel, Carl/B-7758-2010; Maher, Kate/B-3489-2010
OI Maher, Kate/0000-0002-5982-6064
FU NSF
FX The authors acknowledge Marjorie Schulz, Jennifer Harden, Arthur White
and the participants of the NSF sponsored workshop: "Expanding the role
of Reactive Transport Modeling within the Biogeochemical Sciences" for
thoughtful discussions on the need and feasibility of applying RTMs in
the rhizo sphere.
NR 5
TC 1
Z9 1
U1 0
U2 7
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1878-5220
J9 PROCED EARTH PLAN SC
PY 2014
VL 10
BP 104
EP 108
DI 10.1016/j.proeps.2014.08.037
PG 5
WC Geochemistry & Geophysics; Geosciences, Multidisciplinary
SC Geochemistry & Geophysics; Geology
GA BB7DT
UT WOS:000345407200018
ER
PT S
AU Tobler, DJ
Blanco, JDR
Dideriksen, K
Sand, KK
Bovet, N
Benning, LG
Stipp, SLS
AF Tobler, D. J.
Blanco, J. D. Rodriguez
Dideriksen, K.
Sand, K. K.
Bovet, N.
Benning, L. G.
Stipp, S. L. S.
BE Gaillardet, J
TI The effect of aspartic acid and glycine on amorphous calcium carbonate
(ACC) structure, stability and crystallization
SO GEOCHEMISTRY OF THE EARTH'S SURFACE GES-10
SE Procedia Earth and Planetary Science
LA English
DT Proceedings Paper
CT Geochemistry of the Earth's Surface (GES) Meeting
CY AUG 18-23, 2014
CL Paris, FRANCE
SP Int Assoc Geochemistry, Inst Physique Globe Paris
DE Amorphous calcium carbonate; ACC lifetime; CaCO3 crystallization; amino
acids; bimineralization
ID MORPHOLOGIES
AB The effect of organic molecules on CaCO3 crystallization, in particular on the formation of the initial amorphous calcium carbonate (ACC) phase, is poorly understood despite this knowledge being crucial for designing biomimetic compounds with specific function, strength and stability. We monitored ACC crystallization in the presence of varying concentrations of aspartic acid (ASP) and glycine (GLY). We observed an increase in ACC lifetime with increasing amino acid concentrations and showed that the amino acid molecules sorbed onto the ACC particles. However, little if any difference in composition and atomic structure or the so formed ACC was observed. Similarly, the crystallization pathway of ACC via vaterite and calcite although delayed, was only slightly affected by the added amino acids. The only exemption was at the highest tested ASP concentration where ACC formation was inhibited, The calcite crystals that formed in the presence of ASP had rounded edges and rough surfaces, features that are not observed for the pure, inorganic calcite or calcite formed in the presence of GLY. Overall, the results suggest that the amino acids affected ACC lifetime through the inhibition of crystal nucleation and growth, more so in the presence of ASP than GLY. (C) 2014 Published by Elsevier B.V.
C1 [Tobler, D. J.; Blanco, J. D. Rodriguez; Dideriksen, K.; Bovet, N.; Stipp, S. L. S.] Univ Copenhagen, Dept Chem, Nanosci Ctr, DK-1168 Copenhagen, Denmark.
[Sand, K. K.] Lawrence Berkeley Natl Labs, Berkeley, CA USA.
[Benning, L. G.] Univ Leeds, Sch Earth & Environm, Cohen Geochem Lab, Leeds LS2 9JT, W Yorkshire, England.
RP Tobler, DJ (reprint author), Univ Copenhagen, Dept Chem, Nanosci Ctr, DK-1168 Copenhagen, Denmark.
RI Sand, Karina/P-1008-2014; Tobler, Dominique/G-3213-2012; Dideriksen,
Knud/D-1010-2016; Rodriguez-Blanco, Juan Diego/D-5197-2013
OI Sand, Karina/0000-0002-0720-7229; Tobler, Dominique/0000-0001-8532-1855;
Dideriksen, Knud/0000-0003-3067-4834; Rodriguez-Blanco, Juan
Diego/0000-0001-5978-3001
FU Engineering and Physical Sciences Research Council (EPSRC)
[EP/I001514/1]; European Commission [FP7 283148]; U. S. Department of
Energy; Office of Basic Energy Sciences [DE-ACO206CH11357]
FX This work was funded by the Engineering and Physical Sciences Research
Council (EPSRC) program grant (EP/I001514/1) for the Materials Interface
with Biology (MIB) Consortium and by the European Commission Framework
7, through the CarbFix Project, Grant Agreement No: FP7 283148. Use of
the Advanced Photon Source was supported by the U. S. Department of
Energy, Office of Basic Energy Sciences, under Contract No.
DE-ACO206CH11357. We are grateful for the help provided by Karina
Chapman, Peter Chupas, Rick Spence and Kevin A. Beyer, APS on beamline
11 ID-B.
NR 15
TC 5
Z9 5
U1 3
U2 22
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1878-5220
J9 PROCED EARTH PLAN SC
PY 2014
VL 10
BP 143
EP 148
DI 10.1016/j.proeps.2014.08.047
PG 6
WC Geochemistry & Geophysics; Geosciences, Multidisciplinary
SC Geochemistry & Geophysics; Geology
GA BB7DT
UT WOS:000345407200026
ER
PT S
AU Steefel, CI
Druhan, JL
Maher, K
AF Steefel, Carl I.
Druhan, Jennifer L.
Maher, Kate
BE Gaillardet, J
TI Modeling coupled chemical and isotopic equilibration rates
SO GEOCHEMISTRY OF THE EARTH'S SURFACE GES-10
SE Procedia Earth and Planetary Science
LA English
DT Proceedings Paper
CT Geochemistry of the Earth's Surface (GES) Meeting
CY AUG 18-23, 2014
CL Paris, FRANCE
SP Int Assoc Geochemistry, Inst Physique Globe Paris
DE Isotopic fractionation; reactive transport modeling; kinetic
fractionation; calcium isotopes
ID CALCITE GROWTH; FRACTIONATION FACTOR; AQUEOUS-SOLUTIONS; PORE FLUID;
SEDIMENTS; KINETICS; PRECIPITATION; DISSOLUTION; EVOLUTION; BEARING
AB We present a model for coupled chemical and isotopic equilibration rates based on Transition State Theory (TST) type rate laws and apply it to Ca isotope kinetic fractionation in natural systems. The model, in contrast to the steady state model proposed by DePaolo(2011), explicitly considers isotopic equilibration in the absence of bulk chemical disequilibrium by making use of a solid-solution model for the precipitating (and potentially) dissolving mineral phase. The model is applied to the subsequent isotopic equilibration of the isotopically light bulk or surface layer on calcite formed as a result of kinetic Ca fractionation associated with precipitation. The model is then applied to Ca isotopic re-equilibration at marine Site 984 in the mid-Atlantic using the Ca isotope data of Turchyn and DePaolo (2011) based on a modification of the reactive transport model presented in Maher et al. (2006). The simulations with the new model CrunchTope demonstrate that it is impossible to match the observed Ca isotope profiles at Site 984 using the same rate constants as were used to describe calcite precipitation. To match the isotopic data requires re-equilibration rate constants that are about 4 orders of magnitude smaller than those for bulk precipitation using a linear TST rate law. (C) 2014 The Authors. Published by Elsevier B.V.
C1 [Steefel, Carl I.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
[Druhan, Jennifer L.; Maher, Kate] Stanford Univ, Stanford Sch Earth Sci, Stanford, CA 94305 USA.
RP Steefel, CI (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RI Druhan, Jennifer/G-2584-2011; Steefel, Carl/B-7758-2010; Maher,
Kate/B-3489-2010
OI Maher, Kate/0000-0002-5982-6064
FU Lawrence Berkeley National Laboratory - U.S. Department of Energy;
Office of Science; Office of Biological and Environmental Research
[DE-ACO2-05CH11231]; National Science Foundation [EAR 1144763]; Center
for Nanoscale Control of Geologic CO2; U.S. Department of Energy
[DE-ACO2-05CH11231]
FX This material is based upon work supported as part of the Subsurface
Science Scientific Focus Area at Lawrence Berkeley National Laboratory
funded by the U.S. Department of Energy, Office of Science, Office of
Biological and Environmental Research under Award Number
DE-ACO2-05CH11231 (to C. S. and J.D.). Additional support was provided
in the form of a National Science Foundation post-doctoral fellowship
EAR 1144763 to J.D. Additional support was provided (C.S) by the Center
for Nanoscale Control of Geologic CO2, an Energy Frontier Research
Center funded by the U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences, under contract number
DE-ACO2-05CH11231.
NR 16
TC 3
Z9 3
U1 2
U2 15
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1878-5220
J9 PROCED EARTH PLAN SC
PY 2014
VL 10
BP 208
EP 217
DI 10.1016/j.proeps.2014.08.022
PG 10
WC Geochemistry & Geophysics; Geosciences, Multidisciplinary
SC Geochemistry & Geophysics; Geology
GA BB7DT
UT WOS:000345407200038
ER
PT J
AU Jasionowski, M
Peryt, TM
Durakiewicz, T
AF Jasionowski, Marek
Peryt, Tadeusz Marek
Durakiewicz, Tomasz
TI Polyphase dolomitisation of the Wuchiapingian Zechstein Limestone (Ca1)
isolated reefs (Wolsztyn Palaeo-Ridge, Fore-Sudetic Monocline, SW
Poland)
SO GEOLOGICAL QUARTERLY
LA English
DT Article
DE Zechstein Limestone; reefs; diagenesis; dolomitisation; carbon and
oxygen isotopes
ID LATEMAR CARBONATE BUILDUP; NORTHERN POLAND; WESTERN POLAND; REPLACEMENT
DOLOMITE; MASSIVE DOLOMITE; BASINAL FACIES; METEORIC WATER; BRINE
REFLUX; FLUID-FLOW; DOLOMITIZATION
AB Dolomitisation was the main diagenetic process in the Upper Permian Zechstein Limestone of the Wolsztyn High dolomite cementation ("over-dolomitisation") also occurred. The rocks studied usually have a mixed mineralogy and represent a continuous spectrum from pure limestone to pure dolomite. This is due to varying degrees of dolomitisation, dolomite cementation and dedolomitisation. There are two main types of dolomite: replacement dolomite (mostly planar unimodal dolosparite mosaics that are mainly fabric-destructive) and cement dolomite (planar isopachous rims and pore-filling non-planar saddle-dolomite crystals). The timing of dolomitisation and dolomite cementation is difficult to ascertain, but comparing petrographical and geochemical data indicates that the reef carbonates were dolomitised shortly after deposition in a near-surface sabkha/seepage-reflux and then in burial systems. It seems that many of the dolomites gain their present isotopic composition when buried in relatively high-temperature conditions, as shown by low oxygen isotopic ratios (delta O-18 as low as 9 parts per thousand PDB) and the presence of saddle dolomite. No isotopic support for a water-mixing mechanism is documented.
C1 [Jasionowski, Marek; Peryt, Tadeusz Marek] Polish Geol Inst, Natl Res Inst, PL-00975 Warsaw, Poland.
[Durakiewicz, Tomasz] Marie Curie Sklodowska Univ, Mass Spectrometry Lab, Inst Phys, PL-20031 Lublin, Poland.
[Durakiewicz, Tomasz] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Jasionowski, M (reprint author), Polish Geol Inst, Natl Res Inst, Rakowiecka 4, PL-00975 Warsaw, Poland.
EM marek.jasionowski@pgi.gov.pl
FU State Committee for Scientific Research [9 T12B 02815]; PGI-NRI
[6.20.1382.00.0]; U.S. Department of Energy, Office of Science, Basic
Energy Sciences, Materials Sciences and Engineering Division
FX The research was funded by the State Committee for Scientific Research
(Grant No. 9 T12B 02815 to TMP) and the statutory funds of the PGI-NRI
(project No. 6.20.1382.00.0 to MJ). TO was supported by the U.S.
Department of Energy, Office of Science, Basic Energy Sciences,
Materials Sciences and Engineering Division. The Polish Oil and Gas
Company granted access to core material and thin sections. A. Wojtowicz
helped with the analyses, and K. Chlodek offered logistical support. We
greatly appreciate comments and suggestions of improvements by the
journal reviewers, M. Krajewski and F. Pomoni-Papaioannou.
NR 67
TC 2
Z9 2
U1 1
U2 6
PU POLISH GEOLOGICAL INST
PI WARSAW
PA RAKOWIECKA 4, BLDG A, ROOM 434, PL-00-975 WARSAW, POLAND
SN 1641-7291
EI 2082-5099
J9 GEOL Q
JI Geol. Q.
PY 2014
VL 58
IS 3
BP 503
EP 519
DI 10.7306/gq.1194
PG 17
WC Geology
SC Geology
GA AU2ZQ
UT WOS:000345483300011
ER
PT J
AU Luterbacher, JS
Alonso, DM
Dumesic, JA
AF Luterbacher, J. S.
Alonso, D. Martin
Dumesic, J. A.
TI Targeted chemical upgrading of lignocellulosic biomass to platform
molecules
SO GREEN CHEMISTRY
LA English
DT Review
ID BIPHASIC CO2-H2O PRETREATMENT; COMPARATIVE SUGAR RECOVERY;
ACID-CATALYZED HYDROLYSIS; LIQUID-HYDROCARBON FUELS;
DILUTE-SULFURIC-ACID; LEVULINIC ACID; GAMMA-VALEROLACTONE; IONIC-LIQUID;
ENZYMATIC-HYDROLYSIS; SUPERCRITICAL WATER
AB This review presents an overview of the initial targeted chemical processing stages for conversion of lignocellulosic biomass to platform molecules that serve as intermediates for the production of carbon-based fuels and chemicals. We identify four classes of platform molecules that can be obtained in an initial chemical processing step: (i) sugars, (ii) dehydration products, (iii) polyols and (iv) lignin monomers. Special emphasis is placed on reporting and comparing parameters that affect process economics and/or sustainability, including product yields, amount of catalyst used, processing conditions, and product concentrations. We discuss the economic trade-offs associated with choices related to these parameters, depending on the product that is targeted. We also address the effects of real biomass on the ability to recover, recycle, and potentially regenerate catalysts and solvents used in the biomass conversion processes.
C1 [Luterbacher, J. S.; Alonso, D. Martin; Dumesic, J. A.] Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA.
[Luterbacher, J. S.; Dumesic, J. A.] Great Lakes Bioenergy Res Ctr, Madison, WI 53726 USA.
RP Luterbacher, JS (reprint author), Univ Wisconsin, Dept Chem & Biol Engn, Engn Hall, Madison, WI 53706 USA.
EM dumesic@engr.wisc.edu
OI Luterbacher, Jeremy/0000-0002-0967-0583
FU Great Lakes Bioenergy Research Center - U.S. Department of Energy
[DE-FC02-07ER64494]; National Science Foundation [CBET-1149678]
FX The authors thank Ali Motagamwala for his help in reviewing the
manuscript. This work was supported by the Great Lakes Bioenergy
Research Center (http://www.glbrc.org), supported by the U.S. Department
of Energy, through Cooperative Agreement DE-FC02-07ER64494 between the
Board of Regents of the University of Wisconsin System and the U.S.
Department of Energy and the National Science Foundation (CBET-1149678).
NR 207
TC 69
Z9 70
U1 26
U2 140
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 2014
VL 16
IS 12
BP 4816
EP 4838
DI 10.1039/c4gc01160k
PG 23
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA AU2NK
UT WOS:000345455100002
ER
PT J
AU Mukarakate, C
Watson, MJ
ten Dam, J
Baucherel, X
Budhi, S
Yung, MM
Ben, HX
Iisa, K
Baldwin, RM
Nimlos, MR
AF Mukarakate, Calvin
Watson, Michael J.
ten Dam, Jeroen
Baucherel, Xavier
Budhi, Sridhar
Yung, Matthew M.
Ben, Haoxi
Iisa, Kristiina
Baldwin, Robert M.
Nimlos, Mark R.
TI Upgrading biomass pyrolysis vapors over beta-zeolites: role of
silica-to-alumina ratio
SO GREEN CHEMISTRY
LA English
DT Article
ID CATALYTIC FAST PYROLYSIS; FLUIDIZED-BED REACTOR; CRUDE BIO-OIL; HZSM-5
ZEOLITE; MOLECULAR CHARACTERIZATION; CONVERSION; HYDROCARBONS;
AROMATICS; PRODUCTS; TRANSFORMATION
AB The conversion of biomass primary pyrolysis vapors over several beta-zeolites with silica-to-alumina ratios (SAR) varying from 21 to 250 was carried out in a flow microreactor to investigate the effect of number of acid sites on product speciation and deactivation of the catalyst. Experiments were conducted using a horizontal fixed bed semi-batch reactor in which up to 40 discrete 50 mg boats of biomass were pyrolyzed and the vapors upgraded over 0.5 g of the catalyst. Products were measured with a molecular beam mass spectrometer (MBMS). These studies were complemented using a tandem micropyrolyzer connected to a GCMS (py-GCMS) for speciation and quantifying the products. In the py-GCMS experiments, several 0.5 mg loads of pine were pyrolyzed sequentially and the vapors upgraded over 4 mg of catalyst. In all of these experiments, real-time measurements of the products formed were conducted as the catalyst aged and deactivated during upgrading. The results from these experiments showed that: (1) fresh catalyst for beta-zeolites with lower SAR (more acid sites) produced primarily aromatic hydrocarbons and olefins with no detectable oxygen-containing species; (2) a suite of oxygenated products was observed from fresh catalysts with high SAR (few acid sites), indicating that 0.5 g of these catalyst materials did not have sufficient acid sites to deoxygenate vapors produced from pyrolysis of 50 mg of pine. This suite of oxygen containing products consisted of furans, phenol and cresols. The amount of coke deposited on each catalyst and the yield of aromatic hydrocarbons increased with the number of acid sites. However, while the catalysts were active, the biomass selectivity towards coke and hydrocarbons remained essentially constant on the catalysts of varying SAR.
C1 [Mukarakate, Calvin; Budhi, Sridhar; Yung, Matthew M.; Ben, Haoxi; Iisa, Kristiina; Baldwin, Robert M.; Nimlos, Mark R.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA.
[Watson, Michael J.; ten Dam, Jeroen; Baucherel, Xavier] Johnson Matthey Technol Ctr, Billingham TS23 1LB, Cleveland, England.
[Budhi, Sridhar] Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA.
RP Mukarakate, C (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM calvin.mukarakate@nrel.gov
RI ten Dam, Jeroen/G-2732-2011; Ben, Haoxi/G-6482-2013; Budhi,
Sridhar/B-2157-2017
OI ten Dam, Jeroen/0000-0002-6592-5325; Ben, Haoxi/0000-0002-0569-9397;
Budhi, Sridhar/0000-0003-2514-5161
FU U.S. Department of Energy's Bioenergy Technologies Office (DOE-BETO)
[DE-AC36-08GO28308]; National Renewable Energy Laboratory; Johnson
Matthey
FX This work was supported by the U.S. Department of Energy's Bioenergy
Technologies Office (DOE-BETO) Contract No. DE-AC36-08GO28308 with the
National Renewable Energy Laboratory and Johnson Matthey. The authors
would like to thank Dr. Jesse Hensley (NREL) and Dr. Vladimir Zholobenko
(Johnson Matthey) for stimulating discussions.
NR 50
TC 21
Z9 21
U1 3
U2 38
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 2014
VL 16
IS 12
BP 4891
EP 4905
DI 10.1039/c4gc01425a
PG 15
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA AU2NK
UT WOS:000345455100008
ER
PT S
AU Vetter, JS
Lee, S
Li, D
Marin, G
McCurdy, C
Meredith, J
Roth, PC
Spafford, K
AF Vetter, Jeffrey S.
Lee, Seyong
Li, Dong
Marin, Gabriel
McCurdy, Collin
Meredith, Jeremy
Roth, Philip C.
Spafford, Kyle
BE Jarvis, S
Wright, S
Hammond, S
TI Quantifying Architectural Requirements of Contemporary Extreme-Scale
Scientific Applications
SO HIGH PERFORMANCE COMPUTING SYSTEMS: PERFORMANCE MODELING, BENCHMARKING
AND SIMULATION
SE Lecture Notes in Computer Science
LA English
DT Proceedings Paper
CT 4th International Workshop on Performance Modeling, Benchmarking and
Simulation of High-Performance Computing Systems (PMBS)
CY NOV 18, 2013
CL Denver, CO
ID MOLECULAR-DYNAMICS; COMMUNITY
AB As detailed in recent reports, HPC architectures will continue to change over the next decade in an effort to improve energy efficiency, reliability, and performance. At this time of significant disruption, it is critically important to understand specific application requirements, so that these architectural changes can include features that satisfy the requirements of contemporary extreme-scale scientific applications. To address this need, we have developed a methodology supported by a toolkit that allows us to investigate detailed computation, memory, and communication behaviors of applications at varying levels of resolution. Using this methodology, we performed a broad-based, detailed characterization of 12 contemporary scalable scientific applications and benchmarks. Our analysis reveals numerous behaviors that sometimes contradict conventional wisdom about scientific applications. For example, the results reveal that only one of our applications executes more floating-point instructions than other types of instructions. In another example, we found that communication topologies are very regular, even for applications that, at first glance, should be highly irregular. These observations emphasize the necessity of measurement-driven analysis of real applications, and help prioritize features that should be included in future architectures.
C1 [Vetter, Jeffrey S.; Lee, Seyong; Li, Dong; McCurdy, Collin; Meredith, Jeremy; Roth, Philip C.; Spafford, Kyle] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Vetter, Jeffrey S.] Georgia Inst Technol, Atlanta, GA 30332 USA.
[Marin, Gabriel] Univ Tennessee Knoxville, Knoxville, TN 37996 USA.
RP Vetter, JS (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM vetter@computer.org
FU U.S. Department of Energy; Oak Ridge National Laboratory
[DE-AC05-00OR22725]
FX Support for this work was provided by U.S. Department of Energy, Office
of Science, Advanced Scientific Computing Research. The work was
performed at the Oak Ridge National Laboratory, which is managed by
UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 to the U.S.
Government. Accordingly, the U. S. Government retains a non-exclusive,
royalty- free license to publish or reproduce the published form of this
contribution, or allow others to do so, for U. S. Government purposes.
NR 32
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0302-9743
BN 978-3-319-10214-6; 978-3-319-10213-9
J9 LECT NOTES COMPUT SC
PY 2014
VL 8551
BP 3
EP 24
DI 10.1007/978-3-319-10214-6_1
PG 22
WC Computer Science, Information Systems; Computer Science, Theory &
Methods
SC Computer Science
GA BB7JA
UT WOS:000345593400001
ER
PT S
AU Cordery, MJ
Austin, B
Wassermann, HJ
Daley, CS
Wright, NJ
Hammond, SD
Doerfler, D
AF Cordery, M. J.
Austin, Brian
Wassermann, H. J.
Daley, C. S.
Wright, N. J.
Hammond, S. D.
Doerfler, D.
BE Jarvis, S
Wright, S
Hammond, S
TI Analysis of Cray XC30 Performance Using Trinity-NERSC-8 Benchmarks and
Comparison with Cray XE6 and IBM BG/Q
SO HIGH PERFORMANCE COMPUTING SYSTEMS: PERFORMANCE MODELING, BENCHMARKING
AND SIMULATION
SE Lecture Notes in Computer Science
LA English
DT Proceedings Paper
CT 4th International Workshop on Performance Modeling, Benchmarking and
Simulation of High-Performance Computing Systems (PMBS)
CY NOV 18, 2013
CL Denver, CO
DE Benchmarking; HPC; Performance
ID CODE
AB In this paper, we examine the performance of a suite of applications on three different architectures: Edison, a Cray XC30 with Intel Ivy Bridge processors; Hopper and Cielo, both Cray XE6's with AMD Magny-Cours processors; and Mira, an IBM BlueGene/Q with PowerPC A2 processors. The applications chosen are a subset of the applications used in a joint procurement effort between Lawrence Berkeley National Laboratory, Los Alamos National Laboratory and Sandia National Laboratories. Strong scaling results are presented, using both MPI-only and MPI+OpenMP execution models.
C1 [Cordery, M. J.; Austin, Brian; Wassermann, H. J.; Daley, C. S.; Wright, N. J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, NERSC, Berkeley, CA 94720 USA.
[Hammond, S. D.; Doerfler, D.] Sandia Natl Labs Albuquerque, Ctr Res Comp, Albuquerque, NM 87102 USA.
RP Cordery, MJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, NERSC, Berkeley, CA 94720 USA.
EM mjcordery@lbl.gov; baustin@lbl.gov; hjwasserman@lbl.gov;
csdaley@lbl.gov; njwright@lbl.gov; sdhammo@sandia.gov;
dwdoerf@sandia.gov
FU Office of Advanced Scientific Computing Research in the Department of
Energy Office of Science [DE-AC02-05CH11231]; Office of Science of the
U. S. Department of Energy [DE-AC02-05CH11231]; U.S. Department of
Energy's National Nuclear Security Administration (NNSA)
[DE-AC04-94AL85000]; Office of Science of the U.S. Department of Energy
[DE-AC02-06CH11357]
FX All authors from Lawrence Berkeley National Laboratory were supported by
the Office of Advanced Scientific Computing Research in the Department
of Energy Office of Science under contract number DE-AC02-05CH11231.
This research used resources of the National Energy Research Scientific
Computing Center (NERSC), which is supported by the Office of Science of
the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.
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 (NNSA) under contract DE-AC04-94AL85000.; 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.
NR 15
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0302-9743
BN 978-3-319-10214-6; 978-3-319-10213-9
J9 LECT NOTES COMPUT SC
PY 2014
VL 8551
BP 52
EP 72
DI 10.1007/978-3-319-10214-6_3
PG 21
WC Computer Science, Information Systems; Computer Science, Theory &
Methods
SC Computer Science
GA BB7JA
UT WOS:000345593400003
ER
PT S
AU Levy, S
Topp, B
Ferreira, KB
Arnold, D
Hoefler, T
Widener, P
AF Levy, Scott
Topp, Bryan
Ferreira, Kurt B.
Arnold, Dorian
Hoefler, Torsten
Widener, Patrick
BE Jarvis, S
Wright, S
Hammond, S
TI Using Simulation to Evaluate the Performance of Resilience Strategies at
Scale
SO HIGH PERFORMANCE COMPUTING SYSTEMS: PERFORMANCE MODELING, BENCHMARKING
AND SIMULATION
SE Lecture Notes in Computer Science
LA English
DT Proceedings Paper
CT 4th International Workshop on Performance Modeling, Benchmarking and
Simulation of High-Performance Computing Systems (PMBS)
CY NOV 18, 2013
CL Denver, CO
ID SYSTEMS; MODEL
AB Fault-tolerance has been identified as a major challenge for future extreme-scale systems. Current predictions suggest that, as systems grow in size, failures will occur more frequently. Because increases in failure frequency reduce the performance and scalability of these systems, significant effort has been devoted to developing and refining resilience mechanisms to mitigate the impact of failures. However, effective evaluation of these mechanisms has been challenging. Current systems are smaller and have significantly different architectural features (e.g., interconnect, persistent storage) than we expect to see in next-generation systems. To overcome these challenges, we propose the use of simulation. Simulation has been shown to be an effective tool for investigating performance characteristics of applications on future systems. In this work, we: identify the set of system characteristics that are necessary for accurate performance prediction of resilience mechanisms for HPC systems and applications; demonstrate how these system characteristics can be incorporated into an existing large-scale simulator; and evaluate the predictive performance of our modified simulator. We also describe how we were able to optimize the simulator for large temporal and spatial scales-allowing the simulator to run 4x faster and use over 100x less memory.
C1 [Levy, Scott; Topp, Bryan; Arnold, Dorian] Univ New Mexico, Dept Comp Sci, Albuquerque, NM 87131 USA.
[Ferreira, Kurt B.; Widener, Patrick] Sandia Natl Labs, Scalable Syst Software, Albuquerque, NM USA.
[Hoefler, Torsten] Swiss Fed Inst Technol, Dept Comp Sci, Zurich, Switzerland.
RP Levy, S (reprint author), Univ New Mexico, Dept Comp Sci, Albuquerque, NM 87131 USA.
EM slevy@cs.unm.edu; betopp@cs.unm.edu; kbferre@sandia.gov;
darnold@cs.unm.edu; htor@inf.ethz.ch; pwidene@sandia.gov
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04- 94AL85000]
FX Sandia National Laboratories is a multi-program laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U.S. Department of Energy's National Nuclear
Security Administration under contract DE-AC04- 94AL85000.
NR 38
TC 2
Z9 2
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0302-9743
BN 978-3-319-10214-6; 978-3-319-10213-9
J9 LECT NOTES COMPUT SC
PY 2014
VL 8551
BP 91
EP 114
DI 10.1007/978-3-319-10214-6_5
PG 24
WC Computer Science, Information Systems; Computer Science, Theory &
Methods
SC Computer Science
GA BB7JA
UT WOS:000345593400005
ER
PT S
AU McCurdy, C
Marin, G
Vetter, JS
AF McCurdy, Collin
Marin, Gabriel
Vetter, Jeffrey S.
BE Jarvis, S
Wright, S
Hammond, S
TI Characterizing the Impact of Prefetching on Scientific Application
Performance
SO HIGH PERFORMANCE COMPUTING SYSTEMS: PERFORMANCE MODELING, BENCHMARKING
AND SIMULATION
SE Lecture Notes in Computer Science
LA English
DT Proceedings Paper
CT 4th International Workshop on Performance Modeling, Benchmarking and
Simulation of High-Performance Computing Systems (PMBS)
CY NOV 18, 2013
CL Denver, CO
DE Performance evaluation; Data streaming; Prefetching
ID TOOLS
AB In order to better understand the impact of hardware and software data prefetching on scientific application performance, this paper introduces two analysis techniques, one micro-architecture-centric and the other application-centric. We use these techniques to analyze representative full-scale production applications from five important Exascale target areas. We find that despite a great diversity in prefetching effectiveness across and even within applications, there is a strong correlation between regions where prefetching is most needed, due to high levels of memory traffic, and where it is most effective. We also observe that the application-centric analysis can explain many of the differences in prefetching effectiveness observed across the studied applications.
C1 [McCurdy, Collin; Vetter, Jeffrey S.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Marin, Gabriel] Univ Tennessee, Knoxville, TN 37996 USA.
[Vetter, Jeffrey S.] Georgia Inst Technol, Atlanta, GA 30332 USA.
RP Marin, G (reprint author), Univ Tennessee, Knoxville, TN 37996 USA.
EM cmccurdy@ornl.gov; gmarin@utk.edu; vetter@ornl.gov
NR 23
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0302-9743
BN 978-3-319-10214-6; 978-3-319-10213-9
J9 LECT NOTES COMPUT SC
PY 2014
VL 8551
BP 115
EP 135
DI 10.1007/978-3-319-10214-6_6
PG 21
WC Computer Science, Information Systems; Computer Science, Theory &
Methods
SC Computer Science
GA BB7JA
UT WOS:000345593400006
ER
PT S
AU Sarje, A
Li, XYS
Hexemer, A
AF Sarje, Abhinav
Li, Xiaoye S.
Hexemer, Alexander
BE Jarvis, S
Wright, S
Hammond, S
TI Tuning HipGISAXS on Multi and Many Core Supercomputers
SO HIGH PERFORMANCE COMPUTING SYSTEMS: PERFORMANCE MODELING, BENCHMARKING
AND SIMULATION
SE Lecture Notes in Computer Science
LA English
DT Proceedings Paper
CT 4th International Workshop on Performance Modeling, Benchmarking and
Simulation of High-Performance Computing Systems (PMBS)
CY NOV 18, 2013
CL Denver, CO
AB With the continual development of multi and many-core architectures, there is a constant need for architecture-specific tuning of application-codes in order to realize high computational performance and energy efficiency, closer to the theoretical peaks of these architectures. In this paper, we present optimization and tuning of HipGISAXS, a parallel X-ray scattering simulation code [9], on various massively-parallel state-of-the-art supercomputers based on multi and many-core processors. In particular, we target clusters of general-purpose multi-cores such as Intel Sandy Bridge and AMD Magny Cours, and many-core accelerators like Nvidia Kepler GPUs and Intel Xeon Phi coprocessors. We present both high-level algorithmic and low-level architecture-aware optimization and tuning methodologies on these platforms. We cover a detailed performance study of our codes on single and multiple nodes of several current top-ranking supercomputers. Additionally, we implement autotuning of many of the algorithmic and optimization parameters for dynamic selection of their optimal values to ensure high-performance and high-efficiency.
C1 [Sarje, Abhinav; Li, Xiaoye S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
[Hexemer, Alexander] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Sarje, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
EM asarje@lbl.gov
FU U. S. Department of Energy [DE-AC02-05CH11231, DE-AC0500OR22725]; DOE
Early Caree
FX The authors thank Samuel Williams for the many helpful discussions, and
Nvidia for donating several Kepler GPU cards used in the development of
HipGISAXS. The authors also thank the rest of the HipGISAXS development
team, Slim Chourou and Elaine Chan. This work was supported by the
Director, Office of Science, of the U. S. Department of Energy under
Contract No. DE-AC02-05CH11231. This work was also supported by DOE
Early Career Award granted to Alexander Hexemer. This research used
resources of the National Energy Research Scientific Computing Center
(NERSC), which is supported by the Office of Science of the U. S.
Department of Energy under Contract No. DE-AC02-05CH11231, of the Oak
Ridge Leadership Computing Facility (OLCF) at the Oak Ridge National
Laboratory, which is supported by the Office of Science of the U. S.
Department of Energy under Contract No. DE-AC0500OR22725. The authors
further acknowledge the Texas Advanced Computing Center (TACC) at The
University of Texas at Austin for providing HPC resources that have
contributed to the research results reported within this paper.
NR 8
TC 1
Z9 1
U1 1
U2 2
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0302-9743
BN 978-3-319-10214-6; 978-3-319-10213-9
J9 LECT NOTES COMPUT SC
PY 2014
VL 8551
BP 217
EP 238
DI 10.1007/978-3-319-10214-6_11
PG 22
WC Computer Science, Information Systems; Computer Science, Theory &
Methods
SC Computer Science
GA BB7JA
UT WOS:000345593400011
ER
PT S
AU Balaprakash, P
Tiwari, A
Wild, SM
AF Balaprakash, Prasanna
Tiwari, Ananta
Wild, Stefan M.
BE Jarvis, S
Wright, S
Hammond, S
TI Multi Objective Optimization of HPC Kernels for Performance, Power, and
Energy
SO HIGH PERFORMANCE COMPUTING SYSTEMS: PERFORMANCE MODELING, BENCHMARKING
AND SIMULATION
SE Lecture Notes in Computer Science
LA English
DT Proceedings Paper
CT 4th International Workshop on Performance Modeling, Benchmarking and
Simulation of High-Performance Computing Systems (PMBS)
CY NOV 18, 2013
CL Denver, CO
ID TRADEOFFS; SYSTEMS
AB Code optimization in the high-performance computing realm has traditionally focused on reducing execution time. The problem, in mathematical terms, has been expressed as a single objective optimization problem. The expected concerns of next-generation systems, however, demand a more detailed analysis of the interplay among execution time and other metrics. Metrics such as power, performance, energy, and resiliency may all be targeted together and traded against one another. We present a multi objective formulation of the code optimization problem. Our proposed framework helps one explore potential tradeoffs among multiple objectives and provides a significantly richer analysis than can be achieved by treating additional metrics as hard constraints. We empirically examine a variety of metrics, architectures, and code optimization decisions and provide evidence that such tradeoffs exist in practice.
C1 [Balaprakash, Prasanna; Wild, Stefan M.] Argonne Natl Lab, Math & Comp Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Balaprakash, Prasanna] Argonne Natl Lab, Leadership Comp Facil, Argonne, IL 60439 USA.
[Tiwari, Ananta] Performance Modeling & Characterizat ( PMaC), San Diego, CA USA.
[Tiwari, Ananta] Supercomputer Ctr, La Jolla, CA USA.
RP Wild, SM (reprint author), Argonne Natl Lab, Math & Comp Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM pbalapra@mcs.anl.gov; tiwari@sdsc.edu; wild@anl.gov
RI Wild, Stefan/P-4907-2016
OI Wild, Stefan/0000-0002-6099-2772
FU U. S. Department of Energy
FX Support for this work was provided through the Scientific Discovery
through Advanced Computing (SciDAC) program funded by the U. S.
Department of Energy, Office of Science, Advanced Scientific Computing
Research. This research used the computational resources of the Argonne
Leadership Computing Facility under a Director's discretionary
allocation. We thank Paul Hovland and Laura Carrington for valuable
discussions and Kazutomo Yoshii for insights on the power monitoring
systems of BG/Q and Intel Xeon Phi and valuable feedback.
NR 36
TC 6
Z9 6
U1 0
U2 3
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0302-9743
BN 978-3-319-10214-6; 978-3-319-10213-9
J9 LECT NOTES COMPUT SC
PY 2014
VL 8551
BP 239
EP 260
DI 10.1007/978-3-319-10214-6_12
PG 22
WC Computer Science, Information Systems; Computer Science, Theory &
Methods
SC Computer Science
GA BB7JA
UT WOS:000345593400012
ER
PT S
AU Shan, HZ
Austin, B
De Jong, W
Oliker, L
Wright, NJ
Apra, E
AF Shan, Hongzhang
Austin, Brian
De Jong, Wibe
Oliker, Leonid
Wright, N. J.
Apra, Edoardo
BE Jarvis, S
Wright, S
Hammond, S
TI Performance Tuning of Fock Matrix and Two-Electron Integral Calculations
for NWChem on Leading HPC Platforms
SO HIGH PERFORMANCE COMPUTING SYSTEMS: PERFORMANCE MODELING, BENCHMARKING
AND SIMULATION
SE Lecture Notes in Computer Science
LA English
DT Proceedings Paper
CT 4th International Workshop on Performance Modeling, Benchmarking and
Simulation of High-Performance Computing Systems (PMBS)
CY NOV 18, 2013
CL Denver, CO
ID COMPUTATIONAL CHEMISTRY; MOLECULAR INTEGRALS
AB Attaining performance in the evaluation of two-electron repulsion integrals and constructing the Fock matrix is of considerable importance to the computational chemistry community. Due to its numerical complexity improving the performance behavior across a variety of leading supercomputing platforms is an increasing challenge due to the significant diversity in high-performance computing architectures. In this paper, we present our successful tuning methodology for these important numerical methods on the Cray XE6, the Cray XC30, the IBM BG/Q, as well as the Intel Xeon Phi. Our optimization schemes leverage key architectural features including vectorization and simultaneous multithreading, and results in speedups of up to 2.5x compared with the original implementation.
C1 [Shan, Hongzhang; Austin, Brian; De Jong, Wibe; Oliker, Leonid; Wright, N. J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, CRD, Berkeley, CA 94720 USA.
[Apra, Edoardo] Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA.
RP Shan, HZ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, CRD, Berkeley, CA 94720 USA.
EM hshan@lbl.gov; baustin@lbl.gov; wadejong@lbl.gov; loliker@lbl.gov;
njwright@lbl.gov; edoardo.apra@pnnl.gov
RI Apra, Edoardo/F-2135-2010
OI Apra, Edoardo/0000-0001-5955-0734
FU Office of Advanced Scientific Computing Research in the Department of
Energy Office of Science [DE-AC02-05CH11231]; Office of Science of the
U.S. Department of Energy [DE-AC02-05CH11231]
FX All authors from Lawrence Berkeley National Laboratory were supported by
the Office of Advanced Scientific Computing Research in the Department
of Energy Office of Science under contract number DE-AC02-05CH11231.
This research used resources of the National Energy Research Scientific
Computing Center (NERSC), which is supported by the Office of Science of
the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.
NR 15
TC 1
Z9 1
U1 0
U2 3
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0302-9743
BN 978-3-319-10214-6; 978-3-319-10213-9
J9 LECT NOTES COMPUT SC
PY 2014
VL 8551
BP 261
EP 280
DI 10.1007/978-3-319-10214-6_13
PG 20
WC Computer Science, Information Systems; Computer Science, Theory &
Methods
SC Computer Science
GA BB7JA
UT WOS:000345593400013
ER
PT S
AU Ghosh, P
Hammond, JR
Ghosh, S
Chapman, B
AF Ghosh, Priyanka
Hammond, Jeff R.
Ghosh, Sayan
Chapman, Barbara
BE Jarvis, S
Wright, S
Hammond, S
TI Performance Analysis of the NWChem TCE for Different Communication
Patterns
SO HIGH PERFORMANCE COMPUTING SYSTEMS: PERFORMANCE MODELING, BENCHMARKING
AND SIMULATION
SE Lecture Notes in Computer Science
LA English
DT Proceedings Paper
CT 4th International Workshop on Performance Modeling, Benchmarking and
Simulation of High-Performance Computing Systems (PMBS)
CY NOV 18, 2013
CL Denver, CO
DE NWChem; One-sided communication; Global Arrays; MPI-3; Tensor
contractions
ID TENSOR CONTRACTION ENGINE
AB One-sided communication is a model that separates communication from synchronization, and has been in practice for over two decades in libraries such as SHMEM and Global Arrays (GA). GA is used in a number of application codes, especially NWChem, and provides a superset of SHMEM functionality that includes remote accumulate, among other features. Remote accumulate is an active-message operation that applies y+ = a * x at the target rather than just y = x (as in Put) which gives the programmer additional choices with respect to algorithm design. In this paper, we discuss and evaluate communication scenarios for dense block-tensor contractions, one of the mainstays of the NWChem computation chemistry package. We show that apart from the classical approach involving dynamic scheduling of data blocks for load balancing, reordering one-sided Get and Accumulate calls affects the performance of tensor contractions on leadership-class machines substantially. In order to understand why this reordering affects the performance, we develop a proxy application for the NWChem Tensor Contraction Engine (TCE) module. We utilize this proxy application to compare different implementations with a focus on communication.
C1 [Ghosh, Priyanka; Ghosh, Sayan; Chapman, Barbara] Univ Houston, Dept Comp Sci, Houston, TX 77004 USA.
[Hammond, Jeff R.] Argonne Natl Lab, Leadership Comp Facil, Argonne, IL 60439 USA.
RP Hammond, JR (reprint author), Argonne Natl Lab, Leadership Comp Facil, Lemont, IL 60439 USA.
EM pghosh06@cs.uh.edu; jhammond@alcf.anl.gov; sgo@cs.uh.edu;
chapman@cs.uh.edu
OI Hammond, Jeff/0000-0003-3181-8190
FU Office of Science of the U. S. Department of Energy [DE-AC02-06CH11357]
FX 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.
NR 18
TC 0
Z9 0
U1 0
U2 1
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0302-9743
BN 978-3-319-10214-6; 978-3-319-10213-9
J9 LECT NOTES COMPUT SC
PY 2014
VL 8551
BP 281
EP 294
DI 10.1007/978-3-319-10214-6_14
PG 14
WC Computer Science, Information Systems; Computer Science, Theory &
Methods
SC Computer Science
GA BB7JA
UT WOS:000345593400014
ER
PT J
AU Leite, MS
Ruzmetov, D
Li, ZP
Bendersky, LA
Bartelt, NC
Kolmakov, A
Talin, AA
AF Leite, Marina S.
Ruzmetov, Dmitry
Li, Zhipeng
Bendersky, Leonid A.
Bartelt, Norman C.
Kolmakov, Andrei
Talin, A. Alec
TI Insights into capacity loss mechanisms of all-solid-state Li-ion
batteries with Al anodes
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID ELECTROCHEMICAL LITHIATION; ELECTRODE MATERIALS; LITHIUM; ALUMINUM;
DIFFUSION; SILICON; DELITHIATION; SYSTEM
AB The atomistic mechanism for lithiation/delithiation in all-solid-state batteries is still an open question, and the 'holy grail' to engineer devices with extended lifetime. Here, by combining real-time scanning electron microscopy in ultra-high vacuum with electrochemical cycling, we quantify the dynamic degradation of Al anodes in Li-ion all-solid-state batteries, a promising alternative for ultra lightweight devices. We find that AlLi alloy mounds are formed on the top surface of the Al anode and that degradation of battery capacity occurs because of Li trapped in them. Our approach establishes a new platform for probing the real-time degradation of electrodes, and can be expanded to other complex systems, allowing for high throughput characterization of batteries with nanoscale resolution.
C1 [Leite, Marina S.] Inst Res Elect & Appl Phys, Dept Mat Sci & Engn, College Pk, MD 20742 USA.
[Leite, Marina S.; Ruzmetov, Dmitry; Kolmakov, Andrei; Talin, A. Alec] NIST, Ctr Nanoscale Sci & Technol, Gaithersburg, MD 20899 USA.
[Leite, Marina S.; Ruzmetov, Dmitry] Univ Maryland, Maryland NanoCtr, College Pk, MD 20899 USA.
[Li, Zhipeng; Bendersky, Leonid A.] NIST, Mat Measurement Lab, Gaithersburg, MD 20899 USA.
[Bartelt, Norman C.; Talin, A. Alec] Sandia Natl Labs, Livermore, CA USA.
RP Leite, MS (reprint author), Inst Res Elect & Appl Phys, Dept Mat Sci & Engn, College Pk, MD 20742 USA.
EM mleite@umd.edu
RI Kolmakov, Andrei/B-1460-2017
OI Kolmakov, Andrei/0000-0001-5299-4121
FU University of Maryland; National Institute of Standards and Technology
Center for Nanoscale Science and Technology through the University of
Maryland [70NANB10H193]; Laboratory Directed Research and Development
Program at Sandia National Laboratories; U.S. DOE National Nuclear
Security Administration [DE-AC04-94AL85000]; DOE Office of Basic Energy
Sciences, Division of Materials Science and Engineering; U.S. Department
of Energy, Office of Science, and Office of Basic Energy Sciences
[DESC0001160]
FX The authors acknowledge N. Zhitenev and N. Hudak for fruitful
discussions, J. Schumacher for FIB-ed sample preparation for TEM
measurements and Nanofab at CNST. MSL and DR 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. This work was partially supported by the
Laboratory Directed Research and Development Program at Sandia National
Laboratories. Sandia is a multi-program laboratory operated by Sandia
Corporation, a Lockheed Martin Company, for the U.S. DOE National
Nuclear Security Administration under Contract DE-AC04-94AL85000. NCB
was supported by the DOE Office of Basic Energy Sciences, Division of
Materials Science and Engineering. AAT acknowledges partial support for
data analysis and writing of the manuscript by Science of Precision
Multifunctional Nanostructures for Electrical Energy Storage (NEES), an
Energy Frontier Research Center funded by the U.S. Department of Energy,
Office of Science, and Office of Basic Energy Sciences under award
DESC0001160.
NR 27
TC 6
Z9 6
U1 10
U2 75
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 2014
VL 2
IS 48
BP 20552
EP 20559
DI 10.1039/c4ta03716b
PG 8
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA AU3RL
UT WOS:000345531200019
ER
PT J
AU Tan, GJ
Shi, FY
Sun, H
Zhao, LD
Uher, C
Dravid, VP
Kanatzidis, MG
AF Tan, Gangjian
Shi, Fengyuan
Sun, Hui
Zhao, Li-Dong
Uher, Ctirad
Dravid, Vinayak P.
Kanatzidis, Mercouri G.
TI SnTe-AgBiTe2 as an efficient thermoelectric material with low thermal
conductivity
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID PERFORMANCE BULK THERMOELECTRICS; P-TYPE AGSNMSBTEM+2; HIGH FIGURE;
SOLID-SOLUTIONS; SNTE; ALLOYS; MERIT; PBTE; AGPBMSBTE2+M; CONVERGENCE
AB SnTe is an intriguing alternative to its sister compound PbTe in thermoelectric energy conversion because of their electronic and structural similarity; however, it is challenging to optimize its thermoelectric performance to the level of PbTe because of the difficulties in decreasing its intrinsically large hole population and high thermal conductivity arising from the tin vacancies. We demonstrate here that by alloying some AgBiTe2 in SnTe, thus forming AgSnxBiTex+2 compositions the hole concentration can be duly decreased because of the high efficiency of Bi as an electron donor. The lattice thermal conductivity is also decreased due to the strong scattering of phonons (by point defect scattering as well as Ag-rich nanostructures) to achieve a value of similar to 0.7 W m(-1) K-1 at similar to 750 K. As a result, a high thermoelectric figure ZT of merit of similar to 1.1 at 775 K is achieved by chemical composition optimization (x similar to 15), making lead free SnTe-AgBiTe2 a promising thermoelectric material.
C1 [Tan, Gangjian; Zhao, Li-Dong; Kanatzidis, Mercouri G.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.
[Shi, Fengyuan; Dravid, Vinayak P.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA.
[Sun, Hui; Uher, Ctirad] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA.
[Kanatzidis, Mercouri G.] Argonne Natl Lab, Mat Sci Div, Argonne, IL 60439 USA.
RP Kanatzidis, MG (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.
EM m-kanatzidis@northwestern.edu
RI Sun, Hui/D-3411-2014; Shi, Fengyuan/Q-2584-2015;
OI Sun, Hui/0000-0002-9745-3510; Shi, Fengyuan/0000-0001-9769-3824; Tan,
Gangjian/0000-0002-9087-4048
FU Revolutionary Materials for Solid State Energy Conversion, an Energy
Frontier Research Center - U.S. Department of Energy, Office of Science
[DE-SC0001054]; Revolutionary Materials for Solid State Energy
Conversion, an Energy Frontier Research Center - U.S. Department of
Energy, Office of Basic Energy Sciences [DE-SC0001054]
FX This work was supported as part of the Revolutionary Materials for Solid
State Energy Conversion, an Energy Frontier Research Center funded by
the U.S. Department of Energy, Office of Science, and Office of Basic
Energy Sciences under Award Number DE-SC0001054. Transmission electron
microscopy work was partially performed in the EPIC facility of the
NUANCE Center at Northwestern University.
NR 41
TC 25
Z9 25
U1 14
U2 87
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 2014
VL 2
IS 48
BP 20849
EP 20854
DI 10.1039/c4ta05530f
PG 6
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA AU3RL
UT WOS:000345531200054
ER
PT J
AU Dai, Y
Cai, SD
Wu, LJ
Yang, WJ
Xie, JY
Wen, W
Zheng, JC
Zhu, YM
AF Dai, Yang
Cai, Sendan
Wu, Lijun
Yang, Weijing
Xie, Jingying
Wen, Wen
Zheng, Jin-Cheng
Zhu, Yimei
TI Surface modified CFx cathode material for ultrafast discharge and high
energy density
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID PRIMARY LITHIUM BATTERY; DIAMOND POLYTYPES; FLUORINATION; PERFORMANCE;
CARBONS
AB Li/CFx primary possesses the highest energy density of 2180 W h kg(-1) among all primary lithium batteries. However, a key limitation for the utility of this type of battery is in its poor rate capability because the cathode material, CFx, is an intrinsically poor electronic conductor. Here, we report on our development of a controlled process of surface de-fluorination under mild hydrothermal conditions to modify the highly fluorinated CFx. The modified CFx, consisting of an in situ generated shell component of F-graphene layers, possesses good electronic conductivity and removes the transporting barrier for lithium ions, yielding a high-capacity performance and an excellent rate-capability. Indeed, a capacity of 500 mA h g(-1) and a maximum power density of 44 800 W kg(-1) can be realized at the ultrafast rate of 30 C (24 A g(-1)), which is over one order of magnitude higher than that of the state-of-the-art primary lithium-ion batteries.
C1 [Dai, Yang; Cai, Sendan; Yang, Weijing; Xie, Jingying] Shanghai Inst Space Power Sources, Shanghai 200245, Peoples R China.
[Zheng, Jin-Cheng] Xiamen Univ, Fujian Prov Key Lab Theoret & Computat Chem, Dept Phys, Xiamen 361005, Peoples R China.
[Wu, Lijun; Zhu, Yimei] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
[Wen, Wen] BL14B1 Shanghai Synchrotron Radiat Facil, Shanghai 201204, Peoples R China.
[Xie, Jingying] Shanghai Engn Ctr Power & Energy Storage Syst, Shanghai 200245, Peoples R China.
[Dai, Yang; Cai, Sendan] Shanghai Univ, Sch Environm & Chem Engn, Dept Chem Engn, Shanghai 200444, Peoples R China.
RP Xie, JY (reprint author), Shanghai Inst Space Power Sources, Shanghai 200245, Peoples R China.
EM Jyxie@mail.sim.ac.cn; jczheng@xmu.edu.cn; zhu@bnl.gov
RI Zheng, JC/G-3383-2010
OI Zheng, JC/0000-0002-6292-3236
FU National Natural Science Foundation of China [21103109, 21373137,
U1232110]; Shanghai Science and Technology Talent Program [12XD1421900];
specialized research fund for the doctoral program of higher education
[20100121120026]; U.S. Department of Energy, Office of Basic Energy
Sciences [DE-AC02-98CH10886]
FX Financial support from the National Natural Science Foundation of China
(no. 21103109, no. 21373137 and no. U1232110) and Shanghai Science and
Technology Talent Program (no. 12XD1421900) is greatly appreciated. We
also acknowledge the specialized research fund for the doctoral program
of higher education (no. 20100121120026). The work at Brookhaven
National Laboratory is supported by the U.S. Department of Energy,
Office of Basic Energy Sciences, under Contract no. DE-AC02-98CH10886.
NR 21
TC 6
Z9 6
U1 4
U2 42
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 2014
VL 2
IS 48
BP 20896
EP 20901
DI 10.1039/c4ta05492j
PG 6
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA AU3RL
UT WOS:000345531200060
ER
PT S
AU Schordan, M
Lowe, W
Beyer, D
AF Schordan, Markus
Lowe, Welf
Beyer, Dirk
BE Margaria, T
Steffen, B
TI Evaluation and Reproducibility of Program Analysis
SO LEVERAGING APPLICATIONS OF FORMAL METHODS, VERIFICATION AND VALIDATION:
SPECIALIZED TECHNIQUES AND APPLICATIONS, PT II
SE Lecture Notes in Computer Science
LA English
DT Proceedings Paper
CT 6th International Symposium on Leveraging Applications of Formal
Methods, Verification and Validation (ISoLA)
CY OCT 08-11, 2014
CL Imperial, GREECE
C1 [Schordan, Markus] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA.
[Lowe, Welf] Linnaeus Univ, Dept Comp Sci, Vaxjo, Sweden.
[Beyer, Dirk] Univ Passau, Fac Comp Sci & Math, Passau, Germany.
RP Schordan, M (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA.
EM schordan1@llnl.gov; welf.lowe@lnu.se
NR 11
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0302-9743
BN 978-3-662-45231-8; 978-3-662-45230-1
J9 LECT NOTES COMPUT SC
PY 2014
VL 8803
BP 479
EP 481
PG 3
WC Computer Science, Artificial Intelligence; Computer Science, Software
Engineering; Computer Science, Theory & Methods
SC Computer Science
GA BB7GD
UT WOS:000345509600037
ER
PT S
AU Schordan, M
Lin, PH
Quinlan, D
Pouchet, LN
AF Schordan, Markus
Lin, Pei-Hung
Quinlan, Dan
Pouchet, Louis-Noel
BE Margaria, T
Steffen, B
TI Verification of Polyhedral Optimizations with Constant Loop Bounds in
Finite State Space Computations
SO LEVERAGING APPLICATIONS OF FORMAL METHODS, VERIFICATION AND VALIDATION:
SPECIALIZED TECHNIQUES AND APPLICATIONS, PT II
SE Lecture Notes in Computer Science
LA English
DT Proceedings Paper
CT 6th International Symposium on Leveraging Applications of Formal
Methods, Verification and Validation (ISoLA)
CY OCT 08-11, 2014
CL Imperial, GREECE
ID TRANSFORMATIONS
AB As processors gain in complexity and heterogeneity, compilers are asked to perform program transformations of ever-increasing complexity to effectively map an input program to the target hardware. It is critical to develop methods and tools to automatically assert the correctness of programs generated by such modern optimizing compilers.
We present a framework to verify if two programs (one possibly being a transformed variant of the other) are semantically equivalent. We focus on scientific kernels and a state-of-the-art polyhedral compiler implemented in ROSE. We check the correctness of a set of polyhedral transformations by combining the computation of a state transition graph with a rewrite system to transform floating point computations and array update operations of one program such that we can match them as terms with those of the other program. We demonstrate our approach on a collection of benchmarks from the PolyBench/C suite.
C1 [Schordan, Markus; Lin, Pei-Hung; Quinlan, Dan] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Pouchet, Louis-Noel] Univ Calif Los Angeles, Los Angeles, CA 90024 USA.
RP Schordan, M (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
EM schordan1@llnl.gov; lin32@llnl.gov; dquinlan@llnl.gov;
pouchet@cs.ucla.edu
NR 19
TC 2
Z9 2
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0302-9743
BN 978-3-662-45231-8; 978-3-662-45230-1
J9 LECT NOTES COMPUT SC
PY 2014
VL 8803
BP 493
EP 508
PG 16
WC Computer Science, Artificial Intelligence; Computer Science, Software
Engineering; Computer Science, Theory & Methods
SC Computer Science
GA BB7GD
UT WOS:000345509600041
ER
PT J
AU Leong, GJ
Ebnonnasir, A
Schulze, MC
Strand, MB
Ngo, C
Maloney, D
Frisco, SL
Dinh, HN
Pivovar, B
Gilmer, GH
Kodambaka, S
Ciobanu, CV
Richards, RM
AF Leong, G. Jeremy
Ebnonnasir, Abbas
Schulze, Maxwell C.
Strand, Matthew B.
Ngo, Chilan
Maloney, David
Frisco, Sarah L.
Dinh, Huyen N.
Pivovar, Bryan
Gilmer, George H.
Kodambaka, Suneel
Ciobanu, Cristian V.
Richards, Ryan M.
TI Shape-directional growth of Pt and Pd nanoparticles
SO NANOSCALE
LA English
DT Article
ID OXYGEN REDUCTION REACTION; MESOPOROUS PLATINUM NANOPARTICLES; DEPENDENT
CATALYTIC-ACTIVITY; COUPLING REACTIONS; PALLADIUM NANOCRYSTALS;
CRYSTAL-SURFACES; HYDROGENATION; SIZE; SELECTIVITY; OXIDATION
AB The design and synthesis of shape-directed nanoscale noble metal particles have attracted much attention due to their enhanced catalytic properties and the opportunities to study fundamental aspects of nanoscale systems. As such, numerous methods have been developed to synthesize crystals with tunable shapes, sizes, and facets by adding foreign species that promote or restrict growth on specific sites. Many hypotheses regarding how and why certain species direct growth have been put forward, however there has been no consensus on a unifying mechanism of nanocrystal growth. Herein, we develop and demonstrate the capabilities of a mathematical growth model for predicting metal nanoparticle shapes by studying a well known procedure that employs AgNO3 to produce {111} faceted Pt nanocrystals. The insight gained about the role of auxiliary species is then utilized to predict the shape of Pd nanocrystals and to corroborate other shape-directing syntheses reported in literature. The fundamental understanding obtained herein by combining modeling with experimentation is a step toward computationally guided syntheses and, in principle, applicable to predictive design of the growth of crystalline solids at all length scales (nano to bulk).
C1 [Leong, G. Jeremy; Schulze, Maxwell C.; Strand, Matthew B.; Maloney, David; Frisco, Sarah L.; Richards, Ryan M.] Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA.
[Leong, G. Jeremy; Dinh, Huyen N.; Pivovar, Bryan] Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA.
[Ebnonnasir, Abbas; Gilmer, George H.; Ciobanu, Cristian V.] Colorado Sch Mines, Dept Mech Engn, Golden, CO 80401 USA.
[Ebnonnasir, Abbas; Ngo, Chilan; Kodambaka, Suneel] Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA.
RP Richards, RM (reprint author), Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA.
EM rrichard@mines.edu
RI Ciobanu, Cristian/B-3580-2009; Richards, Ryan/B-3513-2008; Ngo,
Chilan/C-7271-2016
OI Ngo, Chilan/0000-0003-4084-098X
FU Laboratory Directed Research and Development (LDRD) Program at the
National Renewable Energy Laboratory [UGA-0-41025-05]; Lawrence
Livermore National Laboratory [B601600]; NSF [CMMI-0846858, CHE-1214068,
CMMI-1200547]
FX This work is funded in part by the Laboratory Directed Research and
Development (LDRD) Program at the National Renewable Energy Laboratory,
under contract award UGA-0-41025-05. NREL is a national laboratory of
the U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy, operated by the Alliance for Sustainable Energy, LLC. GHG and
CVC acknowledge support from Lawrence Livermore National Laboratory
(Contract B601600). CVC, RMR, and SK acknowledge support from NSF
through Grant nos. CMMI-0846858, CHE-1214068, and CMMI-1200547,
respectively.
NR 56
TC 6
Z9 6
U1 5
U2 67
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 2014
VL 6
IS 19
BP 11364
EP 11371
DI 10.1039/c4nr02755h
PG 8
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA AU2LR
UT WOS:000345450300036
PM 25142814
ER
PT J
AU Park, WI
Tong, S
Liu, YZ
Jung, IW
Roelofs, A
Hong, S
AF Park, Woon Ik
Tong, Sheng
Liu, Yuzi
Jung, Il Woong
Roelofs, Andreas
Hong, Seungbum
TI Tunable and rapid self-assembly of block copolymers using mixed solvent
vapors
SO NANOSCALE
LA English
DT Article
ID THIN-FILMS; TEMPLATES; NANOLITHOGRAPHY; LITHOGRAPHY; PATTERNS;
NANOSTRUCTURES; GRAPHOEPITAXY; ORIENTATION; TEMPERATURE; FABRICATION
AB Pattern generation of well-controlled block copolymers (BCPs) with a high Flory-Huggins interaction parameter (chi) is important for applications in sub-20 nm nanolithography. We used mixed solvents of dimethylformamide (DMF) and toluene to control the morphology as well as the time to achieve the targeted morphology via self-assembly of BCPs. By precisely controlling the volume ratio of DMF and toluene, well-ordered line, honeycomb, circular hole, and lamellar nanostructures were obtained from a cylinder-forming poly(styrene-b-2-vinylpyridine) (PS-b-P2VP) BCP with high chi. Furthermore, a well-aligned 12 nm line pattern was successfully achieved in the guiding template within one minute using the mixed solvents. This practical method may also be applicable to self-assembly of other BCPs, providing more opportunities for the next-generation sub-10 nm lithography applications.
C1 [Park, Woon Ik; Hong, Seungbum] Argonne Natl Lab, Mat Sci Div, Lemont, IL 60439 USA.
[Tong, Sheng; Liu, Yuzi; Jung, Il Woong; Roelofs, Andreas] Argonne Natl Lab, Nanosci & Technol Div, Lemont, IL 60439 USA.
RP Hong, S (reprint author), Argonne Natl Lab, Mat Sci Div, Lemont, IL 60439 USA.
EM hong@anl.gov
RI Tong, Sheng/A-2129-2011; Hong, Seungbum/B-7708-2009; Roelofs,
Andreas/H-1742-2011; Liu, Yuzi/C-6849-2011;
OI Tong, Sheng/0000-0003-0355-7368; Hong, Seungbum/0000-0002-2667-1983;
Roelofs, Andreas/0000-0003-4141-3082; Park, Woon Ik/0000-0002-2577-477X
FU U.S. Department of Energy, Office of Science, Materials Sciences and
Engineering Division; U. S. Department of Energy, Office of Science,
Office of Basic Energy Sciences [DE-AC02-06CH11357]
FX The work was supported by the U.S. Department of Energy, Office of
Science, Materials Sciences and Engineering Division. Use of the Center
for Nanoscale Materials for SEM and RIE experiments was supported by the
U. S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, under Contract No. DE-AC02-06CH11357.
NR 42
TC 8
Z9 8
U1 7
U2 51
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 2014
VL 6
IS 24
BP 15216
EP 15221
DI 10.1039/c4nr04726e
PG 6
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA AU2OP
UT WOS:000345458200077
PM 25380519
ER
PT J
AU Li, YY
Qi, ZM
Liu, M
Wang, YY
Cheng, XR
Zhang, GB
Sheng, LS
AF Li, Yuanyuan
Qi, Zeming
Liu, Miao
Wang, Yuyin
Cheng, Xuerui
Zhang, Guobin
Sheng, Liusi
TI Photoluminescence of monolayer MoS2 on LaAlO3 and SrTiO3 substrates
SO NANOSCALE
LA English
DT Article
ID TRANSITION-METAL DICHALCOGENIDES; LAYER MOS2; SINGLE-LAYER; BAND
OFFSETS; TRANSISTORS; SEMICONDUCTOR; PHOTOTRANSISTORS; GRAPHENE;
DEVICES; SURFACE
AB In an atomically thin-film/dielectric-substrate heterostructure, the elemental physical properties of the atomically thin-film are influenced by the interaction between the thin-film and the substrate. In this article, utilizing monolayer MoS2 on LaAlO3 and SrTiO3 substrates, as well as SiO2 and Gel-film as reference substrates similar to previously reported work [Nano Res, 2014, 7, 561], we systematically investigate the substrate effect on the photoluminescence of monolayer MoS2. We observed significantly substrate-dependant photoluminescence of monolayer MoS2, originating from substrate-to-film charge transfer. We found that SiO2 substrate introduces the most charge doping while SrTiO3 introduces less charge transfer. Through the selection of desired substrate, we are able to induce different amounts of charge into the monolayer MoS2, which consequently modifies the neutral exciton and charged exciton (trion) emissions. Finally, we proposed a band-diagram model to elucidate the relation between charge transfer and the substrate Fermi level and work function. Our work demonstrates that the substrate charge transfer exerts a strong influence on the monolayer MoS2 photoluminescence property, which should be considered during device design and application. The work also provides a possible route to modify the thin-film photoluminescence property via substrate engineering for future device design.
C1 [Li, Yuanyuan; Qi, Zeming; Wang, Yuyin; Zhang, Guobin; Sheng, Liusi] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China.
[Liu, Miao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Cheng, Xuerui] Zhengzhou Univ Light Ind, Dept Technol & Phys, Zhengzhou 450002, Peoples R China.
RP Qi, ZM (reprint author), Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China.
EM zmqi@ustc.edu.cn
RI Liu, Miao/N-9937-2013;
OI Liu, Miao/0000-0002-1843-9519; li, yuanyuan/0000-0003-4808-3696
FU National Natural Science Foundation of China [11275203, U1232128,
U1232129]
FX This work is supported by the National Natural Science Foundation of
China (no. 11275203, U1232128 and U1232129). The authors thank Prof. Li
Song and Dr Peng Wu for their help with Raman experiments, and Dr Dongli
Wang for her help with the preparation of TiO2-terminated
SrTiO3.
NR 41
TC 24
Z9 24
U1 19
U2 133
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 2014
VL 6
IS 24
BP 15248
EP 15254
DI 10.1039/c4nr04602a
PG 7
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA AU2OP
UT WOS:000345458200081
PM 25382775
ER
PT J
AU van Bokhoven, JA
Vajda, S
AF van Bokhoven, Jeroen A.
Vajda, Stefan
TI Size selected clusters and particles: from physical chemistry and
chemical physics to catalysis
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Editorial Material
C1 [van Bokhoven, Jeroen A.] ETH, Inst Chem & Bioengn, CH-8093 Zurich, Switzerland.
[van Bokhoven, Jeroen A.] Paul Scherrer Inst, CH-5232 Villigen, Switzerland.
[Vajda, Stefan] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Vajda, Stefan] Argonne Natl Lab, Nanosci & Technol Div, Argonne, IL 60439 USA.
[Vajda, Stefan] Yale Univ, Sch Engn, Dept Chem & Environm Engn, New Haven, CT 06520 USA.
[Vajda, Stefan] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA.
RP van Bokhoven, JA (reprint author), ETH, Inst Chem & Bioengn, CH-8093 Zurich, Switzerland.
EM jeroen.vanbokhoven@chem.ethz.ch; vajda@anl.gov
NR 0
TC 4
Z9 4
U1 1
U2 30
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 48
BP 26418
EP 26420
DI 10.1039/c4cp90163k
PG 3
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AU2MS
UT WOS:000345453200001
PM 25373845
ER
PT J
AU Liu, C
He, HY
Zapol, P
Curtiss, LA
AF Liu, Cong
He, Haiying
Zapol, Peter
Curtiss, Larry A.
TI Computational studies of electrochemical CO2 reduction on subnanometer
transition metal clusters
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID SINGLE-CRYSTAL ELECTRODES; EFFECTIVE CORE POTENTIALS; INITIO
MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET;
CARBON-DIOXIDE; OXYGEN REDUCTION; ELECTROCATALYTIC CONVERSION; OXIDATION
ELECTROCATALYSIS; PALLADIUM CLUSTERS
AB Computational studies of electrochemical reduction of CO2 to CO, HCOOH and CH4 were carried out using tetra-atomic transition metal clusters (Fe-4, Co-4, Ni-4, Cu-4 and Pt-4) at the B3LYP level of theory. Novel catalytic properties were discovered for these subnanometer clusters, suggesting that they may be good candidate materials for CO2 reduction. The calculated overpotentials for producing CH4 are in the order, Co-4 < Fe-4 < Ni-4 < Cu-4 < Pt-4, with both Co-4 and Fe-4 having overpotentials less than 1 V. Investigation of the effects of supports found that a Cu-4 cluster on a graphene defect site has a limiting potential for producing CH4 comparable to that of a Cu (111) surface. However, due to the strong electronic interaction with the Cu-4 cluster, the defective graphene support has the advantage of significantly increasing the limiting potentials for the reactions competing with CH4, such as the hydrogen evolution reaction (HER) and CO production.
C1 [Liu, Cong; He, Haiying; Zapol, Peter; Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA.
RP Curtiss, LA (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Lemont, IL 60439 USA.
EM curtiss@anl.gov
RI Zapol, Peter/G-1810-2012;
OI Zapol, Peter/0000-0003-0570-9169; Liu, Cong/0000-0002-2145-5034
FU U.S. Department of Energy from Division of Materials Science and
Engineering, Basic Energy Sciences, Office of Science
[DE-AC0206CH11357]; ANL
FX This work was supported by the U.S. Department of Energy under Contract
DE-AC0206CH11357 from Division of Materials Science and Engineering,
Basic Energy Sciences, Office of Science. We gratefully acknowledge the
computing resources provided on "Fusion", a 320-node computing cluster
operated by the Laboratory Computing Resource Center at Argonne National
Laboratory (ANL). We also thank the support of the Director's
Postdoctoral Fellowship from ANL to Cong Liu.
NR 81
TC 13
Z9 13
U1 16
U2 82
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 48
BP 26584
EP 26599
DI 10.1039/c4cp02690j
PG 16
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AU2MS
UT WOS:000345453200022
PM 25158148
ER
PT J
AU Mao, BH
Chang, R
Shi, L
Zhuo, QQ
Rani, S
Liu, XS
Tyo, EC
Vajda, S
Wang, SD
Liu, Z
AF Mao, Bao-Hua
Chang, Rui
Shi, Lei
Zhuo, Qi-Qi
Rani, Sana
Liu, Xiao-Song
Tyo, Eric C.
Vajda, Stefan
Wang, Sui-Dong
Liu, Zhi
TI A near ambient pressure XPS study of subnanometer silver clusters on
Al2O3 and TiO2 ultrathin film supports
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID IN-SITU GISAXS; PHOTOELECTRON-SPECTROSCOPY; OXIDE-FILMS;
ELECTRONIC-STRUCTURE; OXYGEN-ADSORPTION; IONIC DIFFUSION; SURFACE
SCIENCE; METAL CRYSTALS; GROWTH; SIZE
AB We have investigated model systems of silver clusters with different sizes (3 and 15 atoms) deposited on alumina and titania supports using ambient pressure X-ray photoelectron spectroscopy. The electronic structures of silver clusters and support materials are studied upon exposure to various atmospheres (ultrahigh vacuum, O-2 and CO) at different temperatures. Compared to bulk silver, the binding energies of silver clusters are about 0.55 eV higher on TiO2 and 0.95 eV higher on Al2O3 due to the final state effect and the interaction with supports. No clear size effect of the silver XPS peak is observed on different silver clusters among these samples. Silver clusters on titania show better stability against sintering. Al 2p and Ti 2p core level peak positions of the alumina and titania support surfaces change upon exposure to oxygen while the Ag 3d core level position remains unchanged. We discuss the origin of these core level shifts and their implications for catalytic properties of Ag clusters.
C1 [Mao, Bao-Hua; Wang, Sui-Dong] Soochow Univ, Western Univ Joint Ctr Synchrotron Radiat Res, Inst Funct Nano & Soft Mat FUNSOM, Suzhou 215123, Jiangsu, Peoples R China.
[Mao, Bao-Hua; Wang, Sui-Dong] Soochow Univ, Collaborat Innovat Ctr Suzhou Nano Sci & Technol, Suzhou 215123, Jiangsu, Peoples R China.
[Mao, Bao-Hua; Chang, Rui; Shi, Lei; Liu, Xiao-Song; Liu, Zhi] Chinese Acad Sci, Shanghai Inst Microsyst & Informat Technol, State Key Lab Funct Mat Informat, Shanghai 200050, Peoples R China.
[Mao, Bao-Hua; Chang, Rui; Zhuo, Qi-Qi; Rani, Sana; Liu, Xiao-Song; Liu, Zhi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Tyo, Eric C.; Vajda, Stefan] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Tyo, Eric C.; Vajda, Stefan] Yale Univ, Sch Engn & Appl Sci, Dept Chem & Environm Engn, New Haven, CT 06520 USA.
[Vajda, Stefan] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA.
RP Wang, SD (reprint author), Soochow Univ, Western Univ Joint Ctr Synchrotron Radiat Res, Inst Funct Nano & Soft Mat FUNSOM, Suzhou 215123, Jiangsu, Peoples R China.
EM wangsd@suda.edu.cn; zliu2@mail.sim.ac.cn
RI Wang, Sui-Dong/E-6063-2013; Liu, Zhi/B-3642-2009
OI Liu, Zhi/0000-0002-8973-6561
FU National Natural Science Foundation of China [11227902, 61274019,
51033007]; Priority Academic Program Development of Jiangsu Higher
Education Institutions (PAPD); U.S. Department of Energy, BES-Materials
Sciences [DE-AC-02-06CH11357]; U.S. Department of Energy, Office of
Basic Energy Sciences [DE-AC02-06CH11357]; UChicago Argonne, LLC
FX We thank National Natural Science Foundation of China (No. 11227902,
61274019, 51033007) and the Priority Academic Program Development of
Jiangsu Higher Education Institutions (PAPD) for their support. The work
at Argonne National Laboratory (E.C.T. & S.V.) was supported by the U.S.
Department of Energy, BES-Materials Sciences, under Contract
DE-AC-02-06CH11357, with UChicago Argonne, LLC, the operator of Argonne
National Laboratory. The authors also thank Dr Michael Pellin and
Marshall Mendelsohn for coating the silica chips with ALD alumina and
titania, and Dr Sonke Seifert for his assistance at the GISAXS
experiments performed at the 12-ID-C beamline of the Advanced Photon
Source of Argonne National Laboratory. The use of the Advanced Photon
Source was supported by the U.S. Department of Energy, Office of Basic
Energy Sciences, under contract No. DE-AC02-06CH11357.
NR 65
TC 6
Z9 6
U1 12
U2 93
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 48
BP 26645
EP 26652
DI 10.1039/c4cp02325k
PG 8
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AU2MS
UT WOS:000345453200029
PM 25372410
ER
PT J
AU Cole, JM
Low, KS
Ozoe, H
Stathi, P
Kitamura, C
Kurata, H
Rudolf, P
Kawase, T
AF Cole, Jacqueline M.
Low, Kian Sing
Ozoe, Hiroaki
Stathi, Panagiota
Kitamura, Chitoshi
Kurata, Hiroyuki
Rudolf, Petra
Kawase, Takeshi
TI Data mining with molecular design rules identifies new class of dyes for
dye-sensitised solar cells
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID ORGANIC-DYES; PERFORMANCE; ENERGY; PHOTOVOLTAICS; EFFICIENCY; TIO2;
REGENERATION; DERIVATIVES; CONVERSION
AB A major deficit in suitable dyes is stifling progress in the dye-sensitised solar cell (DSC) industry. Materials discovery strategies have afforded numerous new dyes; yet, corresponding solution-based DSC device performance has little improved upon 11% efficiency, achieved using the N719 dye over two decades ago. Research on these dyes has nevertheless revealed relationships between the molecular structure of dyes and their associated DSC efficiency. Here, such structure-property relationships have been codified in the form of molecular dye design rules, which have been judiciously sequenced in an algorithm to enable large-scale data mining of dye structures with optimal DSC performance. This affords, for the first time, a DSC-specific dye-discovery strategy that predicts new classes of dyes from surveying a representative set of chemical space. A lead material from these predictions is experimentally validated, showing DSC efficiency that is comparable to many well-known organic dyes. This demonstrates the power of this approach.
C1 [Cole, Jacqueline M.; Low, Kian Sing] Univ Cambridge, Cavendish Lab, Cambridge CB3 0HE, England.
[Cole, Jacqueline M.] Argonne Natl Lab, Argonne, IL 60439 USA.
[Cole, Jacqueline M.] Int Inst Complex Adapt Matter, Davis, CA 95616 USA.
[Ozoe, Hiroaki; Kitamura, Chitoshi; Kawase, Takeshi] Univ Hyogo, Grad Sch Engn, Himeji, Hyogo 6712280, Japan.
[Stathi, Panagiota; Rudolf, Petra] Univ Groningen, Zernike Inst Adv Mat, NL-9747 AG Groningen, Netherlands.
[Kurata, Hiroyuki] Osaka Univ, Grad Sch Sci, Dept Chem, Toyonaka, Osaka 5600043, Japan.
RP Cole, JM (reprint author), Univ Cambridge, Cavendish Lab, JJ Thomson Ave, Cambridge CB3 0HE, England.
EM jmc61@cam.ac.uk
RI Cole, Jacqueline/C-5991-2008;
OI Rudolf, Petra/0000-0002-4418-1769
FU ICAM Branches Cost Sharing Fund; Fulbright Commission for a UK-US
Fulbright Scholar Award; DOE Office of Science, Office of Basic Energy
Sciences [DE-AC02-06CH11357]; EPSRC [EP/P504120/1]; "Top Research
School" program of the Zernike Institute for Advanced Materials under
the Bonus Incentive Scheme (BIS) of the Netherlands' Ministry of
Education, Science, and Culture; Stichting voor Fundamenteel Onderzoek
der Materie (FOM); Nederlandse Organisatie voor Wetenschappelijk
Onderzoek (NWO); Hyogo prefecture; Ministry of Education, Culture,
Sports, Science and Technology, Japan
FX J.M.C. is indebted to the ICAM Branches Cost Sharing Fund, the Fulbright
Commission for a UK-US Fulbright Scholar Award, and to Argonne National
Laboratory where work done was supported by DOE Office of Science,
Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357.
J.M.C. would also like to thank Peter Littlewood at Argonne for helpful
discussions. K.S.L. acknowledges the EPSRC for a DTA PhD studentship
(EP/P504120/1). Partial financial support also came from the "Top
Research School" program of the Zernike Institute for Advanced Materials
under the Bonus Incentive Scheme (BIS) of the Netherlands' Ministry of
Education, Science, and Culture and from the 'Stichting voor
Fundamenteel Onderzoek der Materie (FOM)', which is financially
supported by the 'Nederlandse Organisatie voor Wetenschappelijk
Onderzoek (NWO)'. This study was also supported by the Hyogo prefecture
and the Ministry of Education, Culture, Sports, Science and Technology,
Japan.
NR 35
TC 15
Z9 15
U1 2
U2 23
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 48
BP 26684
EP 26690
DI 10.1039/c4cp02645d
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AU2MS
UT WOS:000345453200033
PM 25011389
ER
PT J
AU Pradzynski, CC
Dierking, CW
Zurheide, F
Forck, RM
Buck, U
Zeuch, T
Xantheas, SS
AF Pradzynski, Christoph C.
Dierking, Christoph W.
Zurheide, Florian
Forck, Richard M.
Buck, Udo
Zeuch, Thomas
Xantheas, Sotiris S.
TI Infrared detection of (H2O)(20) isomers of exceptional stability: a
drop-like and a face-sharing pentagonal prism cluster
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID SIZE-SELECTED WATER; METHANOL CLUSTERS; GLOBAL MINIMA; SPECTROSCOPY;
ELECTRON; HYDROGEN; HEXAMER; ICE; TETRAMER; SPECTRA
AB Water clusters with internally solvated water molecules are widespread models that mimic the local environment of the condensed phase. The appearance of stable (H2O)(n) cluster isomers having a fully coordinated interior molecule has been theoretically predicted to occur around the n = 20 size range. However, our current knowledge about the size regime in which those structures become energetically more stable has remained hypothetical from simulations in lieu of the absence of precisely size-resolved experimental measurements. Here we report size and isomer selective infrared (IR) spectra of (H2O) 20 clusters tagged with a sodium atom by employing IR excitation-modulated photoionization spectroscopy. The observed absorption patterns in the OH stretching region are consistent with the theoretically predicted spectra of two structurally distinct isomers of exceptional stability: a drop-like cluster with a fully coordinated (interior) water molecule and an edge-sharing pentagonal prism cluster in which all atoms are on the surface. The drop-like structure is the first experimentally detected water cluster exhibiting the local connectivity found in liquid water.
C1 [Pradzynski, Christoph C.; Dierking, Christoph W.; Zurheide, Florian; Forck, Richard M.; Zeuch, Thomas] Univ Gottingen, Inst Phys Chem, D-37077 Gottingen, Germany.
[Buck, Udo] Max Planck Inst Dynam & Selbstorg, D-37077 Gottingen, Germany.
[Xantheas, Sotiris S.] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
RP Zeuch, T (reprint author), Univ Gottingen, Inst Phys Chem, Tammannstr 6, D-37077 Gottingen, Germany.
EM tzeuch1@gwdg.de; Sotiris.Xantheas@pnnl.gov
RI Xantheas, Sotiris/L-1239-2015
FU DFG [GRK 782, ZE 890-1-1/2]; US Department of Energy, Office of Basic
Energy Sciences, Division of Chemical Sciences, Geosciences and
Biosciences; Office of Science of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX TZ acknowledges the ongoing support of Prof. Martin Suhm and funding by
the DFG (GRK 782, grant ZE 890-1-1/2). SSX acknowledges support from the
US Department of Energy, 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. This research used resources of the
National Energy Research Scientific Computing Center, which is supported
by the Office of Science of the U.S. Department of Energy under Contract
No. DE-AC02-05CH11231.
NR 49
TC 13
Z9 13
U1 6
U2 26
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 48
BP 26691
EP 26696
DI 10.1039/c4cp03642e
PG 6
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AU2MS
UT WOS:000345453200034
PM 25231162
ER
PT J
AU Sheps, L
Scully, AM
Au, K
AF Sheps, Leonid
Scully, Ashley M.
Au, Kendrew
TI UV absorption probing of the conformer-dependent reactivity of a Criegee
intermediate CH3CHOO
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID SUBSTITUTED CARBONYL OXIDES; GAS-PHASE OZONOLYSIS; CH2OO REACTIONS;
SPECTRUM; TROPOSPHERE; KINETICS; ALKENES; SO2; O-2; NO
AB We measure the UV absorption spectrum of a Criegee intermediate acetaldehyde oxide, CH3CHOO, using time-resolved broadband cavity-enhanced spectrometry. We separate the spectra of the two possible structural isomers, syn- and anti-CH3CHOO, based on their different reactivity towards H2O and SO2. Despite significant overlap, the spectra of the two conformers are sufficiently separated to allow direct conformer-specific probing of the reactions of CH3CHOO with other important tropospheric species.
C1 [Sheps, Leonid; Au, Kendrew] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA.
[Scully, Ashley M.] St Michaels Coll, Dept Chem, Colchester, VT 05439 USA.
RP Sheps, L (reprint author), Sandia Natl Labs, Combust Res Facil, MS 9055, Livermore, CA 94551 USA.
EM lsheps@sandia.gov
FU Laboratory-Directed Research and Development (LDRD) program at Sandia
National Laboratories; Sandia Corporation, a Lockheed Martin Company,
for the National Nuclear Security Administration [DE-AC04-94-AL85000];
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences as part of the Argonne-Sandia Consortium on High-Pressure
Combustion Chemistry [11-014544]; DOE Office of Science Workforce
Development Program for Teachers and Scientists Summer Undergraduate
Laboratory Internship
FX Development of the experimental apparatus was supported by the
Laboratory-Directed Research and Development (LDRD) program at Sandia
National Laboratories. Sandia is a multiprogram laboratory operated by
Sandia Corporation, a Lockheed Martin Company, for the National Nuclear
Security Administration under contract DE-AC04-94-AL85000. This material
is based upon work supported by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences as part of the Argonne-Sandia
Consortium on High-Pressure Combustion Chemistry under FWP# 11-014544.
AMS was supported by the DOE Office of Science Workforce Development
Program for Teachers and Scientists Summer Undergraduate Laboratory
Internship.
NR 33
TC 31
Z9 31
U1 6
U2 55
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 48
BP 26701
EP 26706
DI 10.1039/c4cp04408h
PG 6
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AU2MS
UT WOS:000345453200036
PM 25372899
ER
PT J
AU Ignatova, T
Blades, M
Duque, JG
Doorn, SK
Biaggio, I
Rotkin, SV
AF Ignatova, Tetyana
Blades, Michael
Duque, Juan G.
Doorn, Stephen K.
Biaggio, Ivan
Rotkin, Slava V.
TI Formation and dynamics of "waterproof" photoluminescent complexes of
rare earth ions in crowded environment
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID LUMINESCENCE ENERGY-TRANSFER; SODIUM DEOXYCHOLATE; CARBON NANOTUBES;
SALTS; ULTRACENTRIFUGATION; TERBIUM(III); BEHAVIOR; SYSTEMS
AB Understanding behavior of rare-earth ions (REI) in crowded environments is crucial for several nano- and bio-technological applications. Evolution of REI photoluminescence (PL) in small compartments inside a silica hydrogel, mimic to a soft matter bio-environment, has been studied and explained within a solvation model. The model uncovered the origin of high PL efficiency to be the formation of REI complexes, surrounded by bile salt (DOC) molecules. Comparative study of these REI-DOC complexes in bulk water solution and those enclosed inside the hydrogel revealed a strong correlation between an up to 5 x -longer lifetime of REIs and appearance of the DOC ordered phase, further confirmed by dynamics of REI solvation shells, REI diffusion experiments and morphological characterization of microstructure of the hydrogel.
C1 [Ignatova, Tetyana; Blades, Michael; Biaggio, Ivan] Lehigh Univ, Dept Phys, Bethlehem, PA 18020 USA.
[Duque, Juan G.] Los Alamos Natl Lab, Div Chem, C PCS, Los Alamos, NM 87544 USA.
[Doorn, Stephen K.] Los Alamos Natl Lab, MPA CINT, Los Alamos, NM 87544 USA.
[Rotkin, Slava V.] Lehigh Univ, Dept Phys, Bethlehem, PA 18015 USA.
[Rotkin, Slava V.] Lehigh Univ, Ctr Adv Mat & Nanotechnol, Bethlehem, PA 18015 USA.
RP Rotkin, SV (reprint author), Lehigh Univ, Dept Phys, 16 Mem Dr E, Bethlehem, PA 18015 USA.
EM rotkin@lehigh.edu
FU U.S. Department of Energy, Office of Basic Energy Sciences [C2011B77];
NSF [ECCS-1202398]; DOE-LDRD Early Career fellowship
FX This work was performed in part at the Center for Integrated
Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy
Sciences user facility (User Grant C2011B77); TI and SVR acknowledge
support of NSF (ECCS-1202398); JGD thanks the DOE-LDRD Early Career
fellowship.
NR 37
TC 1
Z9 1
U1 0
U2 12
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 48
BP 26715
EP 26721
DI 10.1039/c4cp04342a
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AU2MS
UT WOS:000345453200039
PM 25379879
ER
PT S
AU Morrow, WR
Greenblatt, JB
Sturges, A
Saxena, S
Gopal, A
Millstein, D
Shah, N
Gilmore, EA
AF Morrow, William R., III
Greenblatt, Jeffery B.
Sturges, Andrew
Saxena, Samveg
Gopal, Anand
Millstein, Dev
Shah, Nihar
Gilmore, Elisabeth A.
BE Meyer, G
Beiker, S
TI Key Factors Influencing Autonomous Vehicles' Energy and Environmental
Outcome
SO ROAD VEHICLE AUTOMATION
SE Lecture Notes in Mobility
LA English
DT Proceedings Paper
CT 2nd Annual Workshop on Road Vehicle Automation
CY JUL 15-19, 2013
CL Stanford Univ, Stanford, CA
SP Natl Acad, Transportat Res Board
HO Stanford Univ
DE Environmental impacts; Energy efficiency; Autonomous vehicles
AB Autonomous vehicles (AVs)-vehicles that operate without real-time human input-are a potentially disruptive technology. If widely adopted, there is the potential for significant impacts on the energy and environmental characteristics of the transportation sector. This paper provides an outline of key drivers likely to influence the magnitude and direction of these impacts. We identify three broad categories: vehicle characteristics, transportation network, and consumer choice. Optimistically, AVs could facilitate unprecedented levels of efficiency and radically reduce transportation sector energy and environmental impacts; on the other hand, consumer choices could result in a net increase in energy consumption and environmental impacts. As the technology matures and approaches market penetration, improved models of AV usage, especially consumer preferences, will facilitate the development of policies that promote reductions in energy consumption.
C1 [Morrow, William R., III; Greenblatt, Jeffery B.; Sturges, Andrew; Saxena, Samveg; Gopal, Anand; Millstein, Dev; Shah, Nihar] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Gilmore, Elisabeth A.] Univ Maryland, College Pk, MD 20742 USA.
EM WRMorrow@lbl.gov
NR 5
TC 4
Z9 4
U1 4
U2 7
PU SPRINGER INT PUBLISHING AG
PI CHAM
PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND
SN 2196-5544
BN 978-3-319-05990-7; 978-3-319-05989-1
J9 LECT N MOBIL
PY 2014
BP 127
EP 135
DI 10.1007/978-3-319-05990-7_12
PG 9
WC Transportation
SC Transportation
GA BB7IK
UT WOS:000345580200012
ER
PT S
AU Brown, A
Gonder, J
Repac, B
AF Brown, Austin
Gonder, Jeffrey
Repac, Brittany
BE Meyer, G
Beiker, S
TI An Analysis of Possible Energy Impacts of Automated Vehicle
SO ROAD VEHICLE AUTOMATION
SE Lecture Notes in Mobility
LA English
DT Proceedings Paper
CT 2nd Annual Workshop on Road Vehicle Automation
CY JUL 15-19, 2013
CL Stanford Univ, Stanford, CA
SP Natl Acad, Transportat Res Board
HO Stanford Univ
DE Automation; Autonomous; Self-driving; Energy; Petroleum; Platooning;
Smart routing; Electrification; Car sharing
AB Automated vehicles (AVs) are increasingly recognized as having the potential to decrease carbon dioxide emissions and petroleum consumption through mechanisms such as improved efficiency, better routing, and lower traffic congestion, and by enabling advanced technologies. However, AVs also have the potential to increase fuel consumption through effects such as longer distances traveled, increased use of transportation by underserved groups, and increased travel speeds. Here we collect available estimates for many potential effects and use a modified Kaya Identity approach to estimate the overall range of possible effects. Depending on the specific effects that come to pass, widespread AV deployment can lead to dramatic fuel savings, but has the potential for unintended consequences.
C1 [Brown, Austin] Natl Renewable Energy Lab, Washington, DC 20024 USA.
[Gonder, Jeffrey] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Repac, Brittany] Univ Maryland, College Pk, MD 20742 USA.
EM austin.brown@nrel.gov; jeff.gonder@nrel.gov; brepac@umd.edu
NR 27
TC 11
Z9 11
U1 6
U2 20
PU SPRINGER INT PUBLISHING AG
PI CHAM
PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND
SN 2196-5544
BN 978-3-319-05990-7; 978-3-319-05989-1
J9 LECT N MOBIL
PY 2014
BP 137
EP 153
DI 10.1007/978-3-319-05990-7_13
PG 17
WC Transportation
SC Transportation
GA BB7IK
UT WOS:000345580200013
ER
PT S
AU Dinwiddie, RB
Kunc, V
Lindal, JM
Post, B
Smith, RJ
Love, L
Duty, CE
AF Dinwiddie, Ralph B.
Kunc, Vlastimil
Lindal, John M.
Post, Brian
Smith, Rachel J.
Love, Lonnie
Duty, Chad E.
BE Colbert, FP
Hsieh, SJ
TI Infrared Imaging of the Polymer 3D-Printing Process
SO THERMOSENSE: THERMAL INFRARED APPLICATIONS XXXVI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Thermosense - Thermal Infrared Applications XXXVI
CY MAY 05-07, 2014
CL Baltimore, MD
SP SPIE
DE Thermography; 3D-Printing; Additive Manufacturing; Temperature Decay;
Extrusion Temperature; Fusion Deposition Modeling; ABS; Carbon Fibers
AB Both mid-wave and long-wave IR cameras are used to measure various temperature profiles in thermoplastic parts as they are printed. Two significantly different 3D-printers are used in this study. The first is a small scale commercially available Solidoodle 3 printer, which prints parts with layer thicknesses on the order of 125 mu m. The second printer used is a "Big Area Additive Manufacturing" (BAAM) 3D-printer developed at Oak Ridge National Laboratory. The BAAM prints parts with a layer thicknesses of 4.06 mm. Of particular interest is the temperature of the previously deposited layer as the new hot layer is about to be extruded onto it. The two layers are expected have a stronger bond if the temperature of the substrate layer is above the glass transition temperature. This paper describes the measurement technique and results for a study of temperature decay and substrate layer temperature for ABS thermoplastic with and without the addition of chopped carbon fibers.
C1 [Dinwiddie, Ralph B.; Kunc, Vlastimil; Lindal, John M.; Post, Brian; Smith, Rachel J.; Love, Lonnie; Duty, Chad E.] Oak Ridge Natl Lab, Mfg Demonstrat Facil, Knoxville, TN 37932 USA.
RP Dinwiddie, RB (reprint author), Oak Ridge Natl Lab, Mfg Demonstrat Facil, 2370 Cherahala Blvd, Knoxville, TN 37932 USA.
EM dinwiddierb@ornl.gov
RI Kunc, Vlastimil/E-8270-2017; Love, Lonnie/P-3010-2015
OI Kunc, Vlastimil/0000-0003-4405-7917; Love, Lonnie/0000-0002-5934-7135
NR 5
TC 0
Z9 0
U1 5
U2 32
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-042-6
J9 PROC SPIE
PY 2014
VL 9105
AR 910502
DI 10.1117/12.2053425
PG 12
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BB6TS
UT WOS:000345010300001
ER
PT J
AU Ballard, G
Carson, E
Demmel, J
Hoemmen, M
Knight, N
Schwartz, O
AF Ballard, G.
Carson, E.
Demmel, J.
Hoemmen, M.
Knight, N.
Schwartz, O.
TI Communication lower bounds and optimal algorithms for numerical linear
algebra
SO ACTA NUMERICA
LA English
DT Article
ID GRAM-SCHMIDT ALGORITHM; APPROXIMATE INVERSE PRECONDITIONERS; EFFICIENT
MATRIX MULTIPLICATION; CONJUGATE-GRADIENT ALGORITHM; QR FACTORIZATION
ALGORITHMS; PRIORI SPARSITY PATTERNS; SYMMETRIC BAND REDUCTION; KRYLOV
SUBSPACE METHODS; VECTOR MULTIPLICATION; GAUSSIAN-ELIMINATION
AB The traditional metric for the efficiency of a numerical algorithm has been the number of arithmetic operations it performs. Technological trends have long been reducing the time to perform an arithmetic operation, so it is no longer the bottleneck in many algorithms; rather, communication, or moving data, is the bottleneck. This motivates us to seek algorithms that move as little data as possible, either between levels of a memory hierarchy or between parallel processors over a network. In this paper we summarize recent progress in three aspects of this problem. First we describe lower bounds on communication. Some of these generalize known lower bounds for dense classical (O(n(3))) matrix multiplication to all direct methods of linear algebra, to sequential and parallel algorithms, and to dense and sparse matrices. We also present lower bounds for Strassen-like algorithms, and for iterative methods, in particular Krylov subspace methods applied to sparse matrices. Second, we compare these lower bounds to widely used versions of these algorithms, and note that these widely used algorithms usually communicate asymptotically more than is necessary. Third, we identify or invent new algorithms for most linear algebra problems that do attain these lower bounds, and demonstrate large speed-ups in theory and practice.
C1 [Ballard, G.] Sandia Natl Labs, Livermore, CA 94551 USA.
[Carson, E.; Demmel, J.; Knight, N.; Schwartz, O.] Univ Calif Berkeley, Dept EECS, Berkeley, CA 94704 USA.
[Demmel, J.] Univ Calif Berkeley, Dept Math, Berkeley, CA 94704 USA.
[Hoemmen, M.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Ballard, G (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA.
EM gmballa@sandia.gov; ecc2z@cs.berkeley.edu; demmel@cs.berkeley.edu;
mhoemme@sandia.gov; knight@cs.berkeley.edu; odedsc@cs.berkeley.edu
FU Microsoft [024263]; Intel [024894]; UC Discovery [DIG07-10227]; DOE
[DE-SC0004938, DE-SC0005136, DE-SC0003959, DE-SC0008700, DE-SC0010200,
DE-FC02-06-ER25786, AC02-05CH11231]; DARPA [HR0011-12-2-0016]; Ministry
of Science and Technology, Israel [3-10891]; US-Israel Bi-National
Science Foundation [2010231]; Sandia National Laboratories Truman
Fellowship in National Security Science and Engineering; Sandia
Corporation as Operator of Sandia National Laboratories under its US
Department of Energy [DE-AC04-94AL85000]
FX We acknowledge funding from Microsoft (award 024263) and Intel (award
024894), and matching funding by UC Discovery (award DIG07-10227).
Additional support comes from ParLab affiliates National Instruments,
Nokia, NVIDIA, Oracle and Samsung, as well as MathWorks. Research is
also supported by DOE grants DE-SC0004938, DE-SC0005136, DE-SC0003959,
DE-SC0008700, DE-SC0010200, DE-FC02-06-ER25786, AC02-05CH11231, and
DARPA grant HR0011-12-2-0016. This research is supported by grant
3-10891 from the Ministry of Science and Technology, Israel, and grant
2010231 from the US-Israel Bi-National Science Foundation. This research
was supported in part by an appointment to the Sandia National
Laboratories Truman Fellowship in National Security Science and
Engineering, sponsored by Sandia Corporation (a wholly owned subsidiary
of Lockheed Martin Corporation) as Operator of Sandia National
Laboratories under its US Department of Energy Contract
DE-AC04-94AL85000.
NR 214
TC 11
Z9 11
U1 2
U2 12
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 0962-4929
EI 1474-0508
J9 ACTA NUMER
JI Acta Numer.
PY 2014
VL 23
BP 1
EP 155
DI 10.1017/S0962492914000038
PG 155
WC Mathematics
SC Mathematics
GA AT3CB
UT WOS:000344812000001
ER
PT J
AU Gunzburger, MD
Webster, CG
Zhang, G
AF Gunzburger, Max D.
Webster, Clayton G.
Zhang, Guannan
TI Stochastic finite element methods for partial differential equations
with random input data
SO ACTA NUMERICA
LA English
DT Article
ID CENTROIDAL VORONOI TESSELLATIONS; BOUNDARY-VALUE-PROBLEMS; GENERALIZED
POLYNOMIAL CHAOS; RANDOM-MATRIX THEORY; COLLOCATION METHOD; UNCERTAINTY
QUANTIFICATION; ELLIPTIC PROBLEMS; COMPUTATIONAL MECHANICS; MODELING
UNCERTAINTY; RANDOM-COEFFICIENTS
AB The quantification of probabilistic uncertainties in the outputs of physical, biological, and social systems governed by partial differential equations with random inputs require, in practice, the discretization of those equations. Stochastic finite element methods refer to an extensive class of algorithms for the approximate solution of partial differential equations having random input data, for which spatial discretization is effected by a finite element method. Fully discrete approximations require further discretization with respect to solution dependences on the random variables. For this purpose several approaches have been developed, including intrusive approaches such as stochastic Galerkin methods, for which the physical and probabilistic degrees of freedom are coupled, and non-intrusive approaches such as stochastic sampling and interpolatory-type stochastic collocation methods, for which the physical and probabilistic degrees of freedom are uncoupled. All these method classes are surveyed in this article, including some novel recent developments. Details about the construction of the various algorithms and about theoretical error estimates and complexity analyses of the algorithms are provided. Throughout, numerical examples are used to illustrate the theoretical results and to provide further insights into the methodologies.
C1 [Gunzburger, Max D.] Florida State Univ, Dept Comp Sci, Tallahassee, FL 32306 USA.
[Webster, Clayton G.] Oak Ridge Natl Lab, Dept Computat & Appl Math, Oak Ridge, TN 37831 USA.
[Zhang, Guannan] Oak Ridge Natl Lab, Dept Computat & Appl Math, Oak Ridge, TN 37831 USA.
RP Gunzburger, MD (reprint author), Florida State Univ, Dept Comp Sci, Tallahassee, FL 32306 USA.
EM mgunzburger@fsu.edu; webstercg@ornl.gov; zhangg@ornl.gov
OI Webster, Clayton/0000-0002-1375-0359; Zhang, Guannan/0000-0001-7256-150X
FU Office of Science of the US Department of Energy [DE-SC0010678, ERKJ259,
ERKJE45]; US Air Force Office of Scientific Research [FA9550-11-1-0149,
1854-V521-12]; US Department of Energy [DE-AC05-00OR22725]
FX The preparation of the article as well as the research of the authors on
topics related to this article were supported in part by the Office of
Science of the US Department of Energy under grant numbers DE-SC0010678,
ERKJ259, and ERKJE45; by the US Air Force Office of Scientific Research
under grant numbers FA9550-11-1-0149 and 1854-V521-12; and by the
Laboratory Directed Research and Development program at the Oak Ridge
National Laboratory which is operated by UT-Battelle, LLC, for the US
Department of Energy under Contract DE-AC05-00OR22725.
NR 239
TC 14
Z9 16
U1 5
U2 16
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 0962-4929
EI 1474-0508
J9 ACTA NUMER
JI Acta Numer.
PY 2014
VL 23
BP 521
EP 650
DI 10.1017/S0962492914000075
PG 130
WC Mathematics
SC Mathematics
GA AT3CB
UT WOS:000344812000005
ER
PT S
AU Brauer, CS
Johnson, TJ
Blake, TA
Sharpe, SW
Sams, RL
Tonkyn, RG
AF Brauer, Carolyn S.
Johnson, Timothy J.
Blake, Thomas A.
Sharpe, Steven W.
Sams, Robert L.
Tonkyn, Russell G.
BE VoDinh, T
Lieberman, RA
Gauglitz, GG
TI The Northwest Infrared (NWIR) gas-phase spectral database of industrial
and environmental chemicals: Recent updates
SO ADVANCED ENVIRONMENTAL, CHEMICAL, AND BIOLOGICAL SENSING TECHNOLOGIES XI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advanced Environmental, Chemical, and Biological Sensing
Technologies XI
CY MAY 05-06, 2014
CL Baltimore, MD
SP SPIE
DE Quantitative infrared spectra; absorption cross-section
ID TRACE GASES; LABORATORY MEASUREMENTS; PRESCRIBED FIRES; UNITED-STATES;
EMISSIONS; SOUTHEASTERN; SPECTROSCOPY; INTENSITIES; VAPOR
AB With continuing improvements in both standoff-and point-sensing techniques, there is an ongoing need for high-quality infrared spectral databases. The Northwest Infrared Database (NWIR) contains quantitative, gas-phase infrared spectra of nearly 500 pure chemical species that can be used for a variety of applications such as atmospheric monitoring, biomass burning studies, etc. The data, recorded at 0.1 cm(-1) resolution, are pressure broadened to one atmosphere (N-2). Each spectrum is a composite composed of multiple individual measurements. Recent updates to the database include over 60 molecules that are known or suspected biomass-burning effluents. Examples from this set of measurements will be presented and experimental details will be discussed in the context of the utility of NWIR for environmental applications.
C1 [Brauer, Carolyn S.; Johnson, Timothy J.; Blake, Thomas A.; Sharpe, Steven W.; Sams, Robert L.; Tonkyn, Russell G.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Brauer, CS (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA.
EM Carolyn.Brauer@pnnl.gov
NR 22
TC 1
Z9 1
U1 2
U2 4
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-043-3
J9 PROC SPIE
PY 2014
VL 9106
AR 910604
DI 10.1117/12.2053591
PG 6
WC Remote Sensing; Optics
SC Remote Sensing; Optics
GA BB6WE
UT WOS:000345068700002
ER
PT S
AU Gunther, J
Hunsaker, J
Anderson, H
Moon, T
AF Gunther, Jake
Hunsaker, Josh
Anderson, Hyrum
Moon, Todd
BE Zelnio, E
Garber, FD
TI Estimating moving target information using single-channel synthetic
aperture radar (SAR)
SO ALGORITHMS FOR SYNTHETIC APERTURE RADAR IMAGERY XXI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Algorithms for Synthetic Aperture Radar Imagery XXI
CY MAY 07-08, 2014
CL Baltimore, MD
SP SPIE
DE R adar signal processing; synthetic aperture radar (SAR); ground moving
target indicators (GMTI); motion detection; sparse signal recovery;
orthogonal matching pursuits (OMP)
ID PARAMETER-ESTIMATION; IMAGING ALGORITHM; SENSOR
AB Simultaneously estimating position x and velocity v of moving targets using only the measured phase phi from single-channel SAR is impossible because the mapping from (x, v) to phi is many-to-one. This paper defines classes of equivalent target motion and solves the GMTI problem up to membership in an equivalence class using single-channel SAR phase data. Definitions are presented for endo-and exo-clutter that are consistent with the equivalence classes, and it is shown that most target motion can be detected, i.e. the set of endo-clutter targets is very small. We exploit the sparsity of moving targets in the scene to develop an algorithm to resolve target motion up to membership in an equivalence class, and demonstrate the effectiveness of the proposed technique using simulated data.
C1 [Gunther, Jake; Hunsaker, Josh; Moon, Todd] Utah State Univ, Logan, UT 84322 USA.
[Anderson, Hyrum] Sandia Natl Labs, Data Anal & Data Exploitat, Albuquerque, NM USA.
RP Gunther, J (reprint author), Utah State Univ, Logan, UT 84322 USA.
EM jake.gunther@usu.edu
NR 25
TC 0
Z9 0
U1 0
U2 1
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-030-3
J9 PROC SPIE
PY 2014
VL 9093
AR UNSP 90930K
DI 10.1117/12.2050076
PG 13
WC Engineering, Electrical & Electronic; Optics; Telecommunications
SC Engineering; Optics; Telecommunications
GA BB6TU
UT WOS:000345014300016
ER
PT S
AU Goler, JA
Carothers, JM
Keasling, JD
AF Goler, Jonathan A.
Carothers, James M.
Keasling, Jay D.
BE Ogawa, A
TI Dual-Selection for Evolution of In Vivo Functional Aptazymes as
Riboswitch Parts
SO ARTIFICIAL RIBOSWITCHES: METHODS AND PROTOCOLS
SE Methods in Molecular Biology
LA English
DT Article; Book Chapter
DE In vitro selection; RNA aptamer; Ribozyme; Aptazyme; Riboswitch;
Synthetic biology
ID GENE-EXPRESSION; RNA APTAMERS; VITRO SELECTION; MESSENGER-RNA; FOLDING
PATHS; BINDING; MOLECULES; SWITCHES; AFFINITY; MODEL
AB Both synthetic biology and metabolic engineering are aided by the development of genetic control parts. One class of riboswitch parts that has great potential for sensing and regulation of protein levels is aptamer-coupled ribozymes (aptazymes). These devices are comprised of an aptamer domain selected to bind a particular ligand, a ribozyme domain, and a communication module that regulates the ribozyme activity based on the state of the aptamer. We describe a broadly applicable method for coupling a novel, newly selected aptamer to a ribozyme to generate functional aptazymes via in vitro and in vivo selection. To illustrate this approach, we describe experimental procedures for selecting aptazymes assembled from aptamers that bind p-amino-phenylalanine and a hammerhead ribozyme. Because this method uses selection, it does not rely on sequence-specifi c design and thus should be generalizable for the generation of in vivo operational aptazymes that respond to any targeted molecules.
C1 [Goler, Jonathan A.; Carothers, James M.; Keasling, Jay D.] Univ Calif Berkeley, Berkeley, CA 94720 USA.
[Goler, Jonathan A.; Carothers, James M.; Keasling, Jay D.] US DOE, Joint BioEnergy Inst, Emeryville, CA USA.
RP Goler, JA (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA.
RI Keasling, Jay/J-9162-2012
OI Keasling, Jay/0000-0003-4170-6088
NR 27
TC 4
Z9 4
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 978-1-62703-754-9; 978-1-62703-755-6
J9 METHODS MOL BIOL
JI Methods Mol. Biol.
PY 2014
VL 1111
BP 221
EP 235
DI 10.1007/978-1-62703-755-6_16
D2 10.1007/978-1-62703-755-6
PG 15
WC Biochemical Research Methods; Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA BB6NE
UT WOS:000344878700017
PM 24549623
ER
PT J
AU You, Y
Kanawade, VP
de Gouw, JA
Guenther, AB
Madronich, S
Sierra-Hernandez, MR
Lawler, M
Smith, JN
Takahama, S
Ruggeri, G
Koss, A
Olson, K
Baumann, K
Weber, RJ
Nenes, A
Guo, H
Edgerton, ES
Porcelli, L
Brune, WH
Goldstein, AH
Lee, SH
AF You, Y.
Kanawade, V. P.
de Gouw, J. A.
Guenther, A. B.
Madronich, S.
Sierra-Hernandez, M. R.
Lawler, M.
Smith, J. N.
Takahama, S.
Ruggeri, G.
Koss, A.
Olson, K.
Baumann, K.
Weber, R. J.
Nenes, A.
Guo, H.
Edgerton, E. S.
Porcelli, L.
Brune, W. H.
Goldstein, A. H.
Lee, S. -H.
TI Atmospheric amines and ammonia measured with a chemical ionization mass
spectrometer (CIMS)
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID SECONDARY ORGANIC AEROSOL; THERMODYNAMIC-EQUILIBRIUM MODEL; PRIMARY
ALIPHATIC-AMINES; SULFURIC-ACID; PARTICLE-PHASE; BOREAL FOREST;
NUCLEATION; GAS; AIR; TRIMETHYLAMINE
AB We report measurements of ambient amines and ammonia with a fast response chemical ionization mass spectrometer (CIMS) in a southeastern US forest and a moderately polluted midwestern site during the summer. At the forest site, mostly C3-amines (from pptv to tens of pptv) and ammonia (up to 2 ppbv) were detected, and they both showed temperature dependencies. Aerosol-phase amines measured thermal-desorption chemical ionization mass spectrometer (TDCIMS) showed a higher mass fraction in the evening with cooler temperatures and lower in the afternoon with warmer temperatures, a trend opposite to the gas-phase amines. Concentrations of aerosol-phase primary amines measured with Fourier transform infrared spectroscopy (FTIR) from micron and submicron particles were 2 orders of magnitude higher than the gas-phase amines. These results indicate that gas to particle conversion is one of the major processes that control the ambient amine concentrations at this forest site. Temperature dependencies of C3-amines and ammonia also imply reversible processes of evaporation of these nitrogen-containing compounds from soil surfaces in daytime and deposition to soil surfaces at nighttime. During the transported biomass burning plume events, various amines (C1-C6) appeared at the pptv level, indicating that biomass burning is a substantial source of amines in the southeastern US. At the moderately polluted Kent site, there were higher concentrations of C1- to C6-amines (pptv to tens of pptv) and ammonia (up to 6 ppbv). C1- to C3-amines and ammonia were well correlated with the ambient temperature. C4- to C6-amines showed frequent spikes during the nighttime, suggesting that they were emitted from local sources. These abundant amines and ammonia may in part explain the frequent new particle formation events reported from Kent. Higher amine concentrations measured at the polluted site than at the rural forested site highlight the importance of constraining anthropogenic emission sources of amines.
C1 [You, Y.; Porcelli, L.; Lee, S. -H.] Kent State Univ, Coll Publ Hlth, Kent, OH 44242 USA.
[Kanawade, V. P.] Indian Inst Technol Kanpur, Dept Civil Engn, Kanpur, Uttar Pradesh, India.
[Kanawade, V. P.] Indian Inst Technol Kanpur, Ctr Environm Sci & Engn, Kanpur, Uttar Pradesh, India.
[de Gouw, J. A.; Koss, A.] NOAA, Div Chem Sci, Boulder, CO USA.
[Guenther, A. B.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Guenther, A. B.] Washington State Univ, Dept Civil & Environm Engn, Pullman, WA 99164 USA.
[Madronich, S.; Lawler, M.; Smith, J. N.] Natl Ctr Atmospher Res, Div Atmospher Chem, Boulder, CO 80307 USA.
[Sierra-Hernandez, M. R.] Ohio State Univ, Byrd Polar Res Ctr, Columbus, OH 43210 USA.
[Lawler, M.; Smith, J. N.] Univ Eastern Finland, Dept Appl Phys, Kuopio, Finland.
[Takahama, S.; Ruggeri, G.] Ecole Polytech Fed Lausanne, Inst Ingn Environm, Lausanne, Switzerland.
[Olson, K.; Goldstein, A. H.] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA.
[Baumann, K.; Edgerton, E. S.] Atmospher Res & Anal Inc, Morrisville Cary, NC USA.
[Weber, R. J.; Nenes, A.; Guo, H.] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA.
[Nenes, A.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA.
[Brune, W. H.] Penn State Univ, Dept Meteorol, University Pk, PA 16802 USA.
RP Lee, SH (reprint author), Kent State Univ, Coll Publ Hlth, Kent, OH 44242 USA.
EM slee19@kent.edu
RI Koss, Abigail/B-5421-2015; Madronich, Sasha/D-3284-2015; Guenther,
Alex/B-1617-2008; de Gouw, Joost/A-9675-2008; Smith, James/C-5614-2008;
Manager, CSD Publications/B-2789-2015;
OI Kanawade, Vijay/0000-0001-5611-3029; Madronich,
Sasha/0000-0003-0983-1313; Guenther, Alex/0000-0001-6283-8288; de Gouw,
Joost/0000-0002-0385-1826; Smith, James/0000-0003-4677-8224; Takahama,
Satoshi/0000-0002-3335-8741
FU National Science Foundation (NSF) [AGS-1137821, AGS 1241498]; NSF; Swiss
National Science Foundation [SNF 200021_143298]
FX We acknowledge funding support from National Science Foundation (NSF,
AGS-1137821, AGS 1241498) for SHL; NSF for AN, HG, and RW; Swiss
National Science Foundation (SNF 200021_143298) for ST. SHL also thanks
Greg Huey, Dave Tanner, Huan Yu and Dave Benson for helpful
conversations on CIMS; Janek Uin for assistance on the data reduction;
Greg Frost and Charles Blanchard for discussions on ammonia emissions;
Jessica Gilman and Brian Lerner for help with the gas chromatography
measurements.
NR 73
TC 22
Z9 23
U1 15
U2 87
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2014
VL 14
IS 22
BP 12181
EP 12194
DI 10.5194/acp-14-12181-2014
PG 14
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AU0CL
UT WOS:000345290700012
ER
PT S
AU Beeson, M
Wos, L
AF Beeson, Michael
Wos, Larry
BE Demri, S
Kapur, D
Weidenbach, C
TI OTTER Proofs in Tarskian Geometry
SO AUTOMATED REASONING, IJCAR 2014
SE Lecture Notes in Artificial Intelligence
LA English
DT Proceedings Paper
CT 7th International Joint Conference on Automated Reasoning (IJCAR) Held
as Part of theVienna Summer of Logic (VSL)
CY JUL 19-22, 2014
CL Vienna Univ Technol, Vienna, AUSTRIA
SP Kurt Godel Soc
HO Vienna Univ Technol
ID SYSTEM
AB We report on a project to use OTTER to find proofs of the theorems in Tarskian geometry proved in Szmielew's part (Part I) of [ 9]. These theorems start with fundamental properties of betweenness, and end with the development of geometric definitions of addition and multiplication that permit the representation of models of geometry as planes over Euclidean fields, or over real-closed fields in the case of full continuity. They include the four challenge problems left unsolved by Quaife, who two decades ago found some OTTER proofs in Tarskian geometry (solving challenges issued in [15]).
Quaife's four challenge problems were: every line segment has a midpoint; every segment is the base of some isosceles triangle; the outer Pasch axiom (assuming inner Pasch as an axiom); and the first outer connectivity property of betweenness. These are to be proved without any parallel axiom and without even line-circle continuity. These are difficult theorems, the first proofs of which were the heart of Gupta's Ph. D. thesis under Tarski. OTTER proved them all in 2012. Our success, we argue, is due to improvements in techniques of automated deduction, rather than to increases in computer speed and memory.
The theory of Hilbert (1899) can be translated into Tarski's language, interpreting lines as pairs of distinct points, and angles as ordered triples of non-collinear points. Under this interpretation, the axioms of Hilbert either occur among, or are easily deduced from, theorems in the first 11 (of 16) chapters of Szmielew. We have found Otter proofs of all of Hilbert's axioms from Tarski's axioms (i.e. through Satz 11.49 of Szmielew, plus Satz 12.11). Narboux and Braun have recently checked these same proofs in Coq.
C1 [Beeson, Michael] San Jose State Univ, San Jose, CA 95192 USA.
[Wos, Larry] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Beeson, M (reprint author), San Jose State Univ, San Jose, CA 95192 USA.
NR 17
TC 5
Z9 5
U1 0
U2 0
PU SPRINGER INT PUBLISHING AG
PI CHAM
PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND
SN 0302-9743
BN 978-3-319-08587-6; 978-3-319-08586-9
J9 LECT NOTES ARTIF INT
PY 2014
VL 8562
BP 495
EP 510
PG 16
WC Computer Science, Artificial Intelligence; Logic
SC Computer Science; Science & Technology - Other Topics
GA BB6XD
UT WOS:000345093000039
ER
PT J
AU Wang, S
Yang, F
Camp, DG
Rodland, K
Qian, WJ
Liu, T
Smith, RD
AF Wang, Sheng
Yang, Feng
Camp, David G., II
Rodland, Karin
Qian, Wei-Jun
Liu, Tao
Smith, Richard D.
TI Proteomic approaches for site-specific O-GlcNAcylation analysis
SO BIOANALYSIS
LA English
DT Review
ID ELECTRON-TRANSFER DISSOCIATION; GLCNAC-MODIFIED PROTEINS; AZIDE-ALKYNE
CYCLOADDITION; BETA-N-ACETYLGLUCOSAMINE; MASS-SPECTROMETRY;
POSTTRANSLATIONAL MODIFICATIONS; CLICK CHEMISTRY; QUANTITATIVE
PROTEOMICS; LINKED GLYCOSYLATION; TRANSCRIPTION FACTOR
AB O-GlcNAcylation is a dynamic protein post-translational modification of serine or threonine residues by an O-linked monosaccharide N-acetylglucosamine (O-GlcNAc). O-GlcNAcylation was discovered three decades ago and its significance has been implicated in several disease states, such as metabolic diseases, cancer and neurological diseases. Yet it remains technically challenging to characterize comprehensively and quantitatively because of its low abundance, low stoichiometry and extremely labile nature under conventional collision-induced dissociation tandem MS conditions. Herein, we review the recent advances addressing these challenges in developing proteomic approaches for site-specific O-GlcNAcylation analysis, including specific enrichment of O-GlcNAc peptides/proteins, unambiguous site-determination of O-GlcNAc modification and quantitative analysis of O-GlcNAcylation.
C1 [Wang, Sheng; Yang, Feng; Camp, David G., II; Rodland, Karin; Qian, Wei-Jun; Liu, Tao; Smith, Richard D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA.
[Smith, Richard D.] Pacific NW Natl Lab, MSIN K8 98, Richland, WA 99354 USA.
RP Smith, RD (reprint author), Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA.
EM dick.smith@pnnl.gov
RI Smith, Richard/J-3664-2012; Wang, Sheng/I-2066-2015
OI Smith, Richard/0000-0002-2381-2349;
FU NIH from the National Cancer Institute Clinical Proteomic Tumor Analysis
Consortium (CPTAC) [U24-CA-160019]; NIGMS Biomedical Technology Research
Resource [P41GM103493]; US Department of Defense through the Henry M.
Jackson Foundation [MIPR2DO89M2058]
FX Portions of this work were supported by NIH grants U24-CA-160019 from
the National Cancer Institute Clinical Proteomic Tumor Analysis
Consortium (CPTAC) and NIGMS Biomedical Technology Research Resource
P41GM103493, and an Inter-agency Agreement from the US Department of
Defense through the Henry M. Jackson Foundation under MIPR2DO89M2058.
The authors have no other relevant affiliations or financial involvement
with any organization or entity with a financial interest in or
financial conflict with the subject matter or materials discussed in the
manuscript. This includes employment, consultancies, honoraria, stock
ownership or options, expert testimony, grants or patents received or
pending, or royalties.
NR 86
TC 2
Z9 2
U1 1
U2 10
PU FUTURE SCI LTD
PI LONDON
PA UNITED HOUSE, 2 ALBERT PL, LONDON, N3 1QB, ENGLAND
SN 1757-6180
EI 1757-6199
J9 BIOANALYSIS
JI Bioanalysis
PY 2014
VL 6
IS 19
BP 2571
EP 2580
DI 10.4155/bio.14.239
PG 10
WC Biochemical Research Methods; Chemistry, Analytical
SC Biochemistry & Molecular Biology; Chemistry
GA AU0WB
UT WOS:000345341800006
PM 25411699
ER
PT J
AU Kertesz, V
Paranthaman, N
Moench, P
Catoire, A
Flarakos, J
Van Berkel, GJ
AF Kertesz, Vilmos
Paranthaman, Nithya
Moench, Paul
Catoire, Alexandre
Flarakos, Jimmy
Van Berkel, Gary J.
TI Liquid microjunction surface sampling of acetaminophen, terfenadine and
their metabolites in thin tissue sections
SO BIOANALYSIS
LA English
DT Article
ID IONIZATION-MASS-SPECTROMETRY; WHOLE-BODY AUTORADIOGRAPHY; RAT-BRAIN
TISSUE; CHROMATOGRAPHY/MASS SPECTROMETRY; DRUG DISTRIBUTION; DISCOVERY;
SYSTEM; MS
AB Background: The aim of this work was to evaluate the analytical performance of a fully automated droplet-based surface-sampling system for determining the distribution of the drugs acetaminophen and terfenadine, and their metabolites, in rat thin tissue sections. Results: The rank order of acetaminophen concentration observed in tissues was stomach > small intestine > liver, while the concentrations of its glucuronide and sulfate metabolites were greatest in the liver and small intestine. Terfenadine was most concentrated in the liver and kidney, while its major metabolite, fexofenadine, was found in the liver and small intestine. Conclusion: The spatial distributions of both drugs and their respective metabolites observed in this work were consistent with previous studies using radiolabeled drugs.
C1 [Kertesz, Vilmos; Paranthaman, Nithya; Van Berkel, Gary J.] Oak Ridge Natl Lab, Div Chem Sci, Organ & Biol Mass Spectrometry Grp, Oak Ridge, TN 37831 USA.
[Paranthaman, Nithya] Georgia Inst Technol, ORISE HERE Intern, Atlanta, GA 30332 USA.
[Moench, Paul; Catoire, Alexandre; Flarakos, Jimmy] Novartis Inst Biomed Sci Drug Metab & Pharmacokin, E Hanover, NJ 07936 USA.
RP Kertesz, V (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Organ & Biol Mass Spectrometry Grp, Oak Ridge, TN 37831 USA.
EM kerteszv@ornl.gov
RI Kertesz, Vilmos/M-8357-2016
OI Kertesz, Vilmos/0000-0003-0186-5797
FU US Department of Energy [DE-AC05-00OR22725]
FX The API 4000 used in this work was provided on loan from AB Sciex
through a Cooperative Research and Development Agreement (CRADA
NFE-10-02966). Experimental work at ORNL was supported through a Work
For Others (WFO) agreement with Novartis Institutes for Biomedical
Research. N Paranthaman acknowledges an ORNL appointment through the
ORISE HERE program. ORNL is managed by UT-Battelle, LLC for the US
Department of Energy under contract DE-AC05-00OR22725. The authors have
no other relevant affiliations or financial involvement with any
organization or entity with a financial interest in or financial
conflict with the subject matter or materials discussed in the
manuscript. This includes employment, consultancies, honoraria, stock
ownership or options, expert testimony, grants or patents received or
pending, or royalties.
NR 23
TC 8
Z9 8
U1 2
U2 8
PU FUTURE SCI LTD
PI LONDON
PA UNITED HOUSE, 2 ALBERT PL, LONDON, N3 1QB, ENGLAND
SN 1757-6180
EI 1757-6199
J9 BIOANALYSIS
JI Bioanalysis
PY 2014
VL 6
IS 19
BP 2599
EP 2606
DI 10.4155/bio.14.130
PG 8
WC Biochemical Research Methods; Chemistry, Analytical
SC Biochemistry & Molecular Biology; Chemistry
GA AU0WB
UT WOS:000345341800010
PM 25411703
ER
PT B
AU Stamper-Kurn, DM
AF Stamper-Kurn, Dan M.
BE Aspelmeyer, M
Kippenberg, TJ
Marquardt, F
TI Cavity Optomechanics with Cold Atoms
SO CAVITY OPTOMECHANICS: NANO- AND MICROMECHANICAL RESONATORS INTERACTING
WITH LIGHT
SE Quantum Science and Technology
LA English
DT Article; Book Chapter
ID BOSE-EINSTEIN CONDENSATE; QUANTUM-NOISE REDUCTION; FINESSE OPTICAL
CAVITY; RADIATION-PRESSURE; POSITION MEASUREMENT; SINGLE-ATOM; INDUCED
TRANSPARENCY; PHASE-TRANSITION; LIGHT-SCATTERING; STANDING-WAVE
AB The mechanical influence on objects due to their interaction with light has been a central topic in atomic physics for decades. Thus, not surprisingly, one finds that many concepts developed to describe cavity optomechanical systems with solid-state mechanical oscillators have also been developed in a parallel stream of scientific literature pertaining to cold atomic physics. In this chapter, I describe several of these ideas from atomic physics, including optical methods for detecting quantum states of single cold atoms and atomic ensembles, motional effects within single-atom cavity quantum electrodynamics, and collective optical effects such as superradiant Rayleigh scattering and cavity cooling of atomic ensembles. Against this background, I present several experimental realizations of cavity optomechanics in which an atomic ensemble serves as the mechanical element. These are divided between systems driven either by sending light onto the cavity input mirrors ("cavity pumped"), or by sending light onto the atomic ensemble ("side pumped"). The cavity-pumped systems clearly exhibit the key phenomena of cavity optomechanical systems, including cavity-aided position sensing, coherent back action effects such as the optical spring and cavity cooling, and optomechanical bistability; several of these effects have been detected not only for linear but also for quadratic optomechanical coupling. The extreme isolation of the atomic ensemble from mechanical disturbances, and its strong polarizability near the atomic resonance frequency, allowthese optomechanical systems to be highly sensitive to quantum radiation pressure fluctuations. I describe several ways in which these fluctuations are observed experimentally. I conclude by considering the side-pumped cavity experiments in terms of cavity optomechanics, complementing recent treatments of these systems in terms of condensed-matter physics concepts such as quantum phase transitions and supersolidity.
C1 [Stamper-Kurn, Dan M.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Stamper-Kurn, Dan M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Stamper-Kurn, DM (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
EM dmsk@berkeley.edu
RI Stamper-Kurn, Dan/B-5442-2015
OI Stamper-Kurn, Dan/0000-0002-4845-5835
NR 134
TC 8
Z9 8
U1 0
U2 2
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
BN 978-3-642-55312-7; 978-3-642-55311-0
J9 QUANT SCI TECH
PY 2014
BP 283
EP 325
DI 10.1007/978-3-642-55312-7_13
D2 10.1007/978-3-642-55312-7
PG 43
WC Nanoscience & Nanotechnology; Optics
SC Science & Technology - Other Topics; Optics
GA BB6FN
UT WOS:000344745800014
ER
PT J
AU Shen, M
Yan, ZP
Yang, L
Du, PW
Zhang, JY
Xiang, B
AF Shen, Meng
Yan, Zhiping
Yang, Lei
Du, Pingwu
Zhang, Jingyu
Xiang, Bin
TI MoS2 nanosheet/TiO2 nanowire hybrid nanostructures for enhanced
visible-light photocatalytic activities
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID HYDROGEN EVOLUTION; H-2 EVOLUTION; TIO2 NANOPARTICLES; COCATALYST;
EFFICIENT; GRAPHENE; IRRADIATION; SULFIDES; SITES
AB We report one dimensional (1D) MoS2 nanosheet/porous TiO2 nanowire hybrid nanostructures synthesized by a simple hydrothermal method, leading to an enhanced specific surface area (66 m(2) g(-1)). These 1D hybrid nanostructures as co-catalysts exhibit high activity in visible light photocatalytic hydrogen evolution reaction (HER) with an enhanced hydrogen generation rate of 16.7 mmol h(-1) g(-1).
C1 [Shen, Meng; Yan, Zhiping; Yang, Lei; Du, Pingwu; Xiang, Bin] Univ Sci & Technol China, Dept Mat Sci & Engn, CAS Key Lab Mat Energy Convers, Hefei 230026, Anhui, Peoples R China.
[Zhang, Jingyu] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
RP Du, PW (reprint author), Univ Sci & Technol China, Dept Mat Sci & Engn, CAS Key Lab Mat Energy Convers, Hefei 230026, Anhui, Peoples R China.
EM dupingwu@ustc.edu.cn; binxiang@ustc.edu.cn
RI Du, Pingwu/G-3329-2010; Xiang, Bin/C-9192-2012; Foundry,
Molecular/G-9968-2014
OI Du, Pingwu/0000-0002-2715-0979;
FU National Natural Science Foundation of China (NSFC) [21373196,
21271166]; Recruitment Program of Global Experts; Fundamental Research
Funds for the Central Universities [WK2060140014, WK2340000050]
FX This work was supported by the National Natural Science Foundation of
China (NSFC) (21373196, 21271166), the Recruitment Program of Global
Experts and the Fundamental Research Funds for the Central Universities
(WK2060140014, WK2340000050).
NR 23
TC 53
Z9 54
U1 41
U2 322
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 2014
VL 50
IS 97
BP 15447
EP 15449
DI 10.1039/c4cc07351g
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA AT6QZ
UT WOS:000345065000042
PM 25352113
ER
PT J
AU Herbert, SA
Janiak, A
Thallapally, PK
Atwood, JL
Barbour, LJ
AF Herbert, Simon A.
Janiak, Agnieszka
Thallapally, Praveen K.
Atwood, Jerry L.
Barbour, Leonard J.
TI Diffusion of vaporous guests into a seemingly non-porous organic crystal
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID GAS-SOLID REACTION; SINGLE-CRYSTALS; CAGES; POROSITY; HOST; ACID
AB The tetragonal apohost phase of p-tert-butyltetramrthoxythiacalix[4]arene absorbs hydrochloric acid and iodine. These guest molecules occupy different sites in the solid-state structure - either within the small intrinsic voids of the macrocycle or within the interstitial spaces between the host molecules. This study illustrates the dynamic deformation of the host, providing strong mechanistic insight into the diffusion of guests into this seemingly non-porous material.
C1 [Herbert, Simon A.; Janiak, Agnieszka; Barbour, Leonard J.] Univ Stellenbosch, Dept Chem & Polymer Sci, ZA-7600 Stellenbosch, South Africa.
[Thallapally, Praveen K.] Pacific NW Natl Lab, Richland, WA 99359 USA.
[Atwood, Jerry L.] Univ Missouri, Dept Chem, Columbia, MO 65211 USA.
RP Thallapally, PK (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99359 USA.
EM praveen.thallapally@pnnl.gov; AtwoodJ@missouri.edu; ljb@sun.ac.za
OI Thallapally, Praveen Kumar/0000-0001-7814-4467
FU National Research Foundation; US Department of Energy, Office of Basic
Energy Sciences, Division of Materials Sciences and Engineering
[KC020105-FWP12152]
FX SH, AJ and LJB thank the National Research Foundation for financial
support. JLA thanks the National Science Foundation for and PKT thanks
the US Department of Energy, Office of Basic Energy Sciences, Division
of Materials Sciences and Engineering (Award No. KC020105-FWP12152).
NR 30
TC 5
Z9 5
U1 3
U2 32
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 2014
VL 50
IS 98
BP 15509
EP 15512
DI 10.1039/c4cc07366e
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA AT8US
UT WOS:000345207900005
PM 25307365
ER
PT B
AU Duffy, PB
Maloney, E
Sheffield, J
AF Duffy, Philip B.
Maloney, Eric
Sheffield, Justin
BE Ohring, G
TI Global Climate Model Simulations of North America
SO CLIMATE CHANGE IN NORTH AMERICA
SE Regional Climate Studies
LA English
DT Article; Book Chapter
ID DIURNAL TEMPERATURE-RANGE; PACIFIC DECADAL OSCILLATION; MINIMUM
TEMPERATURE; COUPLED MODEL; UNITED-STATES; INTERCOMPARISON PROJECT;
HISTORICAL SIMULATIONS; PRECIPITATION EXTREMES; MIDSUMMER DROUGHT; DAILY
MAXIMUM
C1 [Duffy, Philip B.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Maloney, Eric] Colorado State Univ, Ft Collins, CO 80523 USA.
[Sheffield, Justin] Princeton Univ, Princeton, NJ 08544 USA.
RP Duffy, PB (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
EM duffy2@llnl.gov
NR 123
TC 0
Z9 0
U1 1
U2 3
PU SPRINGER INT PUBLISHING AG
PI CHAM
PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND
BN 978-3-319-03768-4; 978-3-319-03767-7
J9 REG CLIM STUD
PY 2014
BP 167
EP 200
DI 10.1007/978-3-319-03768-4_4
D2 10.1007/978-3-319-03768-4
PG 34
WC Environmental Sciences; Geography, Physical; Meteorology & Atmospheric
Sciences
SC Environmental Sciences & Ecology; Physical Geography; Meteorology &
Atmospheric Sciences
GA BB6NU
UT WOS:000344883100006
ER
PT J
AU Pfeiffer, CR
Fowler, DA
Teat, S
Atwood, JL
AF Pfeiffer, Constance R.
Fowler, Drew A.
Teat, Simon
Atwood, Jerry L.
TI Cocrystallization of pyrogallol[4]arenes with
1-(2-pyridylazo)-2-naphthol
SO CRYSTENGCOMM
LA English
DT Article
ID METAL-COORDINATED CAPSULES; DICATIONIC IONIC LIQUID; MOLECULAR CAPSULES;
GUEST; NANOCAPSULES; FLUORESCENCE; FERROCENE; CAGES
AB Cocrystallizations of pyrogallol[4] arenes and 1-(2-pyridylazo)-2-naphthol (PAN) are investigated herein in order to determine the effect of aliphatic tail-length and solvent on crystal packing, probe orientation, and pyrogallol[4] arene bowl-shape. It is seen that solvent affects the final ratio of PAN to pyrogallol[4] arene, while aliphatic tail-length influences the crystal packing, C-H center dot center dot center dot pi interactions, and overall hydrogen bonding. With an aliphatic tail-length of one carbon atom, there is an atypical bilayer structure. As the aliphatic tail-length increases, the resulting cocrystals have the characteristic bilayer structure as well as an increased number of C-H center dot center dot center dot pi interactions and decreased hydrogen bonding with the PAN molecules.
C1 [Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.] Univ Missouri, Dept Chem, Columbia, MO 65211 USA.
[Teat, Simon] Adv Light Source, Berkeley, CA USA.
RP Pfeiffer, CR (reprint author), Univ Missouri, Dept Chem, 601 South Coll Ave, Columbia, MO 65211 USA.
EM sjteat@lbl.gov; AtwoodJ@missouri.edu
FU NSF; Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy [DE-AC02-05CH11231]
FX JLA thanks NSF for funding this research. 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 33
TC 3
Z9 3
U1 1
U2 6
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1466-8033
J9 CRYSTENGCOMM
JI Crystengcomm
PY 2014
VL 16
IS 47
BP 10760
EP 10773
DI 10.1039/c4ce01768d
PG 14
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA AT6RD
UT WOS:000345065400005
ER
PT J
AU Huang, J
Mara, MW
Stickrath, AB
Kokhan, O
Harpham, MR
Haldrup, K
Shelby, ML
Zhang, X
Ruppert, R
Sauvage, JP
Chen, LX
AF Huang, J.
Mara, M. W.
Stickrath, A. B.
Kokhan, O.
Harpham, M. R.
Haldrup, K.
Shelby, M. L.
Zhang, X.
Ruppert, R.
Sauvage, J. -P.
Chen, L. X.
TI A strong steric hindrance effect on ground state, excited state, and
charge separated state properties of a Cu-I-diimine complex captured by
X-ray transient absorption spectroscopy
SO DALTON TRANSACTIONS
LA English
DT Article
ID PHOTOINDUCED STRUCTURAL-CHANGE; PHOTOPHYSICAL PROPERTIES; COPPER(I)
COMPLEXES; SOLAR-CELLS; DYNAMICS; PHENANTHROLINES; MONONUCLEAR; SINGLET;
MEDIA
AB Photophysical and structural properties of a Cu-I diimine complex with very strong steric hindrance, [Cu-I(dppS)(2)](+) (dppS = 2,9-diphenyl-1,10-phenanthroline disulfonic acid disodium salt), are investigated by optical and X-ray transient absorption (OTA and XTA) spectroscopy. The bulky phenylsulfonic acid groups at 2,9 positions of phenanthroline ligands force the ground state and the metal-to-ligand charge-transfer (MLCT) excited state to adopt a flattened pseudo-tetrahedral coordination geometry in which the solvent access to the copper center is completely blocked. We analyzed the MLCT state dynamics and structures as well as those of the charge separated state resulting from the interfacial electron injection from the MLCT state to TiO2 nanoparticles (NPs). The OTA results show the absence of the sub-picosecond component previously assigned as the time constant for flattening, while the two observed time constants are assigned to a relatively slow intersystem crossing (ISC) rate (similar to 13.8 ps) and a decay rate (100 ns) of the [Cu-I(dppS)(2)](+) MLCT state in water. These results correlate well with the XTA studies that resolved a flattened tetrahedral Cu(I) coordination geometry in the ground state. Probing the (MLCT)-M-3 state structure with XTA establishes that the (MLCT)-M-3 state has the same oxidation state as the copper center in [Cu-II(dppS)(2)](2+) and the Cu-N distance is reduced by 0.06 angstrom compared to that of the ground state, accompained by a rotation of phenyl rings located at 2,9 positions of phenanthroline. The structural dynamics of the photoinduced charge transfer process in the [Cu-I(dppS) (2)](+)/TiO2 hybrid is also investigated, which suggests a more restricted environment for the complex upon binding to TiO2 NPs. Moreover, the Cu-N bond length of the oxidized state of [ Cu-I(dppS)(2)](+) after electron injection to TiO2 NPs shortens by 0.05 angstrom compared to that in the ground state. The interpretation of these observed structural changes associated with excited and charge separated states will be discussed. These results not only set an example for applying XTA in capturing the intermediate structure of metal complex/semiconductor NP hybrids but also provide guidance for designing efficient CuI diimine complexes with optimized structures for application in solar-to-electricity conversion.
C1 [Huang, J.; Mara, M. W.; Stickrath, A. B.; Kokhan, O.; Harpham, M. R.; Chen, L. X.] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA.
[Mara, M. W.; Shelby, M. L.; Chen, L. X.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.
[Haldrup, K.] Tech Univ Denmark, Dept Phys, NEXMAP sect, Mol Movies Grp, DK-2800 Lyngby, Denmark.
[Zhang, X.] Argonne Natl Lab, Xray Sci Div, Lemont, IL 60439 USA.
[Ruppert, R.] Univ Strasbourg, Inst Chim, F-67000 Strasbourg, France.
[Sauvage, J. -P.] Univ Strasbourg, Inst Sci & Ingn Supramol, F-67000 Strasbourg, France.
RP Chen, LX (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA.
EM lchen@anl.gov
RI Haldrup, Kristoffer/J-6875-2013;
OI Haldrup, Kristoffer/0000-0002-0565-6397; Kokhan,
Oleksandr/0000-0001-9867-8044
FU U. S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-06CH11357]; Carlsberg and Villum Foundations
FX We acknowledge the support from the U. S. Department of Energy, Office
of Science, Office of Basic Energy Sciences, under contract no.
DE-AC02-06CH11357. The 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 no.
DE-AC02-06CH11357. The authors would like to thank Drs Klaus Attenkofer
(now at NSLS-II, Brookhaven National Laboratory), Guy Jennings, and Mr
Charles Kurtz of the Advanced Photon Source for their contributions to
the Beamline 11ID-D facility at the APS. The instrumentation support (to
LXC and others) from the US Department of Energy for purchasing lasers,
detectors and other related equipment enabling the initiation and
upgradation of XTA experiments at Beamline 11IDD is greatly appreciated.
K. Haldrup gratefully acknowledges support from the Carlsberg and Villum
Foundations.
NR 41
TC 5
Z9 5
U1 12
U2 37
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 2014
VL 43
IS 47
BP 17615
EP 17623
DI 10.1039/c4dt02046d
PG 9
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA AT6RF
UT WOS:000345065600008
PM 25243795
ER
PT J
AU Hou, JB
Fang, M
Cardenas, AJP
Shaw, WJ
Helm, ML
Bullock, RM
Roberts, JAS
O'Hagan, M
AF Hou, Jianbo
Fang, Ming
Cardenas, Allan Jay P.
Shaw, Wendy J.
Helm, Monte L.
Bullock, R. Morris
Roberts, John A. S.
O'Hagan, Molly
TI Electrocatalytic H-2 production with a turnover frequency > 10(7) s(-1):
the medium provides an increase in rate but not overpotential
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Article
ID HYDROGEN-PRODUCTION; NICKEL ELECTROCATALYST; CATALYTIC RATES;
ENERGY-STORAGE; WATER; COMPLEXES; PROTON; ACETONITRILE
AB Rapid proton movement results in exceptionally fast electrocatalytic H-2 production (up to 3 x 10(7) s(-1)) at overpotentials of similar to 400 mV when catalysed by [Ni((P2N2C6H4x)-N-Ph)(2)](2+) complexes in an acidic ionic liquid-water medium ([(DMF)H]NTf2-H2O, chi(H2O) = 0.71).
C1 [Hou, Jianbo; Fang, Ming; Cardenas, Allan Jay P.; Shaw, Wendy J.; Helm, Monte L.; Bullock, R. Morris; Roberts, John A. S.; O'Hagan, Molly] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Hou, JB (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA.
EM molly.ohagan@pnnl.gov
RI Bullock, R. Morris/L-6802-2016;
OI Bullock, R. Morris/0000-0001-6306-4851; Cardenas, Allan
Jay/0000-0001-8269-1914
FU Center for Molecular Electrocatalysis, an Energy Frontier Research
Center - US Department of Energy, Office of Science, Office of Basic
Energy Sciences; Office of Science Early Career Research Program through
the US Department of Energy, Office of Science, Office of Basic Energy
Science (W.J.S.)
FX This research was supported as part of the Center for Molecular
Electrocatalysis, an Energy Frontier Research Center funded by the US
Department of Energy, Office of Science, Office of Basic Energy Sciences
and the Office of Science Early Career Research Program through the US
Department of Energy, Office of Science, Office of Basic Energy Sciences
(W.J.S.). Pacific Northwest National Laboratory is operated by Battelle
for the US Department of Energy.
NR 23
TC 24
Z9 24
U1 4
U2 30
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 2014
VL 7
IS 12
BP 4013
EP 4017
DI 10.1039/c4ee01899k
PG 5
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA AT7BC
UT WOS:000345090100014
ER
PT J
AU Li, DG
Wang, C
Strmcnik, DS
Tripkovic, DV
Sun, XL
Kang, YJ
Chi, MF
Snyder, JD
van der Vliet, D
Tsai, YF
Stamenkovic, VR
Sun, SH
Markovic, NM
AF Li, Dongguo
Wang, Chao
Strmcnik, Dusan S.
Tripkovic, Dusan V.
Sun, Xiaolian
Kang, Yijin
Chi, Miaofang
Snyder, Joshua D.
van der Vliet, Dennis
Tsai, Yifen
Stamenkovic, Vojislav R.
Sun, Shouheng
Markovic, Nenad M.
TI Functional links between Pt single crystal morphology and nanoparticles
with different size and shape: the oxygen reduction reaction case
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Article
ID SULFURIC-ACID-SOLUTION; PARTICLE-SIZE; PLATINUM NANOPARTICLES;
ELECTROCHEMICAL REDUCTION; ELECTRONIC-PROPERTIES; PERCHLORIC-ACID;
FUEL-CELLS; SURFACES; CATALYSTS; ELECTROCATALYSTS
AB Design of active and stable Pt-based nanoscale electrocatalysts for the oxygen reduction reaction (ORR) will be the key to improving the efficiency of fuel cells that are needed to deliver reliable, affordable and environmentally friendly energy. Here, by exploring the ORR on Pt single crystals, cubo-octahedral (polyhedral) Pt NPs with different sizes (ranging from 2 to 7 nm), and 7-8 nm Pt NPs with different shapes (cubo-octahedral vs. cube vs. octahedral), we presented a surface science approach capable of rationalizing, and ultimately understanding, fundamental relationships between stability of Pt NPs and activity of the ORR in acidic media. By exploring the potential induced dissolution/ re-deposition of Pt between 0.05 and 1.3 V, we found that concomitant variations in morphology of Pt(111) and Pt(100) lead to narrowing differences in activity between Pt single crystal surfaces. We also found that regardless of an initial size or shape, NPs are metastable and easily evolve to thermodynamically equilibrated shape and size with very similar activity for the ORR. We concluded that while initially clearly observed, the particle size and shape effects diminish as the particles age to the point that it may appear that the ORR depends neither on the particle size nor particle shape.
C1 [Li, Dongguo; Wang, Chao; Strmcnik, Dusan S.; Tripkovic, Dusan V.; Kang, Yijin; Snyder, Joshua D.; van der Vliet, Dennis; Stamenkovic, Vojislav R.; Markovic, Nenad M.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Li, Dongguo; Sun, Xiaolian; Sun, Shouheng] Brown Univ, Dept Chem, Providence, RI 02912 USA.
[Chi, Miaofang] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
[Tsai, Yifen] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Li, DG (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM nmmarkovic@anl.gov
RI Wang, Chao/F-4558-2012; van der Vliet, Dennis/P-2983-2015; Chi,
Miaofang/Q-2489-2015; Li, Dongguo/O-6253-2016
OI Wang, Chao/0000-0001-7398-2090; van der Vliet,
Dennis/0000-0002-2524-527X; Chi, Miaofang/0000-0003-0764-1567; Li,
Dongguo/0000-0001-7578-7811
FU U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and
Engineering Division; U.S. Department of Energy Office of Science
Laboratory by UChicago Argonne, LLC [DE-AC02-06CH11357]; Scientific User
Facilities Division, Office of Basic Energy Sciences, U.S. Department of
Energy
FX The single crystal work was supported by the U.S. Department of Energy,
Basic Energy Sciences, Materials Sciences and Engineering Division. The
portion of work related to nanoparticle syntheses and characterization
was supported by the office Energy efficiency and Renewable Energy, Fuel
Cells Technologies Program and Toyota motor Engineering & Manufacturing
North America. The electron microscopy was accomplished at the Electron
Microscopy Center at Argonne National Laboratory, a U.S. Department of
Energy Office of Science Laboratory operated under Contract no.
DE-AC02-06CH11357 by UChicago Argonne, LLC. STEM studies were
accomplished at the Center for Nanophase Materials Sciences at Oak Ridge
National Laboratory, which is sponsored by the Scientific User
Facilities Division, Office of Basic Energy Sciences, U.S. Department of
Energy.
NR 57
TC 38
Z9 39
U1 26
U2 112
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 2014
VL 7
IS 12
BP 4061
EP 4069
DI 10.1039/c4ee01564a
PG 9
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA AT7BC
UT WOS:000345090100021
ER
PT J
AU Huck, JM
Lin, LC
Berger, AH
Shahrak, MN
Martin, RL
Bhown, AS
Haranczyk, M
Reuter, K
Smit, B
AF Huck, Johanna M.
Lin, Li-Chiang
Berger, Adam H.
Shahrak, Mahdi Niknam
Martin, Richard L.
Bhown, Abhoyjit S.
Haranczyk, Maciej
Reuter, Karsten
Smit, Berend
TI Evaluating different classes of porous materials for carbon capture
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Article
ID METAL-ORGANIC FRAMEWORKS; ZEOLITIC IMIDAZOLATE FRAMEWORKS; TEMPERATURE
SWING ADSORPTION; MIXED-MATRIX MEMBRANES; DIOXIDE CAPTURE; CO2 CAPTURE;
POLYMER NETWORKS; GAS-ADSORPTION; CU-BTC; MOLECULAR SIMULATION
AB Carbon Capture and Sequestration (CCS) is one of the promising ways to significantly reduce the CO2 emission from power plants. In particular, amongst several separation strategies, adsorption by nano-porous materials is regarded as a potential means to efficiently capture CO2 at the place of its origin in a post-combustion process. The search for promising materials in such a process not only requires the screening of a multitude of materials but also the development of an adequate evaluation metric. Several evaluation criteria have been introduced in the literature concentrating on a single adsorption or material property at a time. Parasitic energy is a new approach for material evaluation to address the energy load imposed on a power plant while applying CCS. In this work, we evaluate over 60 different materials with respect to their parasitic energy, including experimentally realized and hypothetical materials such as metal-organic frameworks (MOFs), zeolitic imidazolate frameworks (ZIFs), porous polymer networks (PPNs), and zeolites. The results are compared to other proposed evaluation criteria and performance differences are studied regarding the regeneration modes, (i.e. Pressure-Swing (PSA) and Temperature-Swing Adsorption (TSA)) as well as the flue gas composition.
C1 [Huck, Johanna M.; Lin, Li-Chiang; Shahrak, Mahdi Niknam; Smit, Berend] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
[Huck, Johanna M.; Reuter, Karsten] Tech Univ Munich, Chair Theoret Chem, Garching, Germany.
[Huck, Johanna M.; Reuter, Karsten] Tech Univ Munich, Catalysis Res Ctr, Garching, Germany.
[Berger, Adam H.; Bhown, Abhoyjit S.] Elect Power Res Inst, Palo Alto, CA 94304 USA.
[Shahrak, Mahdi Niknam] Quchan Univ Adv Technol, Dept Chem Engn, Quchan, Iran.
[Haranczyk, Maciej] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
[Smit, Berend] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Smit, Berend] Ecole Polytech Fed Lausanne, Lab Mol Simulat, Inst Sci & Ingn Chim, CH-1015 Lausanne, Switzerland.
RP Huck, JM (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
EM berend-smit@berkeley.edu
RI Reuter, Karsten/D-9442-2011; EFRC, CGS/I-6680-2012; Smit,
Berend/B-7580-2009; Stangl, Kristin/D-1502-2015; Haranczyk,
Maciej/A-6380-2014
OI Reuter, Karsten/0000-0001-8473-8659; Lin, Li-Chiang/0000-0002-2821-9501;
Smit, Berend/0000-0003-4653-8562; Haranczyk, Maciej/0000-0001-7146-9568
FU Center for Gas Separations Relevant to Clean Energy Technologies , an
Energy Frontier Research Center - U.S. Department of Energy, Office of
Science, and Office of Basic Energy Sciences [DE-SC0001015]; Deutsche
Forschungsgemeinschaft (DFG) [SPP 1570]
FX This work was supported by the Center for Gas Separations Relevant to
Clean Energy Technologies, an Energy Frontier Research Center funded by
the U.S. Department of Energy, Office of Science, and Office of Basic
Energy Sciences, under Award Number DE-SC0001015. J.M.H. was supported
by the Deutsche Forschungsgemeinschaft (DFG, priority program SPP 1570).
NR 84
TC 31
Z9 31
U1 17
U2 101
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 2014
VL 7
IS 12
BP 4132
EP 4146
DI 10.1039/c4ee02636e
PG 15
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA AT7BC
UT WOS:000345090100028
ER
PT J
AU Hlova, IZ
Gupta, S
Goldston, JF
Kobayashi, T
Pruski, M
Pecharsky, VK
AF Hlova, Ihor Z.
Gupta, Shalabh
Goldston, Jennifer F.
Kobayashi, Takeshi
Pruski, Marek
Pecharsky, Vitalij K.
TI Dry mechanochemical synthesis of alane from LiH and AlCl3
SO FARADAY DISCUSSIONS
LA English
DT Article
ID COMPLEX METAL-HYDRIDES; ALUMINUM-HYDRIDE; THERMAL-DECOMPOSITION; ALH3;
TRANSFORMATIONS; LIALH4; SODIUM
AB A mechanochemical process for the synthesis of alane (AlH3) starting from lithium hydride (LiH) and aluminium chloride (AlCl3) at room temperature and the underlying reaction pathway have been studied. In contrast to a conventional process using the same two reactants dissolved in diethyl ether, our approach enables a solvent-free synthesis, thereby directly leading to adduct-free alane. The method described here is quick and efficient, resulting in the quantitative conversion of all aluminium in the starting mixture to alane. Both the intermediate compounds formed during the reaction and the final products have been characterized by powder X-ray diffraction, solid-state Al-27 NMR spectroscopy, and temperature programmed desorption analysis of the as-milled mixtures. We show that excess LiH in the starting mixture (with an optimal ratio of 9LiH : 1AlCl(3)) is essential for the formation and stability of Al-H bonds, initially in the form of alanates and, eventually, as alane. Further processing of this mixture, gradually adding AlCl3 to reach the ideal 3LiH : 1AlCl(3) stoichiometry, appears to restrict the local accumulation of AlCl3 during the ball-milling process, thereby preventing the formation of unstable intermediates that decompose to metallic Al and molecular hydrogen. We also demonstrate that under the milling conditions used, a moderate hydrogen pressure of ca. 300 bar is required to suppress competing reactions that lead to the formation of metallic Al at room temperature. The identification of the reaction intermediates at each stage of the synthesis provides significant insight into the mechanism of this solid-state reaction, which may potentially afford a more rational approach toward the production of AlH3 in a simple solvent-free process.
C1 [Hlova, Ihor Z.; Gupta, Shalabh; Goldston, Jennifer F.; Kobayashi, Takeshi; Pruski, Marek; Pecharsky, Vitalij K.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
[Goldston, Jennifer F.; Kobayashi, Takeshi; Pruski, Marek] Iowa State Univ, Dept Chem, Ames, IA USA.
[Hlova, Ihor Z.; Pecharsky, Vitalij K.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.
RP Gupta, S (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
EM shalabh@ameslab.gov; mpruski@iastate.edu; vitkp@ameslab.gov
FU U.S. Department of Energy (DOE), Office of Science, Basic Energy
Sciences, Materials Science and Engineering Division; U.S. DOE by Iowa
State University [DE-AC02-07CH11358]
FX This work was supported by the 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 33
TC 1
Z9 1
U1 5
U2 24
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-6640
EI 1364-5498
J9 FARADAY DISCUSS
JI Faraday Discuss.
PY 2014
VL 170
BP 137
EP 153
DI 10.1039/c3fd00161j
PG 17
WC Chemistry, Physical
SC Chemistry
GA AT8UX
UT WOS:000345208300010
PM 25408945
ER
PT S
AU Rodriguez, G
Sandberg, RL
Lalone, BM
Marshall, BR
Grover, M
Stevens, G
Udd, E
AF Rodriguez, G.
Sandberg, R. L.
Lalone, B. M.
Marshall, B. R.
Grover, M.
Stevens, G.
Udd, E.
BE Du, HH
Pickrell, G
Udd, E
Baldwin, CS
Benterou, JJ
Wang, A
TI High pressure sensing and dynamics using high speed fiber Bragg grating
interrogation systems
SO FIBER OPTIC SENSORS AND APPLICATIONS XI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Fiber Optic Sensors and Applications XI
CY MAY 08-09, 2014
CL Baltimore, MD
SP SPIE
DE fiber Bragg grating sensors; shockwave diagnostics; shock physics;
pressure measurements
ID SENSORS
AB Fiber Bragg gratings (FBGs) are developing into useful sensing tools for measuring high pressure dynamics in extreme environments under shock loading conditions. Approaches using traditional diode array coupled FBG interrogation systems are often limited to readout speeds in the sub-MHz range. For shock wave physics, required detection speeds approaching 100 MHz are desired. We explore the use of two types of FBG sensing systems that are aimed at applying this technology as embedded high pressure probes for transient shock events. Both approaches measure time resolved spectral shifts in the return light from short (few mm long) uniform FBGs at 1550 nm. In the first approach, we use a fiber coupled spectrometer to demultiplex spectral channels into an array (up to 12) of single element InGaAs photoreceivers. By monitoring the detectors during a shock impact event with high speed recording, we are able to track the pressure induced spectral shifting in FBG down to a time resolution of 20 ns. In the second approach, developed at the Special Technologies Lab, a coherent mode-locked fiber laser is used to illuminate the FBG sensor. After the sensor, wavelength-to-time mapping is accomplished with a chromatic dispersive element, and entire spectra are sampled using a single detector at the modelocked laser repetition rate of 50 MHz. By sampling with a 12 GHz InGaAs detector, direct wavelength mapping in time is recorded, and the pressure induced FBG spectral shift is sampled at 50 MHz. Here, the sensing systems are used to monitor the spectral shifts of FBGs that are immersed into liquid water and shock compressed using explosives. In this configuration, the gratings survive to pressures approaching 50 kbar. We describe both approaches and present the measured spectral shifts from the shock experiments.
C1 [Rodriguez, G.; Sandberg, R. L.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
[Lalone, B. M.; Marshall, B. R.; Grover, M.; Stevens, G.] Natl Secur Technol, Special Technol Lab, Goleta, CA 93111 USA.
[Udd, E.] Columbia Gorge Res, Fairview, OR 97024 USA.
RP Rodriguez, G (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
RI Rodriguez, George/G-7571-2012;
OI Rodriguez, George/0000-0002-6044-9462; Sandberg,
Richard/0000-0001-9719-8188
FU DOE/NNSA; Los Alamos National Laboratory; Department of Energy for Los
Alamos National Security LLC [DE-AC52-, 06NA25396]
FX Funding for this work was provided by the DOE/NNSA Campaign 2 at Los
Alamos National Laboratory under the auspices of the Department of
Energy for Los Alamos National Security LLC under Contract no.DE-AC52-
06NA25396. We also thank National Security Technologies for use of
facilities for experimental operations.
NR 14
TC 2
Z9 2
U1 0
U2 5
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-035-8
J9 PROC SPIE
PY 2014
VL 9098
AR UNSP 90980C
DI 10.1117/12.2054600
PG 9
WC Remote Sensing; Optics
SC Remote Sensing; Optics
GA BB6WF
UT WOS:000345069900009
ER
PT S
AU Udd, E
Rodriguez, G
Sandberg, RL
AF Udd, Eric
Rodriguez, George
Sandberg, Richard L.
BE Du, HH
Pickrell, G
Udd, E
Baldwin, CS
Benterou, JJ
Wang, A
TI HIGH SPEED FIBER GRATING PRESSURE SENSORS
SO FIBER OPTIC SENSORS AND APPLICATIONS XI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Fiber Optic Sensors and Applications XI
CY MAY 08-09, 2014
CL Baltimore, MD
SP SPIE
AB Fiber grating pressure sensors have been used to support pressure measurements associated with burn, deflagration and detonation of energetic materials. This paper provides an overview of this technology and serves as a companion paper to the application of this technology to measuring pressure during high speed impacts [1].
C1 [Udd, Eric] Columbia Gorge Res LLC, POB 382, Fairview, OR 97024 USA.
[Rodriguez, George; Sandberg, Richard L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Udd, E (reprint author), Columbia Gorge Res LLC, POB 382, Fairview, OR 97024 USA.
FU SBIR [W31P4Q-11-C-0209]; US Army
FX This work was performed under SBIR contract W31P4Q-11-C-0209 awarded to
Columbia Gorge Research LLC and sponsored by the US Army. The help of
our technical program monitors William Chew, Stan Smith and Jessica
Stanfield has been invaluable and we would like to offer our sincere
thanks. We would also like to thank Dawn Gratz of the Army SBIR office
for her continued assistance and support throughout this effort.
NR 7
TC 1
Z9 1
U1 0
U2 2
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-035-8
J9 PROC SPIE
PY 2014
VL 9098
AR UNSP 90980B
DI 10.1117/12.2054439
PG 9
WC Remote Sensing; Optics
SC Remote Sensing; Optics
GA BB6WF
UT WOS:000345069900008
ER
PT J
AU LaHaye, NL
Harilal, SS
Diwakar, PK
Hassanein, A
AF LaHaye, N. L.
Harilal, S. S.
Diwakar, P. K.
Hassanein, A.
TI Characterization of laser ablation sample introduction plasma plumes in
fs-LA-ICP-MS
SO JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY
LA English
DT Article
ID MASS-SPECTROMETRY; ELEMENTAL FRACTIONATION
AB Laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS) is a well-established elemental analysis technique which has been applied to a variety of fields. However, LA-ICP-MS still faces substantial challenges in the deviation of detected elemental concentrations from the known composition of the sample, or elemental fractionation. Applying optical emission spectroscopy (OES) during the LA process for LA-ICP-MS can help to characterize the emitted plasma plume and potentially identify sources of elemental fractionation during LA. We characterize LA sample introduction plume using OES during fs-LA-ICP-MS analysis of a brass sample. Fundamental plume parameters, i.e., electron temperature and density are estimated and correlated with ICP-MS signal characteristics, which give insight into how laser ablation plume parameters are related to LA-ICP-MS results. The hydrodynamic expansion features of fs-LA sample introduction plumes are evaluated using shadowgraphy and time-and spectrally-resolved fast-gated photography. Results showed dissimilarities in Cu I and Zn I expansion features. There is a very good correlation between the ICP-MS signal intensities and characteristic parameters of the sample introduction plumes. However, the crater formation during single spot ablation caused significant changes in line emission intensities though the estimated temperature and density showed constant values.
C1 Purdue Univ, Ctr Mat EXtreme Environm, W Lafayette, IN 47907 USA.
Purdue Univ, Sch Nucl Engn, W Lafayette, IN 47907 USA.
RP Harilal, SS (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM hari@pnnl.gov
RI Harilal, Sivanandan/B-5438-2014;
OI Harilal, Sivanandan/0000-0003-2266-7976; LaHaye,
Nicole/0000-0001-5047-8078
FU DOE NNSA; NSF PIRE projects
FX This work is partially supported by the DOE NNSA and the NSF PIRE
projects.
NR 34
TC 3
Z9 3
U1 2
U2 14
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 2014
VL 29
IS 12
BP 2267
EP 2274
DI 10.1039/c4ja00200h
PG 8
WC Chemistry, Analytical; Spectroscopy
SC Chemistry; Spectroscopy
GA AT5NM
UT WOS:000344989600006
ER
PT J
AU Kurosaki, H
Cadieux, JR
Clark, SB
AF Kurosaki, H.
Cadieux, J. R.
Clark, S. B.
TI An alternative method for chronometric determinations involving curium
SO JOURNAL OF ANALYTICAL ATOMIC SPECTROMETRY
LA English
DT Article
ID IONIZATION MASS-SPECTROMETRY; NUCLEAR FORENSICS; ENVIRONMENTAL-ANALYSIS;
ALPHA-SPECTROMETRY; BIOASSAY METHOD; SEPARATION; ACTINIDES; AMERICIUM;
PLUTONIUM; SAMPLES
AB A method for quantifying ratios of isotopes of plutonium (Pu), americium (Am), and curium (Cm) using inductively coupled plasma mass spectrometry (ICP-MS) is described that does not require radiochemical separations or a chemical yield monitor. This approach provides more rapid analysis, which is important for chronometric applications related to nuclear forensics analysis. To demonstrate its utility, we used it to quantify the ingrowth Pu-240 (t(1/2) = 6563 years) from Cm-244 (t(1/2) = 18.10 years) in a solution of unknown "age" (e. g. time since last separation). Results are compared to similar samples for which the time since separation was known. In addition, alpha spectrometry was used to validate the ICP-MS measurements. In this case, Pu-238 and Am-241 were used as chemical yield monitors for Pu-240 and Cm-244, respectively. The relative standard deviation for the isotope ratio method using ICP-MS was slightly greater than the traditional radiometric approach, but sufficient for this application. Measured activity ratios of Pu-240 and Cm-244 provided an age for the unknown sample that linked it to research activities involving the production of curium isotopes for thermoelectric heat sources during the late 1970's.
C1 [Kurosaki, H.; Clark, S. B.] Washington State Univ, Dept Chem, Pullman, WA 99164 USA.
[Kurosaki, H.; Clark, S. B.] Nucl Radiat Ctr, Pullman, WA 99164 USA.
[Cadieux, J. R.] Savannah River Natl Lab, Aiken, SC 29808 USA.
RP Clark, SB (reprint author), Washington State Univ, Dept Chem, POB 644630, Pullman, WA 99164 USA.
EM s_clark@wsu.edu
FU US DOE Office of Science, Heavy Elements Chemistry Program at Washington
State University [DE-FG02-06ER15783]; US DOE at Savannah River National
Laboratory [DE-AC09-08SR2247]; NNSA [DE-NA-0000582]; Defense Threat
Reduction Agency of the US Department of Defense [HDTRA-11-0101-11]
FX We would like to acknowledge Mr Charles Knaack of Washington State
University School of Environmental Science for performing ICP-MS
measurement and Dr Evgeny Taskaev of Eckert & Ziegler, Analytics for
providing 244Cm solution. This project was partially funded
by US DOE Office of Science, Heavy Elements Chemistry Program,
DE-FG02-06ER15783 at Washington State University and by US DOE Contract
DE-AC09-08SR2247 at Savannah River National Laboratory. SBC also
acknowledges support from NNSA (contract DE-NA-0000582) and the Defense
Threat Reduction Agency of the US Department of Defense (contract
HDTRA-11-0101-11).
NR 25
TC 3
Z9 3
U1 1
U2 10
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 2014
VL 29
IS 12
BP 2419
EP 2423
DI 10.1039/c4ja00256c
PG 5
WC Chemistry, Analytical; Spectroscopy
SC Chemistry; Spectroscopy
GA AT5NM
UT WOS:000344989600025
ER
PT J
AU Ohta, M
Chung, DY
Kunii, M
Kanatzidis, MG
AF Ohta, Michihiro
Chung, Duck Young
Kunii, Masaru
Kanatzidis, Mercouri G.
TI Low lattice thermal conductivity in Pb5Bi6Se14, Pb3Bi2S6, and PbBi2S4:
promising thermoelectric materials in the cannizzarite, lillianite, and
galenobismuthite homologous series
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID PERFORMANCE BULK THERMOELECTRICS; X-RAY-DIFFRACTION; BISMUTH SELENIDES;
SOLID-SOLUTIONS; NANOSTRUCTURED THERMOELECTRICS; PANOSCOPIC APPROACH;
CRYSTAL-STRUCTURES; TEMPERATURE; SYSTEM; MERIT
AB The thermoelectric properties of Pb5Bi6Se14, a member of the cannizzarite homologous series; Pb3Bi2S6, a member of the lillianite homologous series; and PbBi2S4, a member of the galenobismuthite homologous series were investigated over the temperature range of 300 K to 723 K. The samples were synthesized by a solid state reaction of the binary precursors PbQ and Bi(2)Q(3) (Q = S and Se) in evacuated and sealed quartz tubes, followed by pulsed electric current sintering. The crystal structure of Pb5Bi6Se14 consists of alternating two-dimensional infinite layers of PbSe and Bi2Se3. In the Pb5Bi6Se14 sintered compacts, the ab-plane was preferentially oriented perpendicular to the pressing direction, resulting in highly anisotropic electrical and thermal transport properties. The crystal structure of Pb3Bi2S6 is formed by stacking NaCl-type (Pb/Bi) S layers with a mirror as twinning operation, while that of PbBi2S4 consists of the NaCl-type and Bi2S3-type strips (broken layers) of finite widths. The crystal grains of Pb3Bi2S6 and PbBi2S4 were grown randomly, leading to nearly isotropic electrical and thermal transport properties in the sintered compacts. For all the samples, an n-type degenerate semiconductor-like behavior was found, providing a notable thermoelectric power factor of similar to 3.0 mu W K-2 cm(-1) at 705 K for Pb5Bi6Se14, similar to 2.4 mu W K-2 cm(-1) at 715 K for Pb3Bi2S6, and similar to 2.6 mu W K-2 cm(-1) at 515 K for PbBi2S4 in a direction perpendicular to the pressing direction. Moreover, these materials exhibited effective phonon scattering, presumably at the interfaces between the layers, leading to extremely low lattice thermal conductivity in the range of 0.29 W K-1 m(-1) to 0.80 W K-1 m(-1) over the temperature range of 300 K to 723 K. The highest ZT of similar to 0.46 at 705 K was observed in Pb5Bi6Se14 for the ab-plane direction.
C1 [Ohta, Michihiro; Chung, Duck Young; Kanatzidis, Mercouri G.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Ohta, Michihiro; Kunii, Masaru] Natl Inst Adv Ind Sci & Technol, Energy Technol Res Inst, Tsukuba, Ibaraki 3058568, Japan.
[Kanatzidis, Mercouri G.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.
RP Kanatzidis, MG (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM m-kanatzidis@northwestern.edu
RI Ohta, Michihiro/J-8460-2015
OI Ohta, Michihiro/0000-0002-9093-7117
FU Japan-U. S. Cooperation Project for Research and Standardization of
Clean Energy Technologies - Ministry of Economy, Trade and Industry
(METI); JSPS KAKENHI [25420699]; U.S. Department of Energy, Office of
Sciences, Materials Sciences and Engineering Division
[DE-AC02-06CH11357]
FX We thank Mr. Hirotaka Nishiate of AIST for operating the ZEM3, LFA 457
MicroFlash, and Hall measurement system and Mr. Atsushi Yamamoto of AIST
for discussing and reviewing the manuscript. This study was partially
supported as part of the Japan-U. S. Cooperation Project for Research
and Standardization of Clean Energy Technologies funded by the Ministry
of Economy, Trade and Industry (METI). The work in AIST was supported by
JSPS KAKENHI Grant Number 25420699. The work at Argonne is supported by
the U.S. Department of Energy, Office of Sciences, Materials Sciences
and Engineering Division under Contract no. DE-AC02-06CH11357.
NR 76
TC 8
Z9 8
U1 6
U2 35
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 2014
VL 2
IS 47
BP 20048
EP 20058
DI 10.1039/c4ta05135a
PG 11
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA AT6RR
UT WOS:000345066900015
ER
PT J
AU Bailey, DH
de Prado, ML
AF Bailey, David H.
de Prado, Marcos Lopez
TI The Deflated Sharpe Ratio: Correcting for Selection Bias, Backtest
Overfitting, and Non-Normality
SO JOURNAL OF PORTFOLIO MANAGEMENT
LA English
DT Article
C1 [Bailey, David H.; de Prado, Marcos Lopez] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Bailey, David H.] Univ Calif Davis, Dept Comp Sci, Davis, CA 95616 USA.
[de Prado, Marcos Lopez] Guggenheim Partners, New York, NY USA.
EM david@davidhbailey.com; lopezdeprado@lbl.gov
NR 29
TC 4
Z9 4
U1 0
U2 0
PU INST INVESTOR INC
PI NEW YORK
PA 225 PARK AVE SOUTH, NEW YORK, NY 10003 USA
SN 0095-4918
EI 2168-8656
J9 J PORTFOLIO MANAGE
JI J. Portf. Manage.
PY 2014
VL 40
IS 5
BP 94
EP 107
DI 10.3905/jpm.2014.40.5.094
PG 14
WC Business, Finance
SC Business & Economics
GA AT9AA
UT WOS:000345218800008
ER
PT J
AU Ramirez-Cuesta, AJ
Mitchell, PCH
AF Ramirez-Cuesta, A. J.
Mitchell, Philip C. H.
BE Bruce, DW
OHare, D
Walton, RI
TI Neutrons and Neutron Spectroscopy
SO LOCAL STRUCTURAL CHARACTERISATION
SE Inorganic Materials Series
LA English
DT Article; Book Chapter
ID METAL-ORGANIC FRAMEWORKS; SECONDARY BUILDING UNITS; GAS-PHASE
HYDROGENATION; RANEY-NICKEL; J-PARC; CLATHRATE HYDRATE; CARBON-DIOXIDE;
VIBRATIONAL SPECTROSCOPY; OPERANDO SPECTROSCOPY; INELASTIC-SCATTERING
C1 [Ramirez-Cuesta, A. J.] STFC, Rutherford Appleton Lab, ISIS Facil, Oxford, England.
[Ramirez-Cuesta, A. J.] Oak Ridge Natl Lab, Neutron Sci Directorate, Oak Ridge, TN USA.
[Mitchell, Philip C. H.] Univ Reading, Dept Chem, Reading RG6 2AD, Berks, England.
RP Ramirez-Cuesta, AJ (reprint author), STFC, Rutherford Appleton Lab, ISIS Facil, Oxford, England.
NR 117
TC 0
Z9 0
U1 0
U2 3
PU BLACKWELL SCIENCE PUBL
PI OXFORD
PA OSNEY MEAD, OXFORD OX2 0EL, ENGLAND
BN 978-1-119-95320-3
J9 INORG MAT SER
PY 2014
BP 173
EP 224
PG 52
WC Materials Science, Characterization & Testing
SC Materials Science
GA BB6SJ
UT WOS:000344950400005
ER
PT J
AU Wang, H
Liu, FC
Fu, W
Fang, ZY
Zhou, W
Liu, Z
AF Wang, Hong
Liu, Fucai
Fu, Wei
Fang, Zheyu
Zhou, Wu
Liu, Zheng
TI Two-dimensional heterostructures: fabrication, characterization, and
application
SO NANOSCALE
LA English
DT Review
ID CHEMICAL-VAPOR-DEPOSITION; HEXAGONAL BORON-NITRIDE; FIELD-EFFECT
TRANSISTORS; DER-WAALS EPITAXY; LARGE-AREA GRAPHENE; FEW-LAYER GRAPHENE;
TRANSITION-METAL DICHALCOGENIDES; P-N DIODE;
SCANNING-TUNNELING-MICROSCOPY; CRYSTAL MONOLAYER GRAPHENE
AB Two-dimensional (2D) materials such as graphene, hexagonal boron nitrides (hBN), and transition metal dichalcogenides (TMDs, e.g., MoS2) have attracted considerable attention in the past few years because of their novel properties and versatile potential applications. These 2D layers can be integrated into a monolayer (lateral 2D heterostructure) or a multilayer stack (vertical 2D heterostructure). The resulting artificial 2D structures provide access to new properties and applications beyond their component 2D atomic crystals and hence, they are emerging as a new exciting field of research. In this article, we review recent progress on the fabrication, characterization, and applications of various 2D heterostructures.
C1 [Wang, Hong; Liu, Fucai; Fu, Wei; Liu, Zheng] Nanyang Technol Univ, Sch Mat Sci & Engn, Singapore 639798, Singapore.
[Fang, Zheyu] Peking Univ, State Key Lab Mesoscop Phys, Sch Phys, Beijing 100871, Peoples R China.
[Fang, Zheyu] Collaborat Innovat Ctr Quantum Matter, Beijing 100871, Peoples R China.
[Fang, Zheyu] Rice Univ, Dept Elect & Comp Engn, Houston, TX 77005 USA.
[Fang, Zheyu] Rice Univ, Lab Nanophoton, Houston, TX 77005 USA.
[Zhou, Wu] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Liu, Zheng] Nanyang Technol Univ, Sch Elect & Elect Engn, Nanoelect Ctr Excellence, NOVITAS, Singapore 639798, Singapore.
[Liu, Zheng] CINTRA CNRS NTU THALES, UMI 3288, Singapore 637553, Singapore.
RP Liu, Z (reprint author), Nanyang Technol Univ, Sch Mat Sci & Engn, Singapore 639798, Singapore.
EM z.liu@ntu.edu.sg
RI Liu, Zheng/C-1813-2014; Zhou, Wu/D-8526-2011; Fang, Zheyu/E-5724-2013
OI Liu, Zheng/0000-0002-8825-7198; Zhou, Wu/0000-0002-6803-1095;
FU Singapore National Research Foundation under NRF RF Award
[NRF-RF2013-08]; Nanyang Technological University [M4081137.070];
National Natural Science Foundation of China [61422501, 11374023];
National Basic Research Program of China (973 Program) [2015CB932400];
Beijing Natural Science Foundation [L140007]; Wigner Fellowship through
the Laboratory Directed Research and Development Program of Oak Ridge
National Laboratory (ORNL); ORNL's Center for Nanophase Materials
Sciences (CNMS) - Scientific User Facilities Division, Office of Basic
Energy Sciences, U.S. DOE
FX This work is supported by the Singapore National Research Foundation
under NRF RF Award no. NRF-RF2013-08, the start-up funding from Nanyang
Technological University (M4081137.070). This work is supported by
National Natural Science Foundation of China (grant no. 61422501 and
11374023), the National Basic Research Program of China (973 Program),
grant no. 2015CB932400, and Beijing Natural Science Foundation (grant
no. L140007). This research is supported in part by a Wigner Fellowship
through the Laboratory Directed Research and Development Program of Oak
Ridge National Laboratory (ORNL), managed by UT-Battelle, LLC, for the
U.S. DOE (WZ), and 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. DOE.
NR 222
TC 68
Z9 69
U1 69
U2 438
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 2014
VL 6
IS 21
BP 12250
EP 12272
DI 10.1039/c4nr03435j
PG 23
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA AT5QQ
UT WOS:000344997500004
PM 25219598
ER
PT J
AU Fujita, T
Ito, Y
Tan, YW
Yamaguchi, H
Hojo, D
Hirata, A
Voiry, D
Chhowalla, M
Chen, MW
AF Fujita, Takeshi
Ito, Yoshikazu
Tan, Yongwen
Yamaguchi, Hisato
Hojo, Daisuke
Hirata, Akihiko
Voiry, Damien
Chhowalla, Manish
Chen, Mingwei
TI Chemically exfoliated ReS2 nanosheets
SO NANOSCALE
LA English
DT Article
ID HYDROGEN EVOLUTION REACTION; METAL DICHALCOGENIDE NANOSHEETS;
SINGLE-LAYER MOS2; PHOTOLUMINESCENCE; GRAPHENE; WS2; NANOSTRUCTURES;
NANOPARTICLES; DISULFIDE; CATALYSIS
AB The production of two-dimensional rhenium disulfide (ReS2) nanosheets by exfoliation using lithium intercalation is demonstrated. The vibrational and photoluminescence properties of the exfoliated nanosheets are investigated, and the local atomic structure is studied by scanning and transmission electron microscopy. The catalytic activity of the nanosheets in a hydrogen evolution reaction (HER) is also investigated. The electrochemical properties of the exfoliated ReS2 nanosheets include low overpotentials of similar to 100 mV and low Tafel slopes of 75 mV dec(-1) for HER and are attributed to the atomic structure of the superlattice 1T' phase. The presence of bandgap photoluminescence demonstrates that the nanosheets retain their semiconducting nature. ReS2 nanosheets produced by this method provide unique photocatalytic properties that are superior to those of other two-dimensional systems.
C1 [Fujita, Takeshi; Ito, Yoshikazu; Tan, Yongwen; Hojo, Daisuke; Hirata, Akihiko; Chen, Mingwei] Tohoku Univ, WPI Adv Inst Mat Res, Sendai, Miyagi 9808577, Japan.
[Yamaguchi, Hisato] Los Alamos Natl Lab, MPA Div, Los Alamos, NM 87545 USA.
[Voiry, Damien; Chhowalla, Manish] Rutgers State Univ, Piscataway, NJ 08854 USA.
[Chen, Mingwei] Shanghai Jiao Tong Univ, Sch Mat Sci & Engn, State Key Lab Met Matrix Composites, Shanghai 200030, Peoples R China.
RP Fujita, T (reprint author), Tohoku Univ, WPI Adv Inst Mat Res, Sendai, Miyagi 9808577, Japan.
EM tfujita@wpi-aimr.tohoku.ac.jp; mwchen@wpi-aimr.tohoku.ac.jp
RI Fujita, Takeshi/B-1867-2009; Tan, Yongwen/A-8198-2015; Hojo,
Daisuke/A-4861-2010; Yamaguchi, Hisato/C-5571-2008; Ito,
Yoshikazu/D-5215-2011; Hirata, Akihiko/A-4850-2010; Chen,
Mingwei/A-4855-2010; Voiry, Damien/G-3541-2016
OI Fujita, Takeshi/0000-0002-2318-0433; Yamaguchi,
Hisato/0000-0002-6703-8826; Chen, Mingwei/0000-0002-2850-8872; Voiry,
Damien/0000-0002-1664-2839
FU JSPS [24656028, 90363382]
FX This work was supported by JSPS, Grant-in-Aid for Challenging
Exploratory Research (24656028), Scientific Research on Innovative Areas
"Science of Atomic Layers" (90363382).
NR 39
TC 26
Z9 26
U1 28
U2 154
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 2014
VL 6
IS 21
BP 12458
EP 12462
DI 10.1039/c4nr03740e
PG 5
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA AT5QQ
UT WOS:000344997500034
PM 25237929
ER
PT J
AU Xiang, X
Nie, JL
Sun, K
Zhang, L
Liu, W
Schwank, J
Wang, SF
Zhong, M
Gao, F
Zu, XT
AF Xiang, Xia
Nie, Jinlan
Sun, Kai
Zhang, Li
Liu, Wei
Schwank, Johannes
Wang, Shifa
Zhong, Mian
Gao, Fei
Zu, Xiaotao
TI Structural evolution of NiAu nanoparticles under ambient conditions
directly revealed by atom-resolved imaging combined with DFT simulation
SO NANOSCALE
LA English
DT Article
ID CO OXIDATION; ELECTRON-MICROSCOPY; ENVIRONMENTAL CELL; CATALYSIS;
RESOLUTION; DIFFUSION; PRESSURE; GROWTH; CROWN; GAS
AB From an economic point of view, the structural stability of noble-transition bimetallic catalysts is as significant as their well-studied catalytic efficiency. The structural evolution and corresponding dynamics of NiAu bimetallic nanoparticles under ambient conditions are investigated using in situ Cs-corrected STEM and DFT calculations. During oxidization, the Au component promotes dissociation of oxygen and initiates Ni oxidization, which simultaneously drives the migration of Au atoms, thus yielding multi-shell structures (denoted by Ni@Au@NiO). The subsequent hydrogen reduction induces surface reconstruction, forming fcc-NiAu clusters. After several cycles of catalyzing CO oxidization, both inverse Au segregation and Ni recrystallization occur, which are ascribed to exothermic excitation. The results of this study can help researchers understand the evolutionary behaviors of the bimetallic nanoparticles under ambient conditions as well as optimize the structural design of bimetallic catalysts.
C1 [Xiang, Xia; Nie, Jinlan; Zhang, Li; Liu, Wei; Wang, Shifa; Zhong, Mian; Zu, Xiaotao] Univ Elect Sci & Technol China, Sch Phys Elect, Chengdu 610054, Peoples R China.
[Xiang, Xia; Nie, Jinlan; Zhang, Li; Liu, Wei; Wang, Shifa; Zhong, Mian; Zu, Xiaotao] Univ Elect Sci & Technol China, Inst Fundmental & Frontier Sci, Chengdu 610054, Peoples R China.
[Sun, Kai; Liu, Wei] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA.
[Schwank, Johannes] Univ Michigan, Dept Chem Engn, Ann Arbor, MI 48109 USA.
[Gao, Fei] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Liu, W (reprint author), Univ Elect Sci & Technol China, Sch Phys Elect, Chengdu 610054, Peoples R China.
EM weiliu@uestc.edu.cn; xtzu@uestc.edu.cn
RI Liu, Wei/C-2366-2011
OI Liu, Wei/0000-0002-4403-737X
FU National Natural Science Foundation of China [11304209]; Start Science
Foundation of University of Electronic Science and Technology of China
for Talent Introduction [Y02002010401084]
FX This work was supported by the National Natural Science Foundation of
China (no. 11304209), Start Science Foundation of University of
Electronic Science and Technology of China for Talent Introduction (no.
Y02002010401084). The JEOL JEM 2100F transmission electron microscope
with a probe corrector was supported by the NSF-USA (no. DMR-0723032).
NR 38
TC 4
Z9 4
U1 11
U2 75
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 2014
VL 6
IS 21
BP 12898
EP 12904
DI 10.1039/c4nr03559c
PG 7
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA AT5QQ
UT WOS:000344997500084
PM 25230836
ER
PT S
AU Awwal, AAS
Leach, RR
Roberts, RS
Wilhelmsen, K
McGuigan, D
Jarboe, J
AF Awwal, Abdul A. S.
Leach, Richard R., Jr.
Roberts, Randy S.
Wilhelmsen, Karl
McGuigan, David
Jarboe, Jeff
BE Awwal, AAS
Iftekharuddin, KM
Matin, MA
Marquez, A
TI Detecting objects with partial obstruction at the ARC split beam
injector images at the National Ignition Facility
SO OPTICS AND PHOTONICS FOR INFORMATION PROCESSING VIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT 8th Conference of Optics and Photonics for Information Processing
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE Optical alignment; pattern recognition; Laser alignment; image
processing; correlation; matched filtering; programmable spatial shaper;
spatial light modulator
ID ALIGNMENT; LASER
AB The National Ignition Facility (NIF) utilizes 192 beams, four of which are diverted to create the Advanced Radiographic Capability (ARC) by generating a sequence of short laser pulses. This ARC beam after being converted to X-rays will act as a back lighter to create a radiographic movie and provide an unprecedented insight into the imploding dynamics and serve as a diagnostic for tuning the experimental parameters to achieve fusion. One such beam is the centering beam of the pre-amplifier module which due to a split path obstructs the central square alignment fiducials. This fiducial is used for alignment and also as reference for the programmable spatial shaper (PSS) system. Image processing algorithms are used to process the images and calculate the position of various fiducials in the beam path. We discuss the algorithm to process ARC split beam injector (SBI) centering images with partial fiducial information.
C1 [Awwal, Abdul A. S.; Leach, Richard R., Jr.; Roberts, Randy S.; Wilhelmsen, Karl; McGuigan, David; Jarboe, Jeff] Lawrence Livermore Natl Lab, Computat Engn Div, Natl Ignit Facil, Livermore, CA 94551 USA.
RP Awwal, AAS (reprint author), Lawrence Livermore Natl Lab, Computat Engn Div, Natl Ignit Facil, Livermore, CA 94551 USA.
EM awwal1@llnl.gov
NR 10
TC 2
Z9 2
U1 0
U2 5
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-243-7
J9 PROC SPIE
PY 2014
VL 9216
AR 92160E
DI 10.1117/12.2062678
PG 10
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BB6TP
UT WOS:000345007500013
ER
PT S
AU Leach, RR
Awwal, A
Bliss, E
Roberts, R
Rushford, M
Wilhelmsen, K
Zobrist, T
AF Leach, Richard R., Jr.
Awwal, Abdul
Bliss, Erlan
Roberts, Randy
Rushford, Michael
Wilhelmsen, Karl
Zobrist, Thomas
BE Awwal, AAS
Iftekharuddin, KM
Matin, MA
Marquez, A
TI Analysis of the Confluence of Three Patterns Using the Centering and
Pointing System (CAPS) Images for the Advanced Radiographic Capability
(ARC) at the National Ignition Facility
SO OPTICS AND PHOTONICS FOR INFORMATION PROCESSING VIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT 8th Conference of Optics and Photonics for Information Processing
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE Advanced Radiographic Capability (ARC); Optical alignment; confluence;
image processing; image analysis; National Ignition Facility (NIF)
AB The Advance Radiographic Capability (ARC) at the National Ignition Facility (NIF) is a laser system that employs up to four petawatt (PW) lasers to produce a sequence of short pulses that generate X-rays which backlight high-density internal confinement fusion (ICF) targets. Employing up to eight backlighters, ARC can produce an X-ray "motion picture" to diagnose the compression and ignition of a cryogenic deuterium-tritium target with tens-of-picosecond temporal resolution during the critical phases of an ICF shot. Multi-frame, hard-X-ray radiography of imploding NIF capsules is a capability which is critical to the success of NIF's missions. The function of the Centering and Pointing System (CAPS) in ARC is to provide superimposed near-field and far-field images on a common optical path. The Images are then analyzed to extract beam centering and pointing data for the control system. The images contain the confluence of pointing, centering, and reference patterns. The patterns may have uneven illumination, particularly when the laser is misaligned. In addition, the simultaneous appearance of three reference patterns may be co-incidental, possibly masking one or more of the patterns. Image analysis algorithms have been developed to determine the centering and pointing position of ARC from these images. In the paper we describe the image analysis algorithms used to detect and identify the centers of these patterns. Results are provided, illustrating how well the process meets system requirements.
C1 [Leach, Richard R., Jr.; Awwal, Abdul; Bliss, Erlan; Roberts, Randy; Rushford, Michael; Wilhelmsen, Karl; Zobrist, Thomas] Lawrence Livermore Natl Lab, Computat Engn Div, Natl Ignit Facil, Livermore, CA 94551 USA.
RP Leach, RR (reprint author), Lawrence Livermore Natl Lab, Computat Engn Div, Natl Ignit Facil, Livermore, CA 94551 USA.
EM leach1@llnl.gov
NR 12
TC 3
Z9 3
U1 0
U2 7
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-243-7
J9 PROC SPIE
PY 2014
VL 9216
AR 92161Q
DI 10.1117/12.2064664
PG 14
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BB6TP
UT WOS:000345007500047
ER
PT S
AU Roberts, RS
Bliss, ES
Rushford, MC
Halpin, JM
Awwal, AAS
Leach, RR
AF Roberts, Randy S.
Bliss, Erlan S.
Rushford, Michael C.
Halpin, John M.
Awwal, Abdul A. S.
Leach, Richard R., Jr.
BE Awwal, AAS
Iftekharuddin, KM
Matin, MA
Marquez, A
TI Image Analysis Algorithms for the Advanced Radiographic Capability (ARC)
Grating Tilt Sensor at the National Ignition Facility
SO OPTICS AND PHOTONICS FOR INFORMATION PROCESSING VIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT 8th Conference of Optics and Photonics for Information Processing
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE Optical alignment; pattern recognition; image processing; image analysis
AB The Advance Radiographic Capability (ARC) at the National Ignition Facility (NIF) is a laser system designed to produce a sequence of short pulses used to backlight imploding fuel capsules. Laser pulses from a short-pulse oscillator are dispersed in wavelength into long, low-power pulses, injected in the NIF main laser for amplification, and then compressed into high-power pulses before being directed into the NIF target chamber. In the target chamber, the laser pulses hit targets which produce x-rays used to backlight imploding fuel capsules. Compression of the ARC laser pulses is accomplished with a set of precision-surveyed optical gratings mounted inside of vacuum vessels. The tilt of each grating is monitored by a measurement system consisting of a laser diode, camera and crosshair, all mounted in a pedestal outside of the vacuum vessel, and a mirror mounted on the back of a grating inside the vacuum vessel. The crosshair is mounted in front of the camera, and a diffraction pattern is formed when illuminated with the laser diode beam reflected from the mirror. This diffraction pattern contains information related to relative movements between the grating and the pedestal. Image analysis algorithms have been developed to determine the relative movements between the gratings and pedestal. In the paper we elaborate on features in the diffraction pattern, and describe the image analysis algorithms used to monitor grating tilt changes. Experimental results are provided which indicate the high degree of sensitivity provided by the tilt sensor and image analysis algorithms.
C1 [Roberts, Randy S.; Bliss, Erlan S.; Rushford, Michael C.; Halpin, John M.; Awwal, Abdul A. S.; Leach, Richard R., Jr.] Lawrence Livermore Natl Lab, Natl Ignit Facil, Livermore, CA 94551 USA.
RP Roberts, RS (reprint author), Lawrence Livermore Natl Lab, Natl Ignit Facil, Livermore, CA 94551 USA.
EM roberts38@llnl.gov
NR 9
TC 2
Z9 2
U1 0
U2 6
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-243-7
J9 PROC SPIE
PY 2014
VL 9216
AR 92160B
DI 10.1117/12.2062679
PG 10
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BB6TP
UT WOS:000345007500011
ER
PT J
AU Wan, LF
Beckman, SP
AF Wan, L. F.
Beckman, S. P.
TI Complex borides based on AlLiB14 as high-temperature thermoelectric
compounds
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; TRANSPORT-PROPERTIES; P-TYPE;
BORON; PSEUDOPOTENTIALS; ALLOYS
AB AlLiB14 is examined as a potential high-temperature thermoelectric material. First-principles methods are used to investigate the thermoelectric behavior and it is found to have a band gap of 2.13 eV, and an electronic dispersion with characteristic indicative of having a high Seebeck coefficient. Semiclassical Boltzmann transport theory predicts that AlLiB14 will have a Seebeck coefficient greater than 200 mu V K-1, at temperatures near 1000 K and carrier concentrations around 1 x 10(20) cm(-3). Using a elasticity based expression for the thermal conductivity, the thermoelectric figure of merit is approximated to be 0.45 x 10(-3) T at moderate doping levels.
C1 [Wan, L. F.; Beckman, S. P.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.
[Wan, L. F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Div Mat Sci, Berkeley, CA 94720 USA.
RP Beckman, SP (reprint author), Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA.
EM sbeckman@iastate.edu
RI Foundry, Molecular/G-9968-2014
FU US Army Research Office [W911NF-11-C-0268]; National Science Foundation
[DMR-1105641]
FX The work of LFW was sponsored in part by the US Army Research Office
under contract number W911NF-11-C-0268 and in part by the National
Science Foundation through grant DMR-1105641. The work of SPB was
sponsored by the National Science Foundation through grant DMR-1105641.
NR 46
TC 4
Z9 4
U1 0
U2 22
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 46
BP 25337
EP 25341
DI 10.1039/c4cp03328k
PG 5
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AT5NL
UT WOS:000344989500018
PM 25337901
ER
PT J
AU Liu, B
Aidhy, DS
Zhang, Y
Weber, WJ
AF Liu, B.
Aidhy, D. S.
Zhang, Y.
Weber, W. J.
TI Theoretical investigation of thermodynamic stability and mobility of the
oxygen vacancy in ThO2-UO2 solid solutions
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID INTRINSIC POINT-DEFECTS; URANIUM-DIOXIDE; 1ST-PRINCIPLES CALCULATIONS;
ELECTRONIC-STRUCTURE; SINGLE-CRYSTAL; ENERGY-LOSS; MECHANISMS;
ENERGETICS; DIFFUSION; SPECTRA
AB The thermodynamic stability and the migration energy barriers of oxygen vacancies in ThO2-UO2 solid solutions are investigated by density functional theory calculations. In pure ThO2, the formation energy of the oxygen vacancy is 7.58 eV and 1.46 eV under O rich and O poor conditions, respectively, while its migration energy barrier is 1.97 eV. The addition of UO2 into ThO2 significantly decreases the energetics of formation and migration of the oxygen vacancy. Among the range of UO2-ThO2 solid solutions studied in this work, UO2 exhibits the lowest formation energy (5.99 eV and -0.13 eV under O rich and O poor conditions, respectively) and Th0.25U0.75O2 exhibits the lowest migration energy barrier (similar to 1 eV). Furthermore, by considering chemical potential, the phase diagram of the oxygen vacancy as a function of both temperature and oxygen partial pressure is shown, which could help to gain experimental control over oxygen vacancy concentration.
C1 [Liu, B.; Aidhy, D. S.; Zhang, Y.; Weber, W. J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Zhang, Y.; Weber, W. J.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
RP Liu, B (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
EM liub2@ornl.gov; wjweber@utk.edu
RI Liu, Bin/N-9955-2014; Weber, William/A-4177-2008
OI Weber, William/0000-0002-9017-7365
FU Materials Science of Actinides, an Energy Frontier Research Center -
Office of Basic Energy Sciences, U.S. Department of Energy; Office of
Science, US Department of Energy [DEAC02-05CH11231]
FX This work was supported as part of the Materials Science of Actinides,
an Energy Frontier Research Center funded by the Office of Basic Energy
Sciences, U.S. Department of Energy. This research used resources of the
National Energy Research Scientific Computing Center, supported by the
Office of Science, US Department of Energy under Contract No.
DEAC02-05CH11231.
NR 42
TC 1
Z9 1
U1 3
U2 22
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 46
BP 25461
EP 25467
DI 10.1039/c4cp03660c
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AT5NL
UT WOS:000344989500032
PM 25342500
ER
PT J
AU Cain, J
Laskin, A
Kholghy, MR
Thomson, MJ
Wang, H
AF Cain, Jeremy
Laskin, Alexander
Kholghy, Mohammad Reza
Thomson, Murray J.
Wang, Hai
TI Molecular characterization of organic content of soot along the
centerline of a coflow diffusion flame
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID IONIZATION-MASS-SPECTROMETRY; PREMIXED ETHYLENE FLAMES; POLYCYCLIC
AROMATIC-HYDROCARBONS; PARTICLE MEASUREMENTS; PRECURSOR PARTICLES; SIZE
DISTRIBUTION; NASCENT SOOT; YOUNG SOOT; JET A-1; MECHANISM
AB High-resolution mass spectrometry coupled with nanospray desorption electrospray ionization was used to probe chemical constituents of young soot particles sampled along the centerline of a coflow diffusion flame of a three-component Jet-A1 surrogate. In lower positions where particles are transparent to light extinction (lambda = 632.8 nm), peri-condensed polycyclic aromatic hydrocarbons (PAHs) are found to be the major components of the particle material. These particles become enriched with aliphatic components as they grow in mass and size. Before carbonization occurs, the constituent species in young soot particles are aliphatic and aromatic compounds 200-600 amu in mass, some of which are oxygenated. Particles dominated by PAHs or mixtures of PAHs and aliphatics can exhibit liquid-like appearance observed by electron microscopy and be transparent to visible light. The variations in chemical composition observed here indicate that the molecular processes of soot formation in coflow diffusion flames may be more complex than previously thought. For example, the mass growth and enrichment of aliphatic components in an initial mostly aromatic structure region of the flame that is absent of H atoms or other free radicals indicates that there must exist at least another mechanism of soot mass growth in addition to the hydrogen abstraction-carbon addition mechanism currently considered in fundamental models of soot formation.
C1 [Cain, Jeremy] Univ Dayton, Res Inst, Dayton, OH 45420 USA.
[Laskin, Alexander] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA.
[Kholghy, Mohammad Reza; Thomson, Murray J.] Univ Toronto, Dept Mech & Ind Engn, Toronto, ON M5S 3G8, Canada.
[Wang, Hai] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA.
RP Cain, J (reprint author), Univ Dayton, Res Inst, 300 Coll Pk, Dayton, OH 45420 USA.
EM jeremy.cain@udri.udayton.edu
RI Wang, Hai/A-1292-2009; Laskin, Alexander/I-2574-2012
OI Wang, Hai/0000-0001-6507-5503; Laskin, Alexander/0000-0002-7836-8417
FU Chemical Imaging Initiative of the Laboratory Directed Research and
Development program at the Pacific Northwest National Laboratory (PNNL);
Office of Biological and Environmental Research, U.S. DOE; U.S.
Department of Energy by Battelle Memorial Institute [DE-AC06-76RL0];
UDRI Shock Tube Lab; Combustion Energy Frontier Research Center (CEFRC),
an Energy Frontier Research Center - U.S. Department of Energy, Office
of Science, Office of Basic Energy Sciences [DE-SC000119]; Natural
Sciences and Engineering Research Council of Canada (NSERC); BiofuelNet
Canada; NSERC Vanier program
FX The work at EMSL/PNNL was supported by the Chemical Imaging Initiative
of the Laboratory Directed Research and Development program at the
Pacific Northwest National Laboratory (PNNL). The nano-DESI/HR-MS
analysis was performed at Environmental Molecular Sciences Laboratory, a
national scientific user facility located at PNNL and sponsored by the
Office of Biological and Environmental Research, U.S. DOE. PNNL is
operated by the U.S. Department of Energy by Battelle Memorial Institute
under contract DE-AC06-76RL0. This research was performed in part while
Jeremy Cain held a National Research Council Research Associateship
Award at Wright-Patterson Air Force Base. Support from the UDRI Shock
Tube Lab is also appreciated. Work at Stanford was supported by the
Combustion Energy Frontier Research Center (CEFRC), an Energy Frontier
Research Center funded by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences under Award Number DE-SC000119.
Work at the University of Toronto was supported by the Natural Sciences
and Engineering Research Council of Canada (NSERC) and BiofuelNet
Canada. Mohammad Reza Kholghy also acknowledges the NSERC Vanier program
for a graduate scholarship and Dr Meghdad Saffaripour for discussions.
NR 58
TC 7
Z9 7
U1 3
U2 26
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 47
BP 25862
EP 25875
DI 10.1039/c4cp03330b
PG 14
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AT8UW
UT WOS:000345208200024
PM 25354231
ER
PT J
AU Haim, L
Hagberg, A
Nagao, R
Steinberg, AP
Dolnik, M
Epstein, IR
Meron, E
AF Haim, Lev
Hagberg, Aric
Nagao, Raphael
Steinberg, Asher Preska
Dolnik, Milos
Epstein, Irving R.
Meron, Ehud
TI Fronts and patterns in a spatially forced CDIMA reaction
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID MALONIC-ACID; OSCILLATORY SYSTEMS; CHLORINE DIOXIDE; NONEQUILIBRIUM
SYSTEMS; FREQUENCY LOCKING; EXTENDED SYSTEMS; IODINE; BREAKING
AB We use the CDIMA chemical reaction and the Lengyel-Epstein model of this reaction to study resonant responses of a pattern-forming system to time-independent spatial periodic forcing. We focus on the 2 : 1 resonance, where the wavenumber of a one-dimensional periodic forcing is about twice the wavenumber of the natural stripe pattern that the unforced system tends to form. Within this resonance, we study transverse fronts that shift the phase of resonant stripe patterns by p. We identify phase fronts that shift the phase discontinuously, and pairs of phase fronts that shift the phase continuously, clockwise and anti-clockwise. We further identify a front bifurcation that destabilizes the discontinuous front and leads to a pair of continuous fronts. This bifurcation is the spatial counterpart of the nonequilibrium Ising-Bloch (NIB) bifurcation in temporally forced oscillatory systems. The spatial NIB bifurcation that we find occurs as the forcing strength is increased, unlike earlier studies of the NIB bifurcation. Furthermore, the bifurcation is subcritical, implying a range of forcing strength where both discontinuous Ising fronts and continuous Bloch fronts are stable. Finally, we find that both Ising fronts and Bloch fronts can form discrete families of bound pairs, and we relate arrays of these front pairs to extended rectangular and oblique patterns.
C1 [Haim, Lev; Meron, Ehud] Ben Gurion Univ Negev, Dept Phys, IL-84105 Beer Sheva, Israel.
[Haim, Lev] Soroka Univ Med Ctr, Dept Oncol, IL-84101 Beer Sheva, Israel.
[Hagberg, Aric] Los Alamos Natl Lab, Div Theoret, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA.
[Nagao, Raphael; Dolnik, Milos; Epstein, Irving R.] Brandeis Univ, Dept Chem, Waltham, MA 02454 USA.
[Nagao, Raphael; Dolnik, Milos; Epstein, Irving R.] Brandeis Univ, Volen Ctr Complex Syst, Waltham, MA 02454 USA.
[Nagao, Raphael] St Louis Univ, Dept Chem, St Louis, MO 63103 USA.
[Steinberg, Asher Preska] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA.
[Meron, Ehud] Ben Gurion Univ Negev, BIDR, Dept Solar Energy & Environm Phys, IL-84990 Sede Boqer, Israel.
RP Hagberg, A (reprint author), Los Alamos Natl Lab, Div Theoret, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA.
RI MERON, EHUD/F-1810-2012; Nagao, Raphael/J-9148-2013
OI Nagao, Raphael/0000-0001-8400-9093
FU United States-Israel Binational Science Foundation [2008241]; Laboratory
Directed Research and Development program at Los Alamos National
Laboratory under Department of Energy [DE-AC52-06NA25396]
FX The support of the United States-Israel Binational Science Foundation
(Grant No. 2008241) is gratefully acknowledged. Part of this work was
funded by the Laboratory Directed Research and Development program at
Los Alamos National Laboratory under Department of Energy Contract No.
DE-AC52-06NA25396.
NR 35
TC 5
Z9 5
U1 0
U2 5
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 47
BP 26137
EP 26143
DI 10.1039/c4cp04261a
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AT8UW
UT WOS:000345208200052
PM 25360810
ER
PT J
AU Guo, Z
Lee, D
Strzalka, J
Gao, HF
Huang, LB
Khounsary, AM
Luo, TF
AF Guo, Zhi
Lee, Doyun
Strzalka, Joseph
Gao, Haifeng
Huang, Libai
Khounsary, Ali M.
Luo, Tengfei
TI Thermal conductivity of organic bulk heterojunction solar cells: an
unusual binary mixing effect
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID POWER CONVERSION EFFICIENCY; PHOTOVOLTAIC PERFORMANCE; POLYMER
COMPOSITES; SIDE-CHAINS; STABILITY; NANOFIBERS; SOLIDS
AB [6,6]-Phenyl-C61-butyric acid methyl ester (PCBM), a fullerene derivative, is the most widely used electron acceptor in bulk-heterojunction (BHJ) organic photovoltaics, and its concentration is usually tuned to achieve optimal device performance. However, PCBM loading can significantly impair the thermal transport performance of the BHJs due to its ultra-low thermal conductivity (0.03-0.07 W m(-1) K-1). In this work, we study the thermal conductivity of BHJs as a function of the PCBM concentration using time domain thermoreflectance. The thermal conductivities of BHJs composed of PCBM blended with donor polymers from the PBDTTT family with different side chains systematically deviate from those predicted by effective medium theory. Evidence presented in this work indicates that for these copolymers, only when the polymer concentration reaches a threshold value (similar to 30 to 35% volumetric fraction), does the thermal conductivity BHJ film start to increase, possibly due to the formation of high thermal conductivity percolation pathways.
C1 [Guo, Zhi; Luo, Tengfei] Univ Notre Dame, Dept Aerosp & Mech Engn, Notre Dame, IN 46556 USA.
[Lee, Doyun; Gao, Haifeng] Univ Notre Dame, Dept Chem & Biochem, Notre Dame, IN 46556 USA.
[Strzalka, Joseph] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA.
[Huang, Libai] Purdue Univ, Dept Chem, W Lafayette, IN 47907 USA.
[Khounsary, Ali M.] Illinois Inst Technol, Dept Phys, Chicago, IL 60616 USA.
[Khounsary, Ali M.] Argonne Natl Lab, Ctr Synchrotron Radiat Res & Instrumentat, Argonne, IL 60439 USA.
[Luo, Tengfei] Univ Notre Dame, Ctr Sustainable Energy Notre Dame, Notre Dame, IN 46556 USA.
RP Luo, TF (reprint author), Univ Notre Dame, Dept Aerosp & Mech Engn, Notre Dame, IN 46556 USA.
EM tluo@nd.edu
RI Gao, Haifeng/C-3286-2008; Guo, Zhi/E-3405-2015; Gao,
Haifeng/D-1610-2016; Luo, Tengfei/A-8354-2013
FU Sustainable Energy Initiative (SEI) at the University of Notre Dame; DOE
Office of Science by Argonne National Laboratory [DE-AC02-06CH11357]
FX This work is funded by the Sustainable Energy Initiative (SEI) at the
University of Notre Dame. 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 49
TC 6
Z9 6
U1 5
U2 34
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 47
BP 26359
EP 26364
DI 10.1039/c4cp04099f
PG 6
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AT8UW
UT WOS:000345208200078
PM 25367845
ER
PT S
AU Li, SQ
Zhou, W
Guo, PJ
Buchholz, DB
Qiu, ZW
Ketterson, JB
Ocola, LE
Sakoda, K
Chang, RPH
AF Li, Shi-Qiang
Zhou, Wei
Guo, Peijun
Buchholz, D. Bruce
Qiu, Ziwei
Ketterson, John B.
Ocola, Leonidas E.
Sakoda, Kazuaki
Chang, Robert P. H.
BE Boardman, AD
TI Highly tunable ultra-narrow-resonances with optical nano-antenna phased
arrays in the infrared
SO PLASMONICS: METALLIC NANOSTRUCTURES AND THEIR OPTICAL PROPERTIES XII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Plasmonics - Metallic Nanostructures and Their Optical
Properties XII
CY AUG 17-21, 2014
CL San Diego, CA
SP SPIE
DE Monopole optical antenna; diffractive coupling; Purcell factor; optical
focusing
ID NANOPARTICLES; SCATTERING
AB We report our recent development in pursuing high Quality-Factor (high-Q factor) plasmonic resonances, with vertically aligned two dimensional (2-D) periodic nanorod arrays. The 2-D vertically aligned nano-antenna array can have high-Q resonances varying arbitrarily from near infrared to terahertz regime, as the antenna resonances of the nanorod are highly tunable through material properties, the length of the nanorod, and the orthogonal polarization direction with respect to the lattice surface,. The high-Q in combination with the small optical mode volume gives a very high Purcell factor, which could potentially be applied to various enhanced nonlinear photonics or optoelectronic devices. The 'hot spots' around the nanorods can be easily harvested as no index-matching is necessary. The resonances maintain their high-Q factor with the change of the environmental refractive index, which is of great interest for molecular sensing.
C1 [Li, Shi-Qiang; Zhou, Wei; Guo, Peijun; Buchholz, D. Bruce; Qiu, Ziwei; Chang, Robert P. H.] Northwestern Univ, Dept Mat Sci & Engn, 2220 Campus Dr, Evanston, IL 60208 USA.
[Ketterson, John B.] Northwestern Univ, Dept Phys, Evanston, IL 60208 USA.
[Ketterson, John B.; Sakoda, Kazuaki; Chang, Robert P. H.] Northwestern Univ, NU NIMS Mat Innovat Ctr, Evanston, IL 60208 USA.
[Ocola, Leonidas E.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
[Sakoda, Kazuaki] Nat Inst Mat Sci, Tsukuba, Ibaraki 305, Japan.
RP Li, SQ (reprint author), Northwestern Univ, Dept Mat Sci & Engn, 2220 Campus Dr, Evanston, IL 60208 USA.
EM shiqiangli2013@u.northwestern.edu
RI Chang, R.P.H/B-7505-2009; zhou, wei/D-2312-2017;
OI zhou, wei/0000-0002-5257-3885; Li, Mike/0000-0002-4095-8606; Ocola,
Leonidas/0000-0003-4990-1064
FU NSF [DMR-1121262, DMR 0843962]; QUEST computational resources [p20194,
p20447]; Center for Nanoscale Materials in Argonne National Laboratory
[CNM 25883, CNM 30831]; NSF-NSEC; NSF-MRSEC; Keck Foundation; State of
Illinois; Northwestern University; U. S. Department of Energy, Office of
Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]
FX Supported by NSF funding (DMR-1121262 and DMR 0843962), QUEST
computational resources ( Project p20194 and Project p20447) and Center
for Nanoscale Materials in Argonne National Laboratory (Project CNM
25883 and Project CNM 30831). Various characterizations were done in
NUANCE center and KECK II Facilities in Northwestern University. The
NUANCE Center and KECK II Facilities are supported by the NSF-NSEC,
NSF-MRSEC, Keck Foundation, the State of Illinois, and Northwestern
University. E-beam lithography was performed with JEOL-9300 in the
Center for Nanoscale materials at Argonne National Laboratory. Use of
the Center for Nanoscale Materials was supported by the U. S. Department
of Energy, Office of Science, Office of Basic Energy Sciences, under
Contract No. DE-AC02-06CH11357.
NR 18
TC 0
Z9 0
U1 0
U2 3
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-190-4
J9 PROC SPIE
PY 2014
VL 9163
AR UNSP 91630R
DI 10.1117/12.2061430
PG 7
WC Nanoscience & Nanotechnology; Optics; Physics, Applied
SC Science & Technology - Other Topics; Optics; Physics
GA BB6TZ
UT WOS:000345022700008
ER
PT S
AU Velizhanin, KA
Shahbazyan, TV
AF Velizhanin, Kirill A.
Shahbazyan, Tigran V.
BE Boardman, AD
TI Strong exciton-plasmon coupling in graphene-semiconductor structures
SO PLASMONICS: METALLIC NANOSTRUCTURES AND THEIR OPTICAL PROPERTIES XII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Plasmonics - Metallic Nanostructures and Their Optical
Properties XII
CY AUG 17-21, 2014
CL San Diego, CA
SP SPIE
DE graphene; quantum wells; excitons; plasmons
ID RELAXATION-TIME APPROXIMATION; LINDHARD DIELECTRIC FUNCTION; POLARITONS;
DEVICES; ENERGY
AB We study strong coupling between plasmons in monolayer charge-doped graphene and excitons in a narrow gap semiconductor quantum well separated from graphene by a potential barrier. We show that the Coulomb interaction between excitons and plasmons result in mixed states described by a Hamiltonian similar to that for exciton-polaritons and derive the exciton-plasmon coupling constant that depends on system parameters. We calculate numerically the Rabi splitting of exciton-plasmariton dispersion branches for several semiconductor materials and find that it can reach values of up to 50 - 100 meV.
C1 [Velizhanin, Kirill A.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Shahbazyan, Tigran V.] Jackson State Univ, Dept Phys, Jackson, MS 39217 USA.
RP Velizhanin, KA (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RI Velizhanin, Kirill/C-4835-2008
FU NNSA of the U. S. DOE at LANL [DE AC52-06NA25396]; NSF [DMR-1206975]
FX Authors would like to thank G. Khodaparast for a helpful discussion.
Work at LANL was performed under the NNSA of the U. S. DOE at LANL under
Contract No. DE AC52-06NA25396. Work at JSU was supported by the NSF
under Grant No. DMR-1206975.
NR 56
TC 0
Z9 0
U1 2
U2 7
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-190-4
J9 PROC SPIE
PY 2014
VL 9163
AR UNSP 91630F
DI 10.1117/12.2061484
PG 15
WC Nanoscience & Nanotechnology; Optics; Physics, Applied
SC Science & Technology - Other Topics; Optics; Physics
GA BB6TZ
UT WOS:000345022700004
ER
PT S
AU Mahamat, AH
Shields, EA
AF Mahamat, Adoum H.
Shields, Eric A.
BE Chenault, DB
Goldstein, DH
TI Quantification of image registration error
SO POLARIZATION: MEASUREMENT, ANALYSIS, AND REMOTE SENSING XI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Polarization - Measurement, Analysis, and Remote Sensing
XI
CY MAY 05-06, 2014
CL Baltimore, MD
SP SPIE
DE Super-resolution; image registration; metric registration; Stokes
polarimetric
AB Image registration is a digital image processing technique that takes two or more of images of a scene in different-coordinate systems and transforms them into a single coordinate system. Image registration is a necessary step in many advanced image processing techniques, such as multi-frame super-resolution. For that reason, registration accuracy is very crucial. While image registration is usually performed on images, one can perform the registration using metric images as well. This paper will present registration methods and their accuracies for various noise levels for the case of pure translational image motion. Registration techniques will be applied to the images themselves as well as to phase congruency images, gradient images, and edge-detected images. This study will also investigate registration of under-sampled images. Noise-free images are degraded using three types of noise: additive Gaussian noise, fixed-pattern noise along the column direction, and a combination of these two. The registration error is quantified for two registration algorithms with three different images as a function of the signal-to-noise ratio. A test on the usefulness of the image registration and registration accuracy performed on the intensity images of the Stokes imaging polarimeter. The Stokes images calculated before and after registration of the intensity images are compared to each other to show the improvement.
C1 [Mahamat, Adoum H.; Shields, Eric A.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Mahamat, AH (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
NR 8
TC 0
Z9 0
U1 1
U2 3
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-036-5
J9 PROC SPIE
PY 2014
VL 9099
AR UNSP 90990H
DI 10.1117/12.2053484
PG 14
WC Remote Sensing; Optics
SC Remote Sensing; Optics
GA BB6TX
UT WOS:000345017900012
ER
PT S
AU van der Laan, JD
Scrymgeour, DA
Kemme, SA
Dereniak, EL
AF van der Laan, J. D.
Scrymgeour, D. A.
Kemme, S. A.
Dereniak, E. L.
BE Chenault, DB
Goldstein, DH
TI Increasing Detection Range and Minimizing Polarization Mixing with
Circularly Polarized Light through Scattering Environments
SO POLARIZATION: MEASUREMENT, ANALYSIS, AND REMOTE SENSING XI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Polarization - Measurement, Analysis, and Remote Sensing
XI
CY MAY 05-06, 2014
CL Baltimore, MD
SP SPIE
DE Circular polarization; polarization; scattering; polarization mixing;
Mie Theory; Monte Carlo; fog
ID TARGET DETECTION; MEDIA; BACKSCATTERING; WAVES
AB We present both simulation and experimental results showing that circularly polarized light maintains its degree of polarization better than linearly polarized light in scattering environments. This is specifically true in turbid environments like fog and clouds. In contrast to previous studies that propagate single wavelengths through broad particle-size distributions, this work identifies regions where circular polarization persists further than linear by systematically surveying different wavelengths through monodisperse particle diameters. For monodisperse polystyrene microspheres in water, for particle diameters of 0.99 and 1.925 microns and varying optical depths, we show that circular polarization's ability to persist through multiple scattering events is enhanced by as much as a factor of four, when compared to that of linear polarization. These particle diameters correspond to size parameters found for infrared wavelengths and marine and continental fog particle distributions. The experimental results are compared to Monte Carlo simulations for all scattering environments investigated.
C1 [van der Laan, J. D.; Dereniak, E. L.] Univ Arizona, Coll Opt Sci, 1640 E Univ Blvd, Tucson, AZ 85721 USA.
[Scrymgeour, D. A.; Kemme, S. A.] Sandia Natl Labs, Albuquerque, NM 87123 USA.
RP van der Laan, JD (reprint author), Univ Arizona, Coll Opt Sci, 1640 E Univ Blvd, Tucson, AZ 85721 USA.
EM jdvander@optics.arizona.edu
RI Scrymgeour, David/C-1981-2008
FU U. S. Department of Energy's National Nuclear Security Administration
[DE- AC04- 94AL85000]
FX Sandia National Laboratories is a multi- program laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U. S. Department of Energy's National
Nuclear Security Administration under contract DE- AC04- 94AL85000.
NR 10
TC 4
Z9 4
U1 0
U2 2
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-036-5
J9 PROC SPIE
PY 2014
VL 9099
AR UNSP 909908
DI 10.1117/12.2050375
PG 8
WC Remote Sensing; Optics
SC Remote Sensing; Optics
GA BB6TX
UT WOS:000345017900006
ER
PT S
AU Wang, YF
Kudenov, MW
Craven-Jones, J
AF Wang, Yifan
Kudenov, Michael W.
Craven-Jones, Julia
BE Chenault, DB
Goldstein, DH
TI Phase error in Fourier transform spectrometers employing polarization
interferometers
SO POLARIZATION: MEASUREMENT, ANALYSIS, AND REMOTE SENSING XI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Polarization - Measurement, Analysis, and Remote Sensing
XI
CY MAY 05-06, 2014
CL Baltimore, MD
SP SPIE
DE Birefringence; polarization; phase error; Fourier transform spectroscopy
AB Phase error is common in reflective interferometers, such as the Michelson. This yields highly asymmetric interferograms that complicate the post-processing of single-sided interference data. Common methods of compensating for phase errors include the Mertz, Forman, and Connes phase correction techniques. However, birefringent interferometers often have highly symmetric interferograms; thus, compensating for phase errors may represent an unnecessary and/or detrimental step in post processing. In this paper, an analysis of the phase error generated by the Infrared Hyperspectral Imaging Polarimeter (IHIP) is conducted. First, a model of the IHIP is presented that quantifies the phase error in the system. The error associated with calculating spectra from single-sided interferograms, using Mertz phase correction and simple single-sided to double-sided mirroring, is then investigated and compared to "true" double-sided Connes phase corrected spectra. These error calculations are set within the context of measurements taken from a Michelson interferometer-based Fourier transform spectrometer. Results demonstrate that the phase error of the IHIP is comparatively small and that Mertz phase correction may not be necessary to minimize error in the spectral calculation.
C1 [Wang, Yifan; Kudenov, Michael W.] North Carolina State Univ, Dept Elect & Comp Engn, 2410 Campus Shore Dr, Raleigh, NC 27606 USA.
[Craven-Jones, Julia] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Kudenov, MW (reprint author), North Carolina State Univ, Dept Elect & Comp Engn, 2410 Campus Shore Dr, Raleigh, NC 27606 USA.
EM mwkudeno@ncsu.edu
FU NNSA/ NA221 DNN R D; Victoria Franques; Program Manager; U. S.
Department of Energy's National Nuclear Security Administration [DE-
AC04- 94AL85000]; SAND [2014- 3675C]
FX This work was funded in part by NNSA/ NA221 DNN R& D, Victoria Franques,
Program Manager. 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. SAND # 2014- 3675C.
NR 11
TC 0
Z9 0
U1 3
U2 4
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-036-5
J9 PROC SPIE
PY 2014
VL 9099
AR UNSP 90990K
DI 10.1117/12.2051037
PG 8
WC Remote Sensing; Optics
SC Remote Sensing; Optics
GA BB6TX
UT WOS:000345017900015
ER
PT S
AU Humble, TS
AF Humble, Travis S.
BE Meyers, RE
Shih, Y
Deacon, KS
TI Quantum Statistical Testing of a Quantum Random Number Generator
SO QUANTUM COMMUNICATIONS AND QUANTUM IMAGING XII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Quantum Communications and Quantum Imaging XII
CY AUG 18-21, 2014
CL San Diego, CA
SP SPIE
DE quantum random number generator; quantum engineering; statistical
testing
AB The unobservable elements in a quantum technology, e.g., the quantum state, complicate system verification against promised behavior. Using model-based system engineering, we present methods for verifying the operation of a prototypical quantum random number generator. We begin with the algorithmic design of the QRNG followed by the synthesis of its physical design requirements. We next discuss how quantum statistical testing can be used to verify device behavior as well as detect device bias. We conclude by highlighting how system design and verification methods must influence effort to certify future quantum technologies.
C1 Oak Ridge Natl Lab, Quantum Comp Inst, Oak Ridge, TN 37831 USA.
RP Humble, TS (reprint author), Oak Ridge Natl Lab, Quantum Comp Inst, Oak Ridge, TN 37831 USA.
EM humblets@ornl.gov
NR 0
TC 0
Z9 0
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-252-9
J9 PROC SPIE
PY 2014
VL 9225
AR 922509
DI 10.1117/12.2060846
PG 9
WC Optics; Imaging Science & Photographic Technology
SC Optics; Imaging Science & Photographic Technology
GA BB6UC
UT WOS:000345025700007
ER
PT B
AU Nguyen, TB
Pai, MA
AF Nguyen, Tony B.
Pai, M. A.
BE Savulescu, SC
TI Trajectory Sensitivity Analysis for Dynamic Security Assessment and
Other Applications in Power Systems
SO REAL-TIME STABILITY IN POWER SYSTEMS: TECHNIQUES FOR EARLY DETECTION OF
THE RISK OF BLACKOUT, 2ND EDITION
SE Power Electronics and Power Systems
LA English
DT Article; Book Chapter
ID TRANSIENT STABILITY; FLOW
AB Real-time stability evaluation and preventive scheduling in power systems offer many challenges in a stressed power system. Trajectory Sensitivity Analysis (TSA) is a useful tool for this and other applications in the emerging smart grid area. In this chapter, we outline the basic approach of TSA, to extract suitable information from the data and develop reliable metrics or indices to evaluate proximity of the system to an unstable condition. Trajectory sensitivities can be used to compute critical parameters such as clearing time of circuit breakers, tie-line flow, etc. in a power system by developing suitable norms for ease of interpretation. The TSA technique has the advantage that model complexity is not a limitation, and the sensitivities can be computed numerically. Suitable metrics are developed from these sensitivities. The TSA technique can be extended to do preventive rescheduling. A brief discussion of other applications of TSA in placement of distributed generation is indicated.
C1 [Nguyen, Tony B.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Pai, M. A.] Univ Illinois, Champaign, IL USA.
RP Nguyen, TB (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM Tony.Nguyen@pnnl.gov
NR 43
TC 1
Z9 1
U1 0
U2 0
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
BN 978-3-319-06680-6; 978-3-319-06679-0
J9 POWER ELECTRON POWER
PY 2014
BP 335
EP 366
DI 10.1007/978-3-319-06680-6_11
D2 10.1007/978-3-319-06680-6
PG 32
WC Energy & Fuels; Engineering, Electrical & Electronic
SC Energy & Fuels; Engineering
GA BB6GE
UT WOS:000344752800014
ER
PT S
AU Zhong, JL
Wasson, T
Hartemink, AJ
AF Zhong, Jianling
Wasson, Todd
Hartemink, Alexander J.
BE Sharan, R
TI Learning Protein-DNA Interaction Landscapes by Integrating Experimental
Data through Computational Models
SO RESEARCH IN COMPUTATIONAL MOLECULAR BIOLOGY, RECOMB2014
SE Lecture Notes in Bioinformatics
LA English
DT Proceedings Paper
CT 18th Annual International Conference on Research in Computational
Molecular Biology (RECOMB)
CY APR 02-05, 2014
CL Carnegie Mellon Univ, Pittsburgh, PA
SP Univ Pittsburgh, Dept Computat & Syst Biol, Int Soc Computat Biol, US Natl Sci Fdn, Biomed Cent GigaScience, Carnegie Mellons Lane Ctr Computat Biol
HO Carnegie Mellon Univ
DE protein-DNA interaction landscape; thermodynamic modeling; genomic data
integration; competitive binding; COMPETE
ID TRANSCRIPTION-FACTOR-BINDING; GENOME; YEAST; SPECIFICITY; RESOLUTION;
EXPRESSION; SEQUENCE
AB Transcriptional regulation is directly enacted by the interactions between DNA and many proteins, including transcription factors, nucleosomes, and polymerases. A critical step in deciphering transcriptional regulation is to infer, and eventually predict, the precise locations of these interactions, along with their strength and frequency. While recent datasets yield great insight into these interactions, individual data sources often provide only noisy information regarding one specific aspect of the complete interaction landscape. For example, chromatin immunoprecipitation (ChIP) reveals the precise binding positions of a protein, but only for one protein at a time. In contrast, nucleases like MNase and DNase reveal binding positions for many different proteins at once, but cannot easily determine the identities of those proteins. Here, we develop a novel statistical framework that integrates different sources of experimental information within a thermodynamic model of competitive binding to jointly learn a holistic view of the in vivo protein-DNA interaction landscape. We show that our framework learns an interaction landscape with increased accuracy, explaining multiple sets of data in accordance with thermodynamic principles of competitive DNA binding. The resulting model of genomic occupancy provides a precise, mechanistic vantage point from which to explore the role of protein-DNA interactions in transcriptional regulation.
C1 [Zhong, Jianling; Hartemink, Alexander J.] Duke Univ, Durham, NC 27708 USA.
[Wasson, Todd] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Hartemink, Alexander J.] Duke Univ, Dept Comp Sci, Durham, NC 27708 USA.
RP Hartemink, AJ (reprint author), Duke Univ, Durham, NC 27708 USA.
EM zhong@cs.duke.edu; amink@cs.duke.edu
NR 27
TC 0
Z9 0
U1 1
U2 1
PU SPRINGER INT PUBLISHING AG
PI CHAM
PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND
SN 0302-9743
BN 978-3-319-05269-4; 978-3-319-05268-7
J9 LECT N BIOINFORMAT
JI Lect. Notes Bioinforma.
PY 2014
VL 8394
BP 433
EP 447
PG 15
WC Biochemical Research Methods; Computer Science, Information Systems;
Mathematical & Computational Biology
SC Biochemistry & Molecular Biology; Computer Science; Mathematical &
Computational Biology
GA BB6XX
UT WOS:000345119100034
ER
PT J
AU Draz, MS
Fang, BA
Zhang, PF
Hu, Z
Gu, SD
Weng, KC
Gray, JW
Chen, FF
AF Draz, Mohamed Shehata
Fang, Binbin Amanda
Zhang, Pengfei
Hu, Zhi
Gu, Shenda
Weng, Kevin C.
Gray, Joe W.
Chen, Fanqing Frank
TI Nanoparticle-Mediated Systemic Delivery of siRNA for Treatment of
Cancers and Viral Infections
SO THERANOSTICS
LA English
DT Review
DE Small interfering RNA; Nanoparticle; RNA interference; Delivery; Cancer;
Virus
ID SMALL INTERFERING RNA; MESOPOROUS SILICA NANOPARTICLES; OVERCOME
DRUG-RESISTANCE; DOUBLE-STRANDED-RNA; IN-VIVO DELIVERY; CARBON
NANOTUBES; GENE DELIVERY; INTRACELLULAR DELIVERY; GOLD NANOPARTICLES;
TARGETED DELIVERY
AB RNA interference (RNAi) is an endogenous post-transcriptional gene regulatory mechanism, where non-coding, double-stranded RNA molecules interfere with the expression of certain genes in order to silence it. Since its discovery, this phenomenon has evolved as powerful technology to diagnose and treat diseases at cellular and molecular levels. With a lot of attention, short interfering RNA (siRNA) therapeutics has brought a great hope for treatment of various undruggable diseases, including genetic diseases, cancer, and resistant viral infections. However, the challenge of their systemic delivery and on how they are integrated to exhibit the desired properties and functions remains a key bottleneck for realizing its full potential. Nanoparticles are currently well known to exhibit a number of unique properties that could be strategically tailored into new advanced siRNA delivery systems. This review summarizes the various nanoparticulate systems developed so far in the literature for systemic delivery of siRNA, which include silica and silicon-based nanoparticles, metal and metal oxides nanoparticles, carbon nanotubes, graphene, dendrimers, polymers, cyclodextrins, lipids, hydrogels, and semiconductor nanocrystals. Challenges and barriers to the delivery of siRNA and the role of different nanoparticles to surmount these challenges are also included in the review.
C1 [Draz, Mohamed Shehata; Chen, Fanqing Frank] Zhejiang Univ, Zhejiang Calif Int Nanosyst Inst, Hangzhou 310029, Zhejiang, Peoples R China.
[Draz, Mohamed Shehata] Tanta Univ, Fac Sci, Tanta 31527, Egypt.
[Fang, Binbin Amanda; Chen, Fanqing Frank] Fudan Univ, Life Sci Coll, Shanghai 200433, Peoples R China.
[Fang, Binbin Amanda; Gray, Joe W.; Chen, Fanqing Frank] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94127 USA.
[Zhang, Pengfei] Second Mil Med Univ, Changzheng Hosp, Translat Med Ctr, Shanghai 200433, Peoples R China.
[Hu, Zhi; Gu, Shenda; Gray, Joe W.] Oregon Hlth & Sci Univ, Ctr Spatial Syst Biomed, Portland, OR 97239 USA.
RP Chen, FF (reprint author), Zhejiang Univ, Zhejiang Calif Int Nanosyst Inst, Hangzhou 310029, Zhejiang, Peoples R China.
EM f_chen@lbl.gov
OI Gu, Shenda/0000-0003-2271-0524
NR 206
TC 47
Z9 48
U1 15
U2 90
PU IVYSPRING INT PUBL
PI LAKE HAVEN
PA PO BOX 4546, LAKE HAVEN, NSW 2263, AUSTRALIA
SN 1838-7640
J9 THERANOSTICS
JI Theranostics
PY 2014
VL 4
IS 9
BP 872
EP 892
DI 10.7150/thno.9404
PG 21
WC Medicine, Research & Experimental
SC Research & Experimental Medicine
GA AT8YH
UT WOS:000345214400002
PM 25057313
ER
PT B
AU Krtolica, A
AF Krtolica, Ana
BE Hayat, MA
TI Role of Microenvironment in Regulating Stem Cell and Tumor Initiating
Cancer Cell Behavior and Its Potential Therapeutic Implications
SO TUMOR DORMANCY, QUIESCENCE, AND SENESCENCE, VOL 2: AGING, CANCER, AND
NONCANCER PATHOLOGIES
LA English
DT Article; Book Chapter
DE Antigen-processing machinery (APM); Cancer stem cells (CSC); Epidermal
stem cell niche; Hypoxia; Immunosurveillance and anti-cancer therapy;
Major histocompatibility complex (MHC); Mammalian target of rapamycin
(mTOR); Mesenchymal stem cells (MSC); Mouse mammary tumor virus (MMTV)
promoter; T cell receptors (TCR)
ID EPITHELIAL-MESENCHYMAL TRANSITION; ACUTE MYELOID-LEUKEMIA; T-CELLS;
ANTITUMOR IMMUNITY; CD200 EXPRESSION; IN-VIVO; DIFFERENTIATION;
FIBROBLASTS; GROWTH; PROTEINS
AB Microenvironment plays a key role in controlling stem cell fate and thereby regulating tissue homeostasis and repair. It consists of acellular and cellular components that interact with stem cells and their progenitors and through signaling cascades influence balance between self-renewal, differentiation and dormancy. Under pathological conditions, disruptions in microenvironment can generate signals that stimulate untimely or aberrant stem cell differentiation or self-renewal, or activate de-differentiation of progenitor cells, leading to diseased states such as cancer. However, while unaltered microenvironment can restrain transformed cell behavior inhibiting malignant phenotypes, transformed cancer cells that exhibit resistance to conventional therapies and tumor initiating capacity are capable of inducing more permissive and immunotolerant microenvironment that promotes tumor growth and metastasis. Better understanding of their behavior and interactions with microenvironment opens up novel avenues for devising more efficacious cancer therapies.
C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
RP Krtolica, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
EM akrtolica@sllsciences.com
NR 62
TC 0
Z9 0
U1 0
U2 1
PU SPRINGER
PI DORDRECHT
PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS
BN 978-94-007-7726-2; 978-94-007-7725-5
PY 2014
BP 301
EP 312
DI 10.1007/978-94-007-7726-2_28
D2 10.1007/978-94-007-7726-2
PG 12
WC Oncology; Pathology
SC Oncology; Pathology
GA BB6PY
UT WOS:000344927800030
ER
PT S
AU Marathe, S
Shi, XB
Khounsary, AM
Wojcik, MJ
Kujala, NG
Macrander, AT
Assoufid, L
AF Marathe, Shashidhara
Shi, Xianbo
Khounsary, Ali M.
Wojcik, Michael J.
Kujala, Naresh G.
Macrander, Albert T.
Assoufid, Lahsen
BE ODell, SL
Khounsary, AM
TI Development of single grating x-ray Talbot interferometer as a feedback
loop sensor element of an adaptive x-ray mirror system
SO ADAPTIVE X-RAY OPTICS III
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Adaptive X-Ray Optics III as part of the SPIE Optics +
Photonics International Symposium on Optical Engineering + Applications
CY AUG 17, 2014
CL San Diego, CA
SP SPIE
DE x-ray grating interferometer; wavefront-sensing; adaptive optics; x-ray
metrology
AB The initial result of using a single 2-D checkerboard phase-grating Talbot interferometer as a feed-back loop sensor element of an adaptive x-ray mirror system is reported. The test was performed by measuring the surface profile of a deformable Pt coated Silicon mirror at five different actuation states. The reflected beam was detected at the fractional Talbot distance of a pi/2 phase grating. The measured interferograms were de-convolved using the spatial harmonic imaging technique to extract the phase and amplitude of the reflected wavefront. The wavefront was then propagated to the mirror center to retrieve the surface profile of the mirror. The activation of a single actuator was easily detected from the reconstructed surface profile of the mirror. The presented results indicate that the single phase-grating x-ray Talbot interferometer is capable of sensing nano-meter scale profile changes of an adaptive mirror.
C1 [Marathe, Shashidhara; Shi, Xianbo; Wojcik, Michael J.; Kujala, Naresh G.; Macrander, Albert T.; Assoufid, Lahsen] Argonne Natl Lab, Adv Photon Source, Lemont, IL 60439 USA.
RP Marathe, S (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Lemont, IL 60439 USA.
NR 13
TC 2
Z9 2
U1 0
U2 4
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-235-2
J9 PROC SPIE
PY 2014
VL 9208
AR 92080D
DI 10.1117/12.2062460
PG 7
WC Optics; Physics, Applied
SC Optics; Physics
GA BB6BH
UT WOS:000344601900011
ER
PT S
AU Poyneer, LA
Pardini, T
McCarville, T
Palmer, D
Brooks, A
AF Poyneer, Lisa A.
Pardini, Tommaso
McCarville, Thomas
Palmer, David
Brooks, Audrey
BE ODell, SL
Khounsary, AM
TI Control of a 45-cm long x-ray deformable mirror with either external or
internal metrology
SO ADAPTIVE X-RAY OPTICS III
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Adaptive X-Ray Optics III as part of the SPIE Optics +
Photonics International Symposium on Optical Engineering + Applications
CY AUG 17, 2014
CL San Diego, CA
SP SPIE
DE Adaptive Optics
AB Our 45-cm long x-ray deformable mirror has 45 actuators along the tangential axis, along with one strain gauge per actuator and eight temperature sensors. We discuss the detailed calibration of the mirror's figure response to voltage (fourth-order) and the strain gauges' response to figure changes (linear). The mirror's cylinder shape changes with temperature, which can be tracked with the temperature sensors. We present initial results of measuring figure change with the strain gauges, which works very well for large changes (> 10 nm peak-to-valley), but is noisy with a single strain reading for small changes (5 nm peak-to-valley).
C1 [Poyneer, Lisa A.; Pardini, Tommaso; McCarville, Thomas; Palmer, David] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Poyneer, LA (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA.
EM poyneer1@llnl.gov
NR 5
TC 3
Z9 3
U1 1
U2 4
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-235-2
J9 PROC SPIE
PY 2014
VL 9208
AR 92080F
DI 10.1117/12.2062072
PG 11
WC Optics; Physics, Applied
SC Optics; Physics
GA BB6BH
UT WOS:000344601900013
ER
PT J
AU Kassianov, E
Barnard, J
Pekour, M
Berg, LK
Shilling, J
Flynn, C
Mei, F
Jefferson, A
AF Kassianov, E.
Barnard, J.
Pekour, M.
Berg, L. K.
Shilling, J.
Flynn, C.
Mei, F.
Jefferson, A.
TI Simultaneous retrieval of effective refractive index and density from
size distribution and light-scattering data: weakly absorbing aerosol
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID OPTICAL-PROPERTIES; ABSORPTION; NEPHELOMETER; MOBILITY; CLOSURE;
COEFFICIENTS; SENSITIVITY; PARTICLES; HUMIDITY; CAMPAIGN
AB We propose here a novel approach for retrieving in parallel the effective density and real refractive index of weakly absorbing aerosol from optical and size distribution measurements. Here we define "weakly absorbing" as aerosol single-scattering albedos that exceed 0.95 at 0.5 mu m. The required optical measurements are the scattering coefficient and the hemispheric backscatter fraction, obtained in this work from an integrating nephelometer. The required size spectra come from mobility and aerodynamic particle size spectrometers commonly referred to as a scanning mobility particle sizer and an aerodynamic particle sizer. The performance of this approach is first evaluated using a sensitivity study with synthetically generated but measurement-related inputs. The sensitivity study reveals that the proposed approach is robust to random noise; additionally the uncertainties of the retrieval are almost linearly proportional to the measurement errors, and these uncertainties are smaller for the real refractive index than for the effective density. Next, actual measurements are used to evaluate our approach. These measurements include the optical, microphysical, and chemical properties of weakly absorbing aerosol which are representative of a variety of coastal summertime conditions observed during the Two-Column Aerosol Project (TCAP; http://campaign.arm.gov/tcap/). The evaluation includes calculating the root mean square error (RMSE) between the aerosol characteristics retrieved by our approach, and the same quantities calculated using the conventional volume mixing rule for chemical constituents. For dry conditions (defined in this work as relative humidity less than 55 %) and sub-micron particles, a very good (RMSE similar to 3 %) and reasonable (RMSE similar to 28 %) agreement is obtained for the retrieved real refractive index (1.49 +/- 0.02) and effective density (1.68 +/- 0.21), respectively. Our approach permits discrimination between the retrieved aerosol characteristics of sub-micron and sub-10-micron particles. The evaluation results also reveal that the retrieved density and refractive index tend to decrease with an increase of the relative humidity.
C1 [Kassianov, E.; Barnard, J.; Pekour, M.; Berg, L. K.; Shilling, J.; Flynn, C.; Mei, F.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Jefferson, A.] Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80305 USA.
RP Kassianov, E (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM evgueni.kassianov@pnnl.gov
RI Shilling, John/L-6998-2015; Berg, Larry/A-7468-2016
OI Shilling, John/0000-0002-3728-0195; Berg, Larry/0000-0002-3362-9492
FU Office of Biological and Environmental Research (OBER) of the US
Department of Energy (DOE); DOE [DE-A06-76RLO 1830]
FX This work has been supported by the Office of Biological and
Environmental Research (OBER) of the US Department of Energy (DOE) as
part of the Atmospheric Radiation Measurement (ARM) and Atmospheric
System Research (ASR) programs. The Pacific Northwest National
Laboratory (PNNL) is operated by Battelle for the DOE under contract
DE-A06-76RLO 1830. We are grateful to Prof. Wiedensohler and two
anonymous reviewers for their thoughtful comments that helped improve
our paper.
NR 39
TC 4
Z9 4
U1 1
U2 18
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1867-1381
EI 1867-8548
J9 ATMOS MEAS TECH
JI Atmos. Meas. Tech.
PY 2014
VL 7
IS 10
BP 3247
EP 3261
DI 10.5194/amt-7-3247-2014
PG 15
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AT2AE
UT WOS:000344732200002
ER
PT J
AU Muller, D
Hostetler, CA
Ferrare, RA
Burton, SP
Chemyakin, E
Kolgotin, A
Hair, JW
Cook, AL
Harper, DB
Rogers, RR
Hare, RW
Cleckner, CS
Obland, MD
Tomlinson, J
Berg, LK
Schmid, B
AF Mueller, D.
Hostetler, C. A.
Ferrare, R. A.
Burton, S. P.
Chemyakin, E.
Kolgotin, A.
Hair, J. W.
Cook, A. L.
Harper, D. B.
Rogers, R. R.
Hare, R. W.
Cleckner, C. S.
Obland, M. D.
Tomlinson, J.
Berg, L. K.
Schmid, B.
TI Airborne Multiwavelength High Spectral Resolution Lidar (HSRL-2)
observations during TCAP 2012: vertical profiles of optical and
microphysical properties of a smoke/urban haze plume over the
northeastern coast of the US
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID PRINCIPAL COMPONENT ANALYSIS; DISPERSION MODEL FLEXPART; RAMAN-LIDAR;
TROPOSPHERIC AEROSOL; PARTICLE PARAMETERS; ASIAN DUST; BACKSCATTER;
EXTINCTION; RETRIEVAL; REGULARIZATION
AB We present measurements acquired by the world's first airborne 3 backscatter (beta)+ 2 extinction (alpha) High Spectral Resolution Lidar (HSRL-2). HSRL-2 measures particle backscatter coefficients at 355, 532, and 1064 nm, and particle extinction coefficients at 355 and 532 nm. The instrument has been developed by the NASA Langley Research Center. The instrument was operated during Phase 1 of the Department of Energy (DOE) Two-Column Aerosol Project (TCAP) in July 2012. We observed pollution outflow from the northeastern coast of the US out over the western Atlantic Ocean. Lidar ratios were 50-60 sr at 355 nm and 6070 sr at 532 nm. Extinction-related Angstrom exponents were on average 1.2-1.7, indicating comparably small particles. Our novel automated, unsupervised data inversion algorithm retrieved particle effective radii of approximately 0.2 mu m, which is in agreement with the large Angstrom exponents. We find good agreement with particle size parameters obtained from coincident in situ measurements carried out with the DOE Gulfstream-1 aircraft.
C1 [Mueller, D.] Univ Hertfordshire, Hatfield AL10 9AB, Herts, England.
[Mueller, D.; Chemyakin, E.] NASA, Sci Syst & Applicat Inc, Langley Res Ctr, Hampton, VA USA.
[Hostetler, C. A.; Ferrare, R. A.; Burton, S. P.; Hair, J. W.; Cook, A. L.; Harper, D. B.; Rogers, R. R.; Hare, R. W.; Cleckner, C. S.; Obland, M. D.] NASA, Langley Res Ctr, Hampton, VA 23665 USA.
[Kolgotin, A.] Phys Instrumentat Ctr, Troitsk, Russia.
[Tomlinson, J.; Berg, L. K.; Schmid, B.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Muller, D (reprint author), Univ Hertfordshire, Hatfield AL10 9AB, Herts, England.
EM d.mueller@herts.ac.uk
RI MUELLER, DETLEF/F-1010-2015; Berg, Larry/A-7468-2016
OI MUELLER, DETLEF/0000-0002-0203-7654; Berg, Larry/0000-0002-3362-9492
FU DOE ARM [DE-SC0006730]
FX The authors thank the NASA Langley B-200 King Air flight crew or their
outstanding work and support during the research flights. Support for
the HSRL-2 flight operations during TCAP was provided by the DOE ARM
program: Interagency Agreement DE-SC0006730. Support for data analysis
was provided in part by the DOE Atmospheric System Research (ASR)
program. Support for the development of HSRL-2 was provided by the NASA
Science Mission Directorate, ESTO, AITT, and Radiation Science Program.
We thank C. Flynn, R. Wagener, L. Gregory, and P. Russell at the
Barnstable AERONET station for providing data. The AERONET data at MVCO
are provided by H. Feng and H. M. Sosik.
NR 37
TC 21
Z9 21
U1 1
U2 13
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1867-1381
EI 1867-8548
J9 ATMOS MEAS TECH
JI Atmos. Meas. Tech.
PY 2014
VL 7
IS 10
BP 3487
EP 3496
DI 10.5194/amt-7-3487-2014
PG 10
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AT2AE
UT WOS:000344732200017
ER
PT J
AU Polini, A
Wang, JL
Bai, H
Zhu, Y
Tomsia, AP
Mao, CB
AF Polini, Alessandro
Wang, Jianglin
Bai, Hao
Zhu, Ye
Tomsia, Antoni P.
Mao, Chuanbin
TI Stable biofunctionalization of hydroxyapatite (HA) surfaces by
HA-binding/osteogenic modular peptides for inducing osteogenic
differentiation of mesenchymal stem cells
SO BIOMATERIALS SCIENCE
LA English
DT Article
ID BONE-TISSUE; BIOLOGICAL NANOFIBERS; GROWTH; FATE; MINERALIZATION;
ENHANCEMENT; COMPOSITES; COMMITMENT; NUCLEATION; CHEMISTRY
AB Hydroxyapatite (HA), the principal component of bone mineral, shows osteoconductive properties when employed for coating metal implants as well as scaffold materials in synthetic bone grafts. With the goal of providing this material with osteoinductive capabilities to promote faster bone regeneration, we show an easy approach to functionalize HA implant surfaces and enrich them with osteoinductive properties by the use of HA-binding modular peptides. The modular peptides are designed as a combination of two domains, an HA-binding peptide motif and an osteogenic peptide motif derived from the osteogenic growth peptide (OGP) or bone morphometric protein 7 (BMP-7). To identify the best HA-binding peptide, several nature-inspired peptides derived from natural bone extracellular matrix proteins (bone sialoprotein, osteonectin, osteocalcin, and salivarin statherin) were compared for HA-binding activity, revealing concentration-dependent and incubation-time-dependent behaviours. We discovered that a Poly-E heptamer (E7) is the best HA-binding peptide, and thus combined it with a second osteogenic peptidic domain to create an osteoinductive modular peptide. After binding/release characterization, we found that the addition of the second osteogenic peptide domain did not change the binding profile of the modular peptides and caused only a slight change in their release kinetics. Mesenchymal stem cells (MSCs) were cultured on the HA substrates functionalized with modular peptides, and cell adhesion, proliferation, and differentiation in a basal medium (i.e., without any osteogenic supplements) were investigated. Gene expression data clearly showed that MSCs were committed to differentiate into osteoblasts in the presence of the modular peptides. HA discs functionalized with the E7 BMP-7 modular peptide showed the best capability in inducing the osteogenic differentiation of MSCs among all modular peptides studied. The modular peptides can easily be used to functionalize the HA implants through its constituent HA-binding motif, leaving the osteogenic peptide motif protruding from the surface for inducing osteogenesis. Our work opens up a new approach to the formulation of new bioactive HA coatings and implants for bone and dental repair.
C1 [Polini, Alessandro; Bai, Hao; Tomsia, Antoni P.; Mao, Chuanbin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Wang, Jianglin; Zhu, Ye; Mao, Chuanbin] Univ Oklahoma, Stephenson Life Sci Res Ctr, Dept Chem & Biochem, Norman, OK 73019 USA.
RP Polini, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
EM alessandro.polini@radboudumc.nl; cbmao@ou.edu
RI Polini, Alessandro/A-2077-2012; WANG, JIANGLIN/L-5155-2015; Foundry,
Molecular/G-9968-2014; Bai, Hao/J-5255-2012; Bai, Hao/D-1713-2017;
OI Polini, Alessandro/0000-0002-3188-983X; Bai, Hao/0000-0002-1707-4976;
Bai, Hao/0000-0002-3348-6129; Mao, Chuanbin/0000-0002-8142-3659
FU National Institutes of Health/National Institute of Dental and
Craniofacial Research (NIH/ NIDCR) [1R01DE015633]; Office of Science,
Office of Basic Energy Sciences, of the U. S. Department of Energy
[DE-AC02-05CH11231]; National Science Foundation [CMMI- 1234957,
CBET-0854414, CBET-0854465, 1R21EB015190]; National Institutes of Health
[1R21EB015190, 5R01HL092526]; Department of Defense Peer Reviewed
Medical Research Program [W81XWH-12-1-0384]; Oklahoma Center for the
Advancement of Science and Technology [070014, HR11-006]; Oklahoma
Center for Adult Stem Cell Research [434003]
FX This work was supported by the National Institutes of Health/National
Institute of Dental and Craniofacial Research (NIH/NIDCR) grant no.
1R01DE015633. Binding/release tests were partially performed at the
Molecular Foundry and supported by the Office of Science, Office of
Basic Energy Sciences, of the U.S. Department of Energy under contract
no. DE-AC02-05CH11231. A.P. gratefully acknowledges Dr Ronald Zuckerman
and his research group for their helpful suggestions and discussions.
J.W., Y.Z., and C.M. would like to thank the financial support from the
National Science Foundation (CMMI-1234957, CBET-0854414, CBET-0854465,
and DMR-0847758), the National Institutes of Health (5R01HL092526 and
1R21EB015190), the Department of Defense Peer Reviewed Medical Research
Program (W81XWH-12-1-0384), the Oklahoma Center for the Advancement of
Science and Technology (070014 and HR11-006) and the Oklahoma Center for
Adult Stem Cell Research (434003).
NR 44
TC 9
Z9 9
U1 12
U2 34
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2047-4830
EI 2047-4849
J9 BIOMATER SCI-UK
JI Biomater. Sci.
PY 2014
VL 2
IS 12
BP 1779
EP 1786
DI 10.1039/c4bm00164h
PG 8
WC Materials Science, Biomaterials
SC Materials Science
GA AS8WC
UT WOS:000344524900007
PM 25642327
ER
PT S
AU Omberg, KM
AF Omberg, Kristin M.
BE Cheng, HN
Shah, S
Wu, ML
TI Career Opportunities in the Government Sector
SO CAREERS, ENTREPRENEURSHIP, AND DIVERSITY: CHALLENGES AND OPPORTUNITIES
IN THE GLOBAL CHEMISTRY ENTERPRISE
SE ACS Symposium Series
LA English
DT Proceedings Paper
CT 246th National Meeting of the American-Chemical-Society (ACS)
CY SEP 08-12, 2013
CL Indianapolis, IN
SP Amer Chem Soc
AB A 2010 survey of American Chemical Society (ACS) members indicated that nearly 10 percent were employed by federal, state or local government entities. ACS members work for a wide range of different government and government-affiliated organizations, including the United States Congress and the Congressional Research Service; the federal agencies; the National Academies of Science and Engineering, Institute of Medicine and National Research Council; and state and local government bodies including those concerned with environmental and public health. These ACS members live all over the United States, and perform a wide range of job functions, including policy analysis and program management; research and development; quality assurance and quality control functions; and sample analysis activities. This article presents a brief overview of opportunities available in the government sector, with links to additional information for those interested in more detail.
C1 [Omberg, Kristin M.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA.
EM komberg@lanl.gov
NR 0
TC 0
Z9 0
U1 1
U2 2
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-2970-9
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2014
VL 1169
BP 61
EP 67
PG 7
WC Business; Chemistry, Multidisciplinary; Education & Educational Research
SC Business & Economics; Chemistry; Education & Educational Research
GA BB6EF
UT WOS:000344714400005
ER
PT J
AU Childers, DJ
Schweitzer, NM
Shahri, SMK
Rioux, RM
Miller, JT
Meyer, RJ
AF Childers, David J.
Schweitzer, Neil M.
Shahri, Seyed Mehdi Kamali
Rioux, Robert M.
Miller, Jeffrey T.
Meyer, Randall J.
TI Evidence for geometric effects in neopentane conversion on PdAu
catalysts
SO CATALYSIS SCIENCE & TECHNOLOGY
LA English
DT Article
ID GOLD-PALLADIUM CATALYSTS; BIMETALLIC SURFACES; CARBON-MONOXIDE; CO
ADSORPTION; SELECTIVE HYDROGENATION; NANOPARTICLE CATALYSTS;
CHEMICAL-PROPERTIES; ULTRAHIGH-VACUUM; METAL-SURFACES; PARTICLE-SIZE
AB Silica-supported Pd and shell/core PdAu nanoparticles of a similar size were evaluated for neopentane conversion. Monometallic Pd exhibited poor neopentane isomerization selectivity in favor of high selectivity to primary and secondary hydrogenolysis products. Similarly sized PdAu catalysts of increasing Pd weight loading were synthesized to evaluate the effect of increasing Pd monolayers on neopentane conversion. All PdAu catalysts had neopentane conversion selectivity within the range of monometallic Pd catalysts from previous work (similar to 5-30%). However, there was an inverse relationship between Pd weight loading and neopentane isomerization selectivity. The increase in isomerization selectivity did not correlate to a decrease in heats of adsorption as seen with monometallic Pd catalysts, but was correlated with the catalyst surface structure which suggests a geometric effect as the cause for changes in catalytic performance rather than an electronic effect.
C1 [Childers, David J.; Meyer, Randall J.] Univ Illinois, Dept Chem Engn, Chicago, IL 60680 USA.
[Schweitzer, Neil M.] Northwestern Univ, Ctr Catalysis & Surface Sci, Evanston, IL 60208 USA.
[Shahri, Seyed Mehdi Kamali; Rioux, Robert M.] Penn State Univ, Dept Chem Engn, University Pk, PA 16802 USA.
[Miller, Jeffrey T.] Argonne Natl Lab, Div Chem Sci & Engn, Argonne, IL 60439 USA.
RP Childers, DJ (reprint author), Univ Illinois, Dept Chem Engn, Chicago, IL 60680 USA.
EM millerjt@anl.gov; rjm@uic.edu
FU Institute for Atom-Efficient Chemical Transformations (IACT), an Energy
Frontier Research Center - U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences; National Science Foundation [0747646];
Chemical Sciences and Engineering Division at Argonne National
Laboratory; Office of the Vice Chancellor for Research at the University
of Illinois at Chicago; Department of Energy, Office of Basic Energy
Sciences, Chemical Sciences, Geosciences, and Biosciences Division,
Catalysis Sciences Program [DE-FG02-12ER16364]; 3M Non-Tenured Faculty
Grant (NTFG); U.S. Department of Energy, Office of Science, Office of
Basic Energy Sciences [DE-AC02-06CH11357]; Department of Energy
[DE-AC02-06CH11357, DE-FG02-03ER15457]
FX JTM and NS were supported as part of the Institute for Atom-Efficient
Chemical Transformations (IACT), an Energy Frontier Research Center
funded by the U.S. Department of Energy, Office of Science, Office of
Basic Energy Sciences. R. J. M. and D. C. gratefully acknowledge funding
for this work from the National Science Foundation (CBET grant no.
0747646). Partial funding for DC was provided by the Chemical Sciences
and Engineering Division at Argonne National Laboratory and the Office
of the Vice Chancellor for Research at the University of Illinois at
Chicago. S. M. K. S. and R. M. R. acknowledge funding from the
Department of Energy, Office of Basic Energy Sciences, Chemical
Sciences, Geosciences, and Biosciences Division, Catalysis Sciences
Program under grant number DE-FG02-12ER16364. R. M. R. acknowledges
financial support provided through a 3M Non-Tenured Faculty Grant
(NTFG). The STEM work was performed at the UIC Research Resource Center.
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. MRCAT operations are supported by the
Department of Energy and the MRCAT member institutions. The CleanCat
Core facility acknowledges funding from the Department of Energy
(DE-FG02-03ER15457 and DE-AC02-06CH11357) used for the purchase of the
DRIFTS system and the AMI-200, respectively.
NR 65
TC 5
Z9 5
U1 8
U2 23
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 2014
VL 4
IS 12
BP 4366
EP 4377
DI 10.1039/c4cy00846d
PG 12
WC Chemistry, Physical
SC Chemistry
GA AS9ZU
UT WOS:000344597600028
ER
PT J
AU Gwozdzinska, P
Pawlowska, R
Milczarek, J
Garner, LE
Thomas, AW
Bazan, GC
Chworos, A
AF Gwozdzinska, Paulina
Pawlowska, Roza
Milczarek, Justyna
Garner, Logan E.
Thomas, Alexander W.
Bazan, Guillermo C.
Chworos, Arkadiusz
TI Phenylenevinylene conjugated oligoelectrolytes as fluorescent dyes for
mammalian cell imaging
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID THERANOSTIC NANOMEDICINE; VISUAL DETECTION; POLYELECTROLYTES;
NANOPARTICLES; CANCER; LIGHT; PH
AB Conjugated phenylenevinylene oligoelectrolytes, which consist of a phenylenevinylene core equipped at each end with hydrophilic pendent groups, are shown to be good candidates for mammalian cell membrane staining. When used in the micromolar concentration range, they express low to moderate cell toxicity for selected regular and cancerous cell lines as tested for adherent and suspension cells.
C1 [Gwozdzinska, Paulina; Pawlowska, Roza; Milczarek, Justyna; Chworos, Arkadiusz] Polish Acad Sci, Ctr Mol & Macromol Studies, PL-90363 Lodz, Poland.
[Garner, Logan E.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Thomas, Alexander W.; Bazan, Guillermo C.; Chworos, Arkadiusz] Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93106 USA.
RP Bazan, GC (reprint author), Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93106 USA.
EM bazan@chem.ucsb.edu; achworos@cbmm.lodz.pl
RI Bazan, Guillermo/B-7625-2014
FU National Science Centre in Poland [NCN-2012/05/B/ST5/00364]; Polish
Academy of Sciences; Institute for Collaborative Biotechnologies from
the U.S. Army Research Office [W911NF-09-0001]
FX This work was supported by the National Science Centre in Poland
(NCN-2012/05/B/ST5/00364) and state funds for Polish Academy of
Sciences. The work at UCSB was supported by the Institute for
Collaborative Biotechnologies through grant W911NF-09-0001 from the U.S.
Army Research Office.
NR 37
TC 8
Z9 8
U1 2
U2 26
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 2014
VL 50
IS 94
BP 14859
EP 14861
DI 10.1039/c4cc06478j
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA AS7UO
UT WOS:000344460300039
PM 25322778
ER
PT J
AU Szanyi, J
Kwak, JH
AF Szanyi, J.
Kwak, J. H.
TI N-15(2) formation and fast oxygen isotope exchange during pulsed
(NO)-N-15-O-18 exposure of MnOx/CeO2
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID SOOT OXIDATION; DIESEL SOOT; SIMULTANEOUS REMOVAL; MIXED OXIDES;
CATALYSTS; CEO2; NOX; COMBUSTION; ADSORPTION
AB Pulsing (15)N(18)Oonto an annealed 1% (MnOx)-O-16/(CeO2)-O-16 catalyst resulted in very fast oxygen isotope exchange and N-15(2) formation at 295 K. In the 1st (NO)-N-15-O-18 pulse, due to the presence of large number of surface oxygen defects, extensive (N2O)-N-15-O-18 and N-15(2) formations were observed. In subsequent pulses oxygen isotope exchange dominated as a result of highly labile oxygen in the oxide.
C1 Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA.
RP Szanyi, J (reprint author), Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA.
EM janos.szanyi@pnnl.gov
FU US Department of Energy (DOE), Office of Energy Efficiency and Renewable
Energy/Vehicle Technologies Program; DOE's Office of Biological and
Environmental Research
FX We gratefully acknowledge the US Department of Energy (DOE), Office of
Energy Efficiency and Renewable Energy/Vehicle Technologies Program for
the support of this work. The research described in this paper was
performed at 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 Pacific Northwest
National Laboratory (PNNL). PNNL is operated for the US DOE by Battelle.
NR 22
TC 3
Z9 3
U1 2
U2 14
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 2014
VL 50
IS 95
BP 14998
EP 15001
DI 10.1039/c4cc05427j
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA AS9ZL
UT WOS:000344596700019
PM 25327139
ER
PT J
AU Zhu, X
Tian, CC
Jin, T
Wang, JT
Mahurin, SM
Mei, WW
Xiong, Y
Hu, J
Feng, XL
Liu, HL
Dai, S
AF Zhu, Xiang
Tian, Chengcheng
Jin, Tian
Wang, Jitong
Mahurin, Shannon M.
Mei, Wenwen
Xiong, Yan
Hu, Jun
Feng, Xinliang
Liu, Honglai
Dai, Sheng
TI Thiazolothiazole-linked porous organic polymers
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID CARBON-DIOXIDE CAPTURE; MICROPOROUS POLYMERS; TRIAZINE FRAMEWORKS;
BUILDING-BLOCKS; CO2 ADSORPTION; GAS-STORAGE; SEPARATION; NETWORKS;
TEMPERATURE; DESIGN
AB Thiazolothiazole-linked porous organic polymers have been synthesized from a facile catalyst-free condensation reaction between aldehydes and dithiooxamide under solvothermal conditions. The resultant porous frameworks exhibit a highly selective uptake of CO2 over N-2 under ambient conditions.
C1 [Zhu, Xiang; Tian, Chengcheng; Jin, Tian; Wang, Jitong; Mei, Wenwen; Xiong, Yan; Hu, Jun; Liu, Honglai] E China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China.
[Zhu, Xiang; Tian, Chengcheng; Jin, Tian; Wang, Jitong; Mei, Wenwen; Xiong, Yan; Hu, Jun; Liu, Honglai] E China Univ Sci & Technol, Dept Chem, Shanghai 200237, Peoples R China.
[Mahurin, Shannon M.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Feng, Xinliang] Max Planck Inst Polymer Res, D-55128 Mainz, Germany.
RP Feng, XL (reprint author), Max Planck Inst Polymer Res, Ackermannweg 10, D-55128 Mainz, Germany.
EM feng@mpip-mainz.mpg.de; hlliu@ecust.edu.cn; dais@ornl.gov
RI Zhu, Xiang/P-6867-2014; Dai, Sheng/K-8411-2015
OI Zhu, Xiang/0000-0002-3973-4998; Dai, Sheng/0000-0002-8046-3931
FU National Basic Research Program of China [2013CB733501]; 111 Project of
China [B08021]; U.S. Department of Energy, Office of Science, Basic
Energy Sciences, Chemical Sciences, Geosciences, and the Biosciences
Division
FX XZ, JH and HLL thank the National Basic Research Program of China
(2013CB733501), the National Natural Science Foundation of China (No.
91334203 and 21176066), the 111 Project of China (No. B08021) and the
Fundamental Research Funds for the Central Universities of China. This
work (SM and SD) was supported by the U.S. Department of Energy, Office
of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and
the Biosciences Division.
NR 43
TC 11
Z9 11
U1 7
U2 123
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 2014
VL 50
IS 95
BP 15055
EP 15058
DI 10.1039/c4cc07255c
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA AS9ZL
UT WOS:000344596700034
PM 25329834
ER
PT J
AU Queen, WL
Hudson, MR
Bloch, ED
Mason, JA
Gonzalez, MI
Lee, JS
Gygi, D
Howe, JD
Lee, K
Darwish, TA
James, M
Peterson, VK
Teat, SJ
Smit, B
Neaton, JB
Long, JR
Brown, CM
AF Queen, Wendy L.
Hudson, Matthew R.
Bloch, Eric D.
Mason, Jarad A.
Gonzalez, Miguel I.
Lee, Jason S.
Gygi, David
Howe, Joshua D.
Lee, Kyuho
Darwish, Tamim A.
James, Michael
Peterson, Vanessa K.
Teat, Simon J.
Smit, Berend
Neaton, Jeffrey B.
Long, Jeffrey R.
Brown, Craig M.
TI Comprehensive study of carbon dioxide adsorption in the metal-organic
frameworks M-2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)
SO CHEMICAL SCIENCE
LA English
DT Article
ID IRON(II) COORDINATION SITES; WAALS DENSITY FUNCTIONALS; AUGMENTED-WAVE
METHOD; POWDER DIFFRACTOMETER; HYDROGEN ADSORPTION; FORCE-FIELDS;
LEWIS-ACID; CAPTURE; STORAGE; BINDING
AB Analysis of the CO2 adsorption properties of a well-known series of metal-organic frameworks M-2(dobdc) (dobdc(4-) = 2,5-dioxido-1,4-benzenedicarboxylate; M = Mg, Mn, Fe, Co, Ni, Cu, and Zn) is carried out in tandem with in situ structural studies to identify the host-guest interactions that lead to significant differences in isosteric heats of CO2 adsorption. Neutron and X-ray powder diffraction and single crystal X-ray diffraction experiments are used to unveil the site-specific binding properties of CO2 within many of these materials while systematically varying both the amount of CO2 and the temperature. Unlike previous studies, we show that CO2 adsorbed at the metal cations exhibits intramolecular angles with minimal deviations from 180 degrees, a finding that indicates a strongly electrostatic and physisorptive interaction with the framework surface and sheds more light on the ongoing discussion regarding whether CO2 adsorbs in a linear or nonlinear geometry. This has important implications for proposals that have been made to utilize these materials for the activation and chemical conversion of CO2. For the weaker CO2 adsorbents, significant elongation of the metal-O(CO2) distances are observed and diffraction experiments additionally reveal that secondary CO2 adsorption sites, while likely stabilized by the population of the primary adsorption sites, significantly contribute to adsorption behavior at ambient temperature. Density functional theory calculations including van der Waals dispersion quantitatively corroborate and rationalize observations regarding intramolecular CO2 angles and trends in relative geometric properties and heats of adsorption in the M-2(dobdc)-CO2 adducts.
C1 [Queen, Wendy L.; Lee, Jason S.; Howe, Joshua D.; Lee, Kyuho; Neaton, Jeffrey B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Hudson, Matthew R.; Brown, Craig M.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA.
[Bloch, Eric D.; Mason, Jarad A.; Gonzalez, Miguel I.; Gygi, David; Long, Jeffrey R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Lee, Jason S.; Howe, Joshua D.; Lee, Kyuho; Smit, Berend] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
[Darwish, Tamim A.; James, Michael] Australian Nucl Sci & Technol Org, Natl Deuterat Facil, Lucas Heights, Australia.
[James, Michael] Australian Synchrotron, Clayton, Vic 3168, Australia.
[Peterson, Vanessa K.] Australian Nucl Sci & Technol Org, Bragg Inst, Lucas Heights, NSW 2234, Australia.
[Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Smit, Berend] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Smit, Berend] Ecole Polytech Fed Lausanne, Dept Inst Sci & Ingn Chim, CH-1015 Lausanne, Switzerland.
[Neaton, Jeffrey B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Long, Jeffrey R.; Brown, Craig M.] Univ Delaware, Dept Chem Engn, Newark, DE 19716 USA.
RP Queen, WL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
EM wlqueen@lbl.gov; jrlong@berkeley.edu; craig.brown@nist.gov
RI Smit, Berend/B-7580-2009; EFRC, CGS/I-6680-2012; Brown,
Craig/B-5430-2009; Neaton, Jeffrey/F-8578-2015; Foundry,
Molecular/G-9968-2014; James, Michael/A-8960-2011; Stangl,
Kristin/D-1502-2015
OI Smit, Berend/0000-0003-4653-8562; Brown, Craig/0000-0002-9637-9355;
Neaton, Jeffrey/0000-0001-7585-6135; Gonzalez,
Miguel/0000-0003-4250-9035; Queen, Wendy/0000-0002-8375-2341;
FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences and Biosciences [DE-FG02-12ER16362];
Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy [DE-AC02-05CH11231]; Center for Gas Separations
Relevant to Clean Energy Technologies, an Energy Frontier Research
Center - U.S. Department of Energy, Office of Science, Office of Basic
Energy Sciences [DE-SC0001015]; U.S. DOE [DE-AC02-06CH11357]; National
Collaborative Research Infrastructure Strategy; NSF; Gerald K. Branch
fellowship; NIST/NRC Fellowship Program; US Department of Energy (DOE),
Office of Science, Office of Basic Energy [DE-SC0001015]
FX This research was 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. 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,
and computational resources were provided by NERSC and LBNL Lawrencium.
The contributions of E.D.B., J.A.M., M.I.G., D.G., J.D.H., K.L., B.S.,
J.B.N., and J.R.L. were further supported through the Center for Gas
Separations Relevant to Clean Energy Technologies, an Energy Frontier
Research Center funded by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences under award DE-SC0001015. 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. Use of the Advanced Photon Source, an
Office of Science User Facility operated for the U.S. Department of
Energy (DOE) Office of Science by Argonne National Laboratory, was
supported by the U.S. DOE under Contract no. DE-AC02-06CH11357. Work at
the National Deuteration Facility of ANSTO is partly funded by the
National Collaborative Research Infrastructure Strategy. We like to
thank A.J. "Timmy" Ramirez-Cuesta at ISIS for his help in carrying out
the TOSCA measurements and Vanessa K. Peterson for her help carrying out
the experiments on WOMBAT and Echidna at The Bragg Institute. We would
further like to thank Greg Y. Morrison and James R. Nasiatka, of the
Advanced Light Source for the design and fabrication of the gas-loading
cell and dosing system used on Beamline 11.3.1 and Greg Halder for
assistance with data collected at the XSD beamline 17-BM-B at the
Advanced Photon Source, Argonne National Laboratory. We also thank NSF
for providing graduate fellowship support for J.A.M., a Gerald K. Branch
fellowship in chemistry for the support of E.D.B. and the NIST/NRC
Fellowship Program for the support of M.R.H. Development of the gas cell
and gas dosing manifold used at the Advanced Light Source was partially
funded by the US Department of Energy (DOE), Office of Science, Office
of Basic Energy Sciences under Award Number DE-SC0001015. We also
acknowledge Professor O. M. Yaghi for the use of the D-8 Venture single
crystal X-ray diffractometer at the Materials Science Division in LBNL.
NR 76
TC 58
Z9 58
U1 15
U2 115
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 2014
VL 5
IS 12
BP 4569
EP 4581
DI 10.1039/c4sc02064b
PG 13
WC Chemistry, Multidisciplinary
SC Chemistry
GA AS6MA
UT WOS:000344376400004
ER
PT J
AU Cai, SL
Zhang, YB
Pun, AB
He, B
Yang, JH
Toma, FM
Sharp, ID
Yaghi, OM
Fan, J
Zheng, SR
Zhang, WG
Liu, Y
AF Cai, Song-Liang
Zhang, Yue-Biao
Pun, Andrew B.
He, Bo
Yang, Jinhui
Toma, Francesca M.
Sharp, Ian D.
Yaghi, Omar M.
Fan, Jun
Zheng, Sheng-Run
Zhang, Wei-Guang
Liu, Yi
TI Tunable electrical conductivity in oriented thin films of
tetrathiafulvalene-based covalent organic framework
SO CHEMICAL SCIENCE
LA English
DT Article
ID TTF; SEMICONDUCTORS; CRYSTALLINE; DERIVATIVES; ELECTRONICS; FULLERENE;
TCNQ
AB Despite the high charge-carrier mobility in covalent organic frameworks (COFs), the low intrinsic conductivity and poor solution processability still impose a great challenge for their applications in flexible electronics. We report the growth of oriented thin films of a tetrathiafulvalene-based COF (TTF-COF) and its tunable doping. The porous structure of the crystalline TTF-COF thin film allows the diffusion of dopants such as I-2 and tetracyanoquinodimethane (TCNQ) for redox reactions, while the closely packed 2D grid sheets facilitate the cross-layer delocalization of thus-formed TTF radical cations to generate more conductive mixed-valence TTF species, as is verified by UV-vis-NIR and electron paramagnetic resonance spectra. Conductivity as high as 0.28 S m(-1) is observed for the doped COF thin films, which is three orders of magnitude higher than that of the pristine film and is among the highest for COF materials.
C1 [Cai, Song-Liang; Pun, Andrew B.; He, Bo; Liu, Yi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Cai, Song-Liang; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang] S China Normal Univ, Sch Chem & Environm, Guangzhou 510006, Guangdong, Peoples R China.
[Zhang, Yue-Biao; Toma, Francesca M.; Sharp, Ian D.; Yaghi, Omar M.] Univ Calif Berkeley, Kavli Energy Nanosci Inst Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Zhang, Yue-Biao; Yang, Jinhui; Yaghi, Omar M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA.
[Yang, Jinhui] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
[Toma, Francesca M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Chem Sci Div, Berkeley, CA 94720 USA.
[Sharp, Ian D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
RP Zhang, WG (reprint author), S China Normal Univ, Sch Chem & Environm, Guangzhou 510006, Guangdong, Peoples R China.
EM wgzhang@scnu.edu.cn; yliu@lbl.gov
RI He, Bo/B-7478-2015; Liu, yi/A-3384-2008; Sharp, Ian/I-6163-2015; ZHANG,
Yue-Biao/E-7870-2011; Foundry, Molecular/G-9968-2014;
OI He, Bo/0000-0003-1444-4625; Liu, yi/0000-0002-3954-6102; Sharp,
Ian/0000-0001-5238-7487; ZHANG, Yue-Biao/0000-0002-8270-1067; Yaghi,
Omar/0000-0002-5611-3325
FU Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy [DE-AC02-05CH11231, DE-SC0004993];
Inorganic-Organic Nanocomposites program [DE-AC02-05CH11231, SC0004993];
Chinese Scholarship Council; DOE SULI internship; NSF China [21171059];
BASF SE (Ludwigshafen, Germany); DOE ARPA-E [DE-AR0000251]
FX This work was performed at the Molecular Foundry, with EPR measurements
conducted at the Joint Center for Artificial Photosynthesis, a DOE
Energy Innovation Hub. They are supported through the Office of Science,
Office of Basic Energy Sciences, of the U.S. Department of Energy, under
Contract no. DE-AC02-05CH11231 and Award no. DE-SC0004993, respectively.
B.H. and Y.L. are supported by the Inorganic-Organic Nanocomposites
program under the same contract number. S.C. is grateful to the Chinese
Scholarship Council for a fellowship. A.B.P. is supported by a DOE SULI
internship. W.Z acknowledges the support from NSF China (Grant no.
21171059). Y.Z and O.M.Y. acknowledge the support from BASF SE
(Ludwigshafen, Germany) and DOE ARPA-E (DE-AR0000251). We thank Dr Simon
J. Teat (Beam 11.3.1) and Dr Chenhui Zhu (Beam 7.3.3) of Advanced Light
Source for synchrotron X-ray studies.
NR 42
TC 48
Z9 49
U1 27
U2 169
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 2014
VL 5
IS 12
BP 4693
EP 4700
DI 10.1039/c4sc02593h
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA AS6MA
UT WOS:000344376400018
ER
PT J
AU Hulley, EB
Helm, ML
Bullock, RM
AF Hulley, Elliott B.
Helm, Monte L.
Bullock, R. Morris
TI Heterolytic cleavage of H-2 by bifunctional manganese(I) complexes:
impact of ligand dynamics, electrophilicity, and base positioning
SO CHEMICAL SCIENCE
LA English
DT Article
ID HYDRIDE TRANSFER-REACTIONS; TRANSITION-METAL HYDRIDES; PENDANT AMINES;
HYDROGEN-PRODUCTION; MOLECULAR ELECTROCATALYSTS; DIHYDROGEN ACTIVATION;
DIPHOSPHINE LIGANDS; IRON(II) COMPLEXES; RECENT PROGRESS; TRITYL CATION
AB We report the synthesis, characterization, and reactivity with H-2 of a series of Mn-I complexes of the type [(P-P)Mn(L-2)CO](+) (L-2 = dppm, bppm, or (CO)(2); P-P = (PNPPh)-N-Ph-P-Me or P-2(Ph) N-2(Bn)) that bear pendant amine ligands designed to function as proton relays. The pendant amine was found to function as a hemilabile ligand; its binding strength is strongly affected by the ancillary ligand environment around Mn. Tuning the electrophilicity of the Mn center leads to systems capable of reversible heterolytic cleavage of the H-H bond. The strength of pendant amine binding can be balanced to protect the Mn center while still leading to facile reactivity with H-2. Neutral MnIH species bearing pendant amines in the diphosphine ligand were found to react with one-electron oxidants and, after proton and electron transfer reactions, regenerate cationic MnI species. The reactivity presented herein indicates that the Mn complexes we have developed are a promising platform for development of Mn-based H-2 oxidation electrocatalysts.
C1 [Hulley, Elliott B.; Helm, Monte L.; Bullock, R. Morris] Pacific NW Natl Lab, Ctr Mol Electrocatalysis, Div Phys Sci, Richland, WA 99352 USA.
RP Bullock, RM (reprint author), Pacific NW Natl Lab, Ctr Mol Electrocatalysis, Div Phys Sci, POB 999,K2-57, Richland, WA 99352 USA.
EM morris.bullock@pnnl.gov
RI Bullock, R. Morris/L-6802-2016
OI Bullock, R. Morris/0000-0001-6306-4851
FU Center for Molecular Electrocatalysis; Energy Frontier Research Center -
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences
FX We are grateful to Dr Aaron M. Appel, Dr Neeraj Kumar, and Dr Jonathan
Darmon for thoughtful discussions. The research was supported as part of
the Center for Molecular Electrocatalysis, an Energy Frontier Research
Center funded by the U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences. Computational resources were provided
by the National Energy Research Scientific Computing Center (NERSC) at
Lawrence Berkeley National Laboratory. Pacific Northwest National
Laboratory is operated by Battelle for DOE.
NR 70
TC 11
Z9 11
U1 3
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 2014
VL 5
IS 12
BP 4729
EP 4741
DI 10.1039/c4sc01801j
PG 13
WC Chemistry, Multidisciplinary
SC Chemistry
GA AS6MA
UT WOS:000344376400023
ER
PT J
AU Luska, KL
Julis, J
Stavitski, E
Zakharov, DN
Adams, A
Leitner, W
AF Luska, Kylie L.
Julis, Jennifer
Stavitski, Eli
Zakharov, Dmitri N.
Adams, Alina
Leitner, Walter
TI Bifunctional nanoparticle-SILP catalysts (NPs@SILP) for the selective
deoxygenation of biomass substrates
SO CHEMICAL SCIENCE
LA English
DT Article
ID IONIC LIQUID CATALYSIS; AQUEOUS-SOLUTIONS; SILICA-GEL; HYDROGENATION;
PHASE; ALKANES; CONVERSION; CHEMICALS; EFFICIENT; FUELS
AB Ruthenium nanoparticles were immobilized onto an acidic supported ionic liquid phase ( RuNPs@SILP) in the development of bifunctional catalysts for the selective deoxygenation of biomass substrates. RuNPs@SILPs possessed high catalytic activities, selectivities and recyclabilities in the hydrogenolytic deoxygenation and ring opening of C-8- and C-9-substrates derived from furfural or 5-hydroxymethylfurfural and acetone. Tailoring the acidity of the SILP through the ionic liquid loading provided a molecular parameter by which the catalytic activity and selectivity of the RuNPs@SILPs were controlled to provide a flexible catalyst system toward the formation of different classes of value-added products: cyclic ethers, primary alcohols or aliphatic ethers.
C1 [Luska, Kylie L.; Julis, Jennifer; Adams, Alina; Leitner, Walter] Rhein Westfal TH Aachen, Inst Tech & Makromol Chem, D-52074 Aachen, Germany.
[Leitner, Walter] Max Planck Inst Kohlenforsch, D-45470 Mulheim, Germany.
[Julis, Jennifer] Evon Ind AG, D-45772 Marl, Germany.
[Stavitski, Eli] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
[Zakharov, Dmitri N.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
RP Leitner, W (reprint author), Rhein Westfal TH Aachen, Inst Tech & Makromol Chem, Worringerweg 1, D-52074 Aachen, Germany.
EM leitner@itmc.rwth-aachen.de
RI Leitner, Walter/D-3031-2015; Luska, Kylie/K-3866-2016; Adams,
Alina/E-6552-2010
OI Leitner, Walter/0000-0001-6100-9656; Luska, Kylie/0000-0003-3477-4648;
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-98CH10886]; Deutscher Akademischer Austaush Dienst
(DAAD); Excellence Initiative of the German federal and state
government; U.S. Department of Energy, Office of Basic Energy Sciences
[DEAC02-98CH10886]
FX This work was performed as a part of the Cluster of Excellence
"Tailor-Made Fuels from Biomass", which is funded by the Excellence
Initiative of the German federal and state government to promote science
and research at German universities. The authors would like to thank
Karl-Josef Vaeben (ITMC, RWTH Aachen University) for N2(g)
adsorption measurements, as well as Dr Markus Holscher (ITMC, RWTH
Aachen University) and Dr Nils Theyssen (Max-Planck-Institut fur
Kohlenforschung) for their generous support. Use of the X18A beamline at
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.
Center for Functional Nanomaterials at BNL is supported by the U.S.
Department of Energy, Office of Basic Energy Sciences, under Contract
no. DEAC02-98CH10886. KLL would also like to thank Deutscher
Akademischer Austaush Dienst (DAAD) for financial support.
NR 69
TC 17
Z9 17
U1 5
U2 52
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 2014
VL 5
IS 12
BP 4895
EP 4905
DI 10.1039/c4sc02033b
PG 11
WC Chemistry, Multidisciplinary
SC Chemistry
GA AS6MA
UT WOS:000344376400044
ER
PT J
AU Karra, S
Painter, SL
Lichtner, PC
AF Karra, S.
Painter, S. L.
Lichtner, P. C.
TI Three-phase numerical model for subsurface hydrology in
permafrost-affected regions (PFLOTRAN-ICE v1.0)
SO CRYOSPHERE
LA English
DT Article
ID UNSATURATED POROUS-MEDIA; UNFROZEN WATER-CONTENT; HEAT-FLUID TRANSPORT;
CLIMATE-CHANGE; MASS-TRANSFER; COUPLED HEAT; HYDRAULIC CONDUCTIVITY;
GROUNDWATER-FLOW; THERMAL REGIME; ACTIVE LAYER
AB Degradation of near-surface permafrost due to changes in the climate is expected to impact the hydrological, ecological and biogeochemical responses of the Arctic tundra. From a hydrological perspective, it is important to understand the movement of the various phases of water (gas, liquid and ice) during the freezing and thawing of near-surface soils. We present a new non-isothermal, single-component (water), three-phase formulation that treats air as an inactive component. This single component model works well and produces similar results to a more complete and computationally demanding two-component (air, water) formulation, and is able to reproduce results of previously published laboratory experiments. A proof-of-concept implementation in the massively parallel subsurface flow and reactive transport code PFLOTRAN is summarized, and parallel performance of that implementation is demonstrated. When water vapor diffusion is considered, a large effect on soil moisture dynamics is seen, which is due to dependence of thermal conductivity on ice content. A large three-dimensional simulation (with around 6 million degrees of freedom) of seasonal freezing and thawing is also presented.
C1 [Karra, S.; Painter, S. L.] Los Alamos Natl Lab, Div Earth & Environm Sci, Computat Earth Sci Grp, Los Alamos, NM 87545 USA.
[Lichtner, P. C.] OFM Res, Redmond, WA 98053 USA.
RP Karra, S (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Computat Earth Sci Grp, Los Alamos, NM 87545 USA.
EM satkarra@lanl.gov
RI Painter, Scott/C-2586-2016;
OI Painter, Scott/0000-0002-0901-6987; Karra, Satish/0000-0001-7847-6293
FU Los Alamos National Laboratory Project [LDRD201200068DR]; NGEE Arctic
project; Office of Biological and Environmental Research in the DOE
Office of Science; Office of Science of the Department of Energy
[DE-AC05-00OR22725]; Innovative and Novel Computational Impact on Theory
and Experiment (INCITE) program
FX This work was funded by Los Alamos National Laboratory Project
LDRD201200068DR and by the NGEE Arctic project. The Next-Generation
Ecosystem Experiments (NGEE Arctic) project is supported by the Office
of Biological and Environmental Research in the DOE Office of Science.
This research used resources of the Oak Ridge Leadership Computing
Facility located in the Oak Ridge National Laboratory, which is
supported by the Office of Science of the Department of Energy under
contract DE-AC05-00OR22725. The computing time at Oak Ridge Leadership
Computing Facility was provided by an award through the Innovative and
Novel Computational Impact on Theory and Experiment (INCITE) program.
The authors also thank Los Alamos National Laboratory Institutional
Computing Program for time on the Mustang supercomputer, and Craig
Tweedie of UT El Paso for the LiDAR data from Barrow.
NR 44
TC 14
Z9 14
U1 5
U2 37
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1994-0416
EI 1994-0424
J9 CRYOSPHERE
JI Cryosphere
PY 2014
VL 8
IS 5
BP 1935
EP 1950
DI 10.5194/tc-8-1935-2014
PG 16
WC Geography, Physical; Geosciences, Multidisciplinary
SC Physical Geography; Geology
GA AT1ZG
UT WOS:000344728900022
ER
PT J
AU Weck, PF
Kim, E
AF Weck, Philippe F.
Kim, Eunja
TI Layered uranium(VI) hydroxides: structural and thermodynamic properties
of dehydrated schoepite alpha-UO2(OH)(2)
SO DALTON TRANSACTIONS
LA English
DT Article
ID GENERALIZED GRADIENT APPROXIMATION; BRILLOUIN-ZONE INTEGRATIONS; PROTON
MAGNETIC RESONANCE; AUGMENTED-WAVE METHOD; SPENT NUCLEAR-FUEL;
CRYSTAL-STRUCTURES; URANYL HYDROXIDE; TRIOXIDE-WATER; ALPHA-FORM; OXIDE
AB The structure of dehydrated schoepite, alpha-UO2(OH)(2), was investigated using computational approaches that go beyond standard density functional theory and include van der Waals dispersion corrections (DFT-D). Thermal properties of alpha-UO2(OH)(2), were also obtained from phonon frequencies calculated with density functional perturbation theory (DFPT) including van der Waals dispersion corrections. While the isobaric heat capacity computed from first-principles reproduces available calorimetric data to within 5% up to 500 K, some entropy estimates based on calorimetric measurements for UO3 center dot 0.85H(2)O were found to overestimate by up to 23% the values computed in this study.
C1 [Weck, Philippe F.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Kim, Eunja] Univ Nevada, Dept Phys & Astron, Las Vegas, NV 89154 USA.
RP Weck, PF (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM pfweck@sandia.gov
OI , Philippe/0000-0002-7610-2893
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; Used Fuel Disposition Campaign of the U.S.
Department of Energy's Office of Nuclear Energy
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. Funding for
this work was provided by the Used Fuel Disposition Campaign of the U.S.
Department of Energy's Office of Nuclear Energy.
NR 54
TC 9
Z9 9
U1 4
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 2014
VL 43
IS 45
BP 17191
EP 17199
DI 10.1039/c4dt02455a
PG 9
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA AS7TM
UT WOS:000344457600030
PM 25318965
ER
PT J
AU Olson, AC
Keith, JM
Batista, ER
Boland, KS
Daly, SR
Kozimor, SA
MacInnes, MM
Martin, RL
Scott, BL
AF Olson, Angela C.
Keith, Jason M.
Batista, Enrique R.
Boland, Kevin S.
Daly, Scott R.
Kozimor, Stosh A.
MacInnes, Molly M.
Martin, Richard L.
Scott, Brian L.
TI Using solution- and solid-state S K-edge X-ray absorption spectroscopy
with density functional theory to evaluate M-S bonding for MS42- (M =
Cr, Mo, W) dianions
SO DALTON TRANSACTIONS
LA English
DT Article
ID ELECTRONIC-STRUCTURE THEORY; TRANSITION-METAL-COMPLEXES; TUNICATE
ASCIDIA-CERATODES; VARIABLE PHOTON ENERGY; BLUE-COPPER SITE; SULFUR-K;
METALLOCENE DICHLORIDES; PHOTOELECTRON-SPECTROSCOPY; ORGANOTITANIUM
COMPLEXES; LIGAND COVALENCY
AB Herein, we have evaluated relative changes in M-S electronic structure and orbital mixing in Group 6 MS42- dianions using solid-and solution-phase S K-edge X-ray absorption spectroscopy (XAS; M = Mo, W), as well as density functional theory (DFT; M = Cr, Mo, W) and time-dependent density functional theory (TDDFT) calculations. To facilitate comparison with solution measurements (conducted in acetonitrile), theoretical models included gas-phase calculations as well as those that incorporated an acetonitrile dielectric, the latter of which provided better agreement with experiment. Two pre-edge features arising from S 1s -> e* and t(2)* electron excitations were observed in the S K-edge XAS spectra and were reasonably assigned as (1)A(1) -> T-1(2) transitions. For MoSS42-, both solution-phase pre-edge peak intensities were consistent with results from the solid-state spectra. For WSS42-, solution-and solid-state pre-edge peak intensities for transitions involving e* were equivalent, while transitions involving the t(2)* orbitals were less intense in solution. Experimental and computational results have been presented in comparison to recent analyses of MOS42- dianions, which allowed M-S and M-O orbital mixing to be evaluated as the principle quantum number (n) for the metal valence d orbitals increased (3d, 4d, 5d). Overall, the M-E (E = O, S) analyses revealed distinct trends in orbital mixing. For example, as the Group 6 triad was descended, e* (pi*) orbital mixing remained constant in the M-S bonds, but increased appreciably for M-O interactions. For the t(2)* orbitals (sigma* + pi*), mixing decreased slightly for M-S bonding and increased only slightly for the M-O interactions. These results suggested that the metal and ligand valence orbital energies and radial extensions delicately influenced the orbital compositions for isoelectronic MES42- (E = O, S) dianions.
C1 [Olson, Angela C.; Keith, Jason M.; Batista, Enrique R.; Boland, Kevin S.; Daly, Scott R.; Kozimor, Stosh A.; MacInnes, Molly M.; Martin, Richard L.; Scott, Brian L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Keith, Jason M.] Colgate Univ, Hamilton, NY 13346 USA.
[Daly, Scott R.] Univ Iowa, Iowa City, IA 52242 USA.
RP Batista, ER (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM erb@lanl.gov; stosh@lanl.gov
RI Scott, Brian/D-8995-2017
OI Scott, Brian/0000-0003-0468-5396
FU U.S. Department of Energy, Office of Nuclear Energy (Fuel Cycle RD
Program); Glenn T. Seaborg Institute Postdoctoral Fellowships (Olson,
Daly); National Nuclear Security Administration of U.S. Department of
Energy [DE-AC52-06NA25396]; DOE Office of Biological and Environmental
Research; National Institutes of Health, National Institute of General
Medical Sciences [P41GM103393]
FX The solid-state measurements and DFT calculations were supported under
the Heavy Element Chemistry Program at LANL by the Division of Chemical
Sciences, Geosciences, and Bio-sciences, Office of Basic Energy
Sciences. Solution-phase measurements were funded under the U.S.
Department of Energy, Office of Nuclear Energy (Fuel Cycle R&D Program).
Parts of the DFT calculations were carried out at Colgate University.
Portions of this research were carried out at the Stanford Synchrotron
Radiation Lightsource (SSRL), 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. We
acknowledge the Synchrotron Light Source Angstroemquelle Karlsruhe
(ANKA) for provision of instruments at the INE-Beamline. Parts of this
work were supported at LANL by Glenn T. Seaborg Institute Postdoctoral
Fellowships (Olson, Daly) and a Director's Postdoctoral Fellowship
(Keith). Los Alamos National Laboratory is operated by Los Alamos
National Security, LLC, for the National Nuclear Security Administration
of U.S. Department of Energy (contract DE-AC52-06NA25396). The SSRL
Structural Molecular Biology Program is supported by the DOE Office of
Biological and Environmental Research, and by the National Institutes of
Health, National Institute of General Medical Sciences (including
P41GM103393). The contents of this publication are solely the
responsibility of the authors and do not necessarily represent the
official views of NIGMS, NCRR or NIH.
NR 111
TC 4
Z9 4
U1 1
U2 25
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 2014
VL 43
IS 46
BP 17283
EP 17295
DI 10.1039/c4dt02302a
PG 13
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA AT0AB
UT WOS:000344598200010
PM 25311904
ER
PT J
AU He, XH
Tian, GX
Chen, J
Rao, LF
AF He, Xihong
Tian, Guoxin
Chen, Jing
Rao, Linfeng
TI Characterization of the extracted complexes of trivalent lanthanides
with purified cyanex 301 in comparison with trivalent actinide complexes
SO DALTON TRANSACTIONS
LA English
DT Article
ID RAY-ABSORPTION SPECTROSCOPY; ACID; SELECTIVITY; SEPARATION; AM(III);
IONS; CONTRACTION; CONSTANTS; PHOSPHATE; HYDRATION
AB The extracted complexes of trivalent lanthanides (Ln(III)) with purified Cyanex 301 (bis(2,4,4-trimethylpentyl)dithiophosphinic acid, denoted as HA) were investigated by extended X-ray absorption fine structure spectroscopy (EXAFS), UV-Vis and fluorescence spectroscopy. In the complexes prepared under the same conditions of solvent extraction, the light Ln(III) ions are mainly coordinated by the sulfur atoms of the ligands, and the middle Ln(III) ions are coordinated by mixed donors, the sulfur atoms of the ligands and the oxygen atoms of the extracted water, while the heavy Ln(III) ions are completely hydrated in the organic phase without any sulfur atoms of the ligands in the coordination shell. As the atomic number increases, the extracted water molecules gradually replace the sulfur atoms of the ligands in the first coordination shell of Ln(III), and simultaneously the ligand anions become counterions just for balancing the positive charge of the fully hydrated heavy Ln(III) ions. The effect of the change in the complex structures on the extraction of Ln(III) ions with HA was evaluated by the co-extraction of other thirteen individual Ln(III) together with Nd-III. In contrast to most ligands bonding more strongly to heavier Ln(III), HA preferentially extracts lighter Ln(III), suggesting that the unusual extraction capability of HA for Ln(III) might originate from the difference in the complex structures with Ln(III) ions.
C1 [He, Xihong; Tian, Guoxin; Chen, Jing] Tsinghua Univ, Inst Nucl & New Energy Technol, Beijing 100084, Peoples R China.
[He, Xihong; Tian, Guoxin] China Inst Atom Energy, Dept Radiochem, Beijing 102413, Peoples R China.
[Tian, Guoxin; Rao, Linfeng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Tian, GX (reprint author), Tsinghua Univ, Inst Nucl & New Energy Technol, Beijing 100084, Peoples R China.
EM gtian@ciae.ac.cn; jingxia@tsinghua.edu.cn
FU Chinese Academy of Science [XDA 3010402]; Office of Science, Office of
Basic Energy Science of the U.S. Department of Energy (DOE) at LBNL
[DOE-AC02-05CH11231]; LBNL
FX This work was supported mainly by the project XDA 3010402 under the
"Strategy Priority Research Program" of the Chinese Academy of Science.
Preparation of the samples of Nd, Sm, and Tb for EXAFS studies was
performed at Lawrence Berkeley National Laboratory (LBNL) and supported
by the Director, Office of Science, Office of Basic Energy Science of
the U.S. Department of Energy (DOE), under Contract No.
DOE-AC02-05CH11231 at LBNL. EXAFS data of Nd, Sm, and Tb were collected
at Stanford Synchrotron Radiation Laboratory (SSRL), operated for the
Office of Science, U.S. DOE by Stanford University, while the EXAFS data
of Pr, Eu, Gd and Dy were collected at Beijing Synchrotron Radiation
Facility (BSRF). X. H. acknowledges the partial financial support from
LBNL for his one-year visit to LBNL.
NR 32
TC 2
Z9 2
U1 6
U2 40
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 2014
VL 43
IS 46
BP 17352
EP 17357
DI 10.1039/c4dt02553a
PG 6
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA AT0AB
UT WOS:000344598200017
PM 25321613
ER
PT S
AU Blair, J
Canon, RS
Deslippe, J
Essiari, A
Hexemer, A
Mac Dowell, AA
Parkinson, DY
Patton, SJ
Ramakrishnan, L
Tamura, N
Tierney, BL
Tull, CE
AF Blair, Justin
Canon, Richard S.
Deslippe, Jack
Essiari, Abdelilah
Hexemer, Alexander
Mac Dowell, Alastair A.
Parkinson, Dilworth Y.
Patton, Simon J.
Ramakrishnan, Lavanya
Tamura, Nobumichi
Tierney, Brian L.
Tull, Craig E.
BE Stock, SR
TI High performance data management and analysis for tomography
SO DEVELOPMENTS IN X-RAY TOMOGRAPHY IX
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Developments in X-Ray Tomography IX
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE MicroCT; Tomography; big data; supercomputer; high performance
computing; synchrotron; light source; workflow
AB The Advanced Light Source (ALS) is a third-generation synchrotron X-ray source that operates as a user facility with more than 40 beamlines hosting over 2000 users per year from around the world. Users of the Hard X-ray Micro-Tomography Beamline (8.3.2) often collect more than 1 Terabyte of raw data per day that in turn generates additional Terabytes of processed data. The data rate continues to increase rapidly due to faster detectors and new sample automation capabilities. We will present the development and deployment of a computational pipeline, fed by data from the ALS, and powered by the storage, networking, and computing resources of the local National Energy Research Scientific Computing Center (NERSC) and the Energy Sciences Network (ESNET). After one year of operation, the system contained 70,000 datasets and 350 TB of data from 85 users. All datasets now collected at the Hard X-ray Tomography Beamline are automatically reconstructed using parameters set by users and/or that are automatically detected from the data acquisition control system. Results are presented to users for visualization through a secure web portal. Users can then download their data or launch a (currently limited but) growing number of operations based on the data-such as filtering, segmentation, and simulation. The massive computational resources of NERSC are thus made available on a level that is easily accessible to the full range of micro-tomography users.
C1 [Blair, Justin; Canon, Richard S.; Deslippe, Jack; Essiari, Abdelilah; Hexemer, Alexander; Mac Dowell, Alastair A.; Parkinson, Dilworth Y.; Patton, Simon J.; Ramakrishnan, Lavanya; Tamura, Nobumichi; Tierney, Brian L.; Tull, Craig E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Parkinson, DY (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM dyparkinson@lbl.gov
RI Parkinson, Dilworth/A-2974-2015
OI Parkinson, Dilworth/0000-0002-1817-0716
FU Office of Science; Office of Basic Energy Sciences; Office of Advanced
Scientific Computing Research; U. S. Department of Energy [DE- AC02-
05CH11231]
FX We acknowledge the help of Peter Denes for Figure 1, Hannah Wood for use
of the dataset pictured in Figures 3 and 4 and. Hrishi Bale for help
with Figure 6. This work was supported by the Office of Science, Office
of Basic Energy Sciences, and the Office of Advanced Scientific
Computing Research, of the U. S. Department of Energy under contract DE-
AC02- 05CH11231. This work used resources of the National Energy
Research Scientific Computing Center ( DOE- ASCR) and the Advanced Light
Source at the Lawrence Berkeley National Laboratory ( DOE- BES,
Scientific User Facilities Division). Research was supported by Lawrence
Berkeley National Laboratory's Laboratory Directed Research and
Development ( LDRD) Program, the SciDAC Institute of Scalable Data
Management, Analysis, and Visualization ( SDAV) ( DOE- ASCR), and the
DOE Early Career Award program ( A. Hexemer).
NR 4
TC 1
Z9 1
U1 0
U2 1
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-239-0
J9 PROC SPIE
PY 2014
VL 9212
AR UNSP 92121G
DI 10.1117/12.2069862
PG 9
WC Engineering, Electrical & Electronic; Optics; Radiology, Nuclear
Medicine & Medical Imaging
SC Engineering; Optics; Radiology, Nuclear Medicine & Medical Imaging
GA BB6BC
UT WOS:000344554400042
ER
PT S
AU Guersoy, D
De Carlo, F
Xiao, XH
Jacobsen, C
AF Guersoy, Doga
De Carlo, Francesco
Xiao, Xianghui
Jacobsen, Chris
BE Stock, SR
TI TomoPy: A framework for the analysis of synchrotron tomographic data
SO DEVELOPMENTS IN X-RAY TOMOGRAPHY IX
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Developments in X-Ray Tomography IX
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE X-ray Imaging; Tomopy; Tomography; Software; Data Analysis
AB Analysis of large tomographic datasets at synchrotron light sources is becoming progressively more challenging due to the increasing data acquisition rates that new technologies in X-ray sources and detectors enable. The next generation of synchrotron facilities that are currently under design or construction throughout the world will provide diffraction limited X-ray sources and is expected to boost the current data rates by several orders of magnitude and stressing the need for the development and integration of efficient analysis tools more than ever. Here we describe in detail an attempt to provide such a collaborative framework for the analysis of synchrotron tomographic data that has the potential to unify the effort of different facilities and beamlines performing similar tasks. The proposed Python/C++ based framework is open-source, OS and data format independent, parallelizable and supports functional programming that many researchers prefer. This collaborative platform will affect all major synchrotron facilities where new effort is now dedicated into developing new tools that can be deployed at the facility for real time processing as well as distributed to users for off site data processing.
C1 [Guersoy, Doga; De Carlo, Francesco; Xiao, Xianghui; Jacobsen, Chris] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
RP De Carlo, F (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM dgursoy@aps.anl.gov; decarlo@aps.anl.gov
RI Jacobsen, Chris/E-2827-2015
OI Jacobsen, Chris/0000-0001-8562-0353
NR 7
TC 0
Z9 0
U1 1
U2 4
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-239-0
J9 PROC SPIE
PY 2014
VL 9212
AR 92120N
DI 10.1117/12.2061373
PG 4
WC Engineering, Electrical & Electronic; Optics; Radiology, Nuclear
Medicine & Medical Imaging
SC Engineering; Optics; Radiology, Nuclear Medicine & Medical Imaging
GA BB6BC
UT WOS:000344554400018
ER
PT S
AU Leemreize, H
Birkbak, M
Frolich, S
Kenesei, P
Almer, JD
Stock, SR
Birkedal, H
AF Leemreize, Hanna
Birkbak, Mie
Frolich, Simon
Kenesei, Peter
Almer, Jonathan D.
Stock, Stuart R.
Birkedal, Henrik
BE Stock, SR
TI Diffraction computed tomography reveals the inner structure of complex
biominerals
SO DEVELOPMENTS IN X-RAY TOMOGRAPHY IX
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Developments in X-Ray Tomography IX
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE Diffraction tomography; high energy X-rays; biomineralization; calcium
carbonate; tomography; diffraction
ID RAY-SCATTERING TOMOGRAPHY; ACTIVE PHASE EVOLUTION; CATALYST BODIES;
ANOMIA; CRYSTALLINE; COMPOSITES; DIMENSIONS; MICROSCOPY; COATINGS;
BYSSUS
AB Biological materials are complex and their investigation demands advanced characterization tools capable of elucidating their structure in three dimensions without the need for complicated sample preparation. Herein, we discuss our implementation of diffraction/scattering computed tomography (DSCT). DSCT is based on the use of diffraction information for tomographic reconstructions rather than linear attenuation as in regular mu-CT. This provides much additional information on the material under investigation. We illustrate the use of DSCT by discussion of data on a biomineralized attachment organ from a marine mussel. DSCT allowed mapping the spatial distribution of calcium carbonate polymorphs aragonite and calcite even though they were indistinguishable in absorption tomography. Detailed analysis of reconstructed diffraction patterns may provide additional insights as exemplified in the present case by mapping of the degree of chemical substitution in calcite.
C1 [Leemreize, Hanna; Birkbak, Mie; Frolich, Simon; Birkedal, Henrik] Aarhus Univ, iNANO, 14 Gustav Wieds Vej, DK-8000 Aarhus C, Denmark.
[Kenesei, Peter; Almer, Jonathan D.] Argonne Natl Lab, BX ray Sci Div, Argonne, IL 60439 USA.
[Stock, Stuart R.] Northwestern Univ, Feinberg Sch Med, Dept Cell & Mol Biol, Chicago, IL 60611 USA.
RP Leemreize, H (reprint author), Aarhus Univ, iNANO, 14 Gustav Wieds Vej, DK-8000 Aarhus C, Denmark.
EM hbirkedal@chem.au.dk
OI Birkedal, Henrik/0000-0002-4201-2179
FU DANSCATT; NICDR [DE001374]; US Department of Energy; Office of Science;
Office of Basic Energy Sciences [DE- AC02- 06CH11357]
FX We gratefully acknowledge support from the entire staff of 1- ID of the
Advanced Photon Source. We thank the Human Frontiers Science Program and
DANSCATT for funding. S. R. S. further acknowledges support from NICDR
grant no. DE001374 ( to Arthur Veis). 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. We
thank Jean- Louis Hodeau and Marco di Michiel for helpful discussions.
NR 42
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Z9 3
U1 1
U2 9
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-239-0
J9 PROC SPIE
PY 2014
VL 9212
AR UNSP 92120C
DI 10.1117/12.2061580
PG 8
WC Engineering, Electrical & Electronic; Optics; Radiology, Nuclear
Medicine & Medical Imaging
SC Engineering; Optics; Radiology, Nuclear Medicine & Medical Imaging
GA BB6BC
UT WOS:000344554400011
ER
PT S
AU Richter, CP
Liddy, W
Vo, A
Young, H
Stock, S
Xiao, XH
Whitlon, D
AF Richter, Claus-Peter
Liddy, Whitney
Vo, Amanda
Young, Hunter
Stock, Stuart
Xiao, Xianghui
Whitlon, Donna
BE Stock, SR
TI Evaluation of neural cochlear structures after noise trauma using X-ray
tomography
SO DEVELOPMENTS IN X-RAY TOMOGRAPHY IX
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Developments in X-Ray Tomography IX
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE imaging; neuron counts; X-rays; synchrotron radiation
ID SPIRAL-GANGLION NEURONS; INDUCED HEARING-LOSS; INNER-EAR; NEUROTROPHIC
FACTORS; AUDITORY NEURONS; MESSENGER-RNA; BDNF; PHASE; NT-3; PREVALENCE
AB According to the World Health Organization (WHO), in 2010 hearing loss affected more than 278 million people worldwide. The loss of hearing and communication has significant consequences on the emotional well-being of each affected individual. The estimated socio-economic impact is about $ 100 billion in unrealized household income per year. Despite this impact on society, no Food and Drug Administration (FDA) approved drug intervention is available today that would either protect or reverse the effects of hearing loss. A limiting factor for all efforts to validate drugs for treatment relates to the time consuming animal experiments and subsequent histology. Here, we present an imaging method that is superior to current gold standard methods in flexibility and time for evaluation of histology. Tissue processing times are reduced from weeks to hours. As an example, we show that Brain Derived Neurotrophic Factor (BDNF) reduces the effect of noise induced hearing loss.
C1 [Richter, Claus-Peter; Liddy, Whitney; Vo, Amanda; Young, Hunter; Whitlon, Donna] Northwestern Univ, Dept Otolaryngol, Feinberg Sch Med, 303 E Chicago Ave, Chicago, IL 60611 USA.
[Stock, Stuart] Northwestern Univ Feinberg Sch Med, Dept Cell & Mol Biol, Chicago, IL 60611 USA.
[Xiao, Xianghui] Argonne Natl Lab, Adv Photon Source, Lemont, IL 60439 USA.
[Richter, Claus-Peter; Whitlon, Donna] Northwestern Univ, Dept Commun Sci & Disorders, Hugh Knowles Ctr, Evanston, IL 60208 USA.
[Richter, Claus-Peter] Northwestern Univ, Dept Biomed Engn, Evanston, IL 60208 USA.
[Whitlon, Donna] Interdepartmental Neurosci Program, Chicago, IL 60611 USA.
RP Richter, CP (reprint author), Northwestern Univ, Dept Otolaryngol, Feinberg Sch Med, 303 E Chicago Ave, Chicago, IL 60611 USA.
EM cri529@northwestern.edu
FU U.S. DOE, Basic Energy Sciences; Office of Science [W- 31- 109- ENG38];
Office of Naval Research [N00014-12-1-0173]
FX The APS is supported by the U.S. DOE, Basic Energy Sciences, Office of
Science under contract No. W- 31- 109- ENG38. The work is also supported
by a grant from the Office of Naval Research ( N00014-12-1-0173).
NR 31
TC 0
Z9 0
U1 0
U2 1
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-239-0
J9 PROC SPIE
PY 2014
VL 9212
AR UNSP 92120U
DI 10.1117/12.2062385
PG 7
WC Engineering, Electrical & Electronic; Optics; Radiology, Nuclear
Medicine & Medical Imaging
SC Engineering; Optics; Radiology, Nuclear Medicine & Medical Imaging
GA BB6BC
UT WOS:000344554400024
ER
PT S
AU Wang, YJ
Xia, CJ
Cao, YX
Kou, BQ
Li, JD
Xiao, XH
Fezzaa, K
AF Wang, Yujie
Xia, Chengjie
Cao, Yixin
Kou, Binquan
Li, Jindong
Xiao, Xianghui
Fezzaa, Kamel
BE Stock, SR
TI Fast X-ray Micro-tomography Imaging Study of Granular Packing under
Tapping
SO DEVELOPMENTS IN X-RAY TOMOGRAPHY IX
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Developments in X-Ray Tomography IX
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE fast tomography; synchrotron; granular materials; soft matter; granular
rheology; granular packing
ID 3-DIMENSIONAL REGISTRATION; LENGTH SCALES; DYNAMICS; GLASS; TRANSITION;
MECHANICS; LIQUIDS; FIELDS
AB Owing to the high photon flux of synchrotron radiation, the exposure time is greatly reduced, and the total data-acquisition time of a tomography scan has been shortened to second level. Thus a four dimensional (3D structural and temporal) imaging technique can be utilized to capture the structural evolvement of 3D systems. Utilizing this technique, we studied the structural evolvement and particle-scale dynamics of three dimensional (3D) granular packing under tapping. We conducted a tomographic scan of the packing after each tapping, and the displacement of each particle was captured through a tracking algorithm. An averaged 3D flow field of the packing under tapping was also calculated. The major conclusion of this work is that the local particle fluctuation displacements are correlated with local packing structures, which are characterized through the size and shape of the Voronoi cells.
C1 [Wang, Yujie; Xia, Chengjie; Cao, Yixin; Kou, Binquan; Li, Jindong] Shanghai Jiao Tong Univ, Dept Phys & Astron, 800 Dong Chuan Rd, Shanghai 200240, Peoples R China.
[Xiao, Xianghui; Fezzaa, Kamel] X ray Sci Div, Argonne Natl Lab, South Cass Avenue, IL 9700 USA.
RP Wang, YJ (reprint author), Shanghai Jiao Tong Univ, Dept Phys & Astron, 800 Dong Chuan Rd, Shanghai 200240, Peoples R China.
EM yujiewang@sjtu.edu.cn
RI wang, yujie/C-2582-2015; Kou, Binquan/O-8302-2016
FU U. S. Department of Energy; Office of Science; Office of Basic Energy
Sciences [DE- AC02- 06CH11357]; Chinese NationalScience Foundation
[11175121]; National Basic Research Program of China ( 973 Program)
[2010CB834301]
FX This work and the use of the APS are supported by the U. S. Department
of Energy, Office of Science, Office of Basic Energy Sciences, under
contract No. DE- AC02- 06CH11357. The work is supported by the Chinese
NationalScience Foundation Nos. 11175121, National Basic Research
Program of China ( 973 Program; 2010CB834301).
NR 41
TC 0
Z9 0
U1 1
U2 5
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-239-0
J9 PROC SPIE
PY 2014
VL 9212
AR UNSP 92120E
DI 10.1117/12.2058424
PG 11
WC Engineering, Electrical & Electronic; Optics; Radiology, Nuclear
Medicine & Medical Imaging
SC Engineering; Optics; Radiology, Nuclear Medicine & Medical Imaging
GA BB6BC
UT WOS:000344554400013
ER
PT B
AU Sharitz, RR
Batzer, DP
Pennings, SC
AF Sharitz, Rebecca R.
Batzer, Darold P.
Pennings, Steven C.
BE Batzer, DP
Sharitz, RR
TI Ecology of Freshwater and Estuarine Wetlands: An Introduction
SO ECOLOGY OF FRESHWATER AND ESTUARINE WETLANDS, 2ND EDITION
LA English
DT Article; Book Chapter
C1 [Sharitz, Rebecca R.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA.
[Batzer, Darold P.] Univ Georgia, Dept Entomol, Athens, GA 30602 USA.
[Pennings, Steven C.] Univ Houston, Dept Biol & Biochem, Houston, TX 77204 USA.
RP Sharitz, RR (reprint author), Univ Georgia, Savannah River Ecol Lab, PO Drawer E, Aiken, SC 29802 USA.
NR 0
TC 4
Z9 4
U1 0
U2 4
PU UNIV CALIFORNIA PRESS
PI OAKLAND
PA 155 GRAND AVE, SUITE 400, OAKLAND, CA 94612-3758 USA
BN 978-0-520-95911-8; 978-0-520-27858-5
PY 2014
BP 1
EP 22
PG 22
WC Ecology; Marine & Freshwater Biology
SC Environmental Sciences & Ecology; Marine & Freshwater Biology
GA BB6DM
UT WOS:000344693900002
ER
PT B
AU Batzer, DP
Sharitz, RR
AF Batzer, Darold P.
Sharitz, Rebecca R.
BE Batzer, DP
Sharitz, RR
TI Ecology of Freshwater and Estuarine Wetlands PREFACE
SO ECOLOGY OF FRESHWATER AND ESTUARINE WETLANDS, 2ND EDITION
LA English
DT Editorial Material; Book Chapter
ID SEA-LEVEL RISE; ENGLAND SALT-MARSH; DISSOLVED ORGANIC-MATTER; PRAIRIE
POTHOLE REGION; SPARTINA-ALTERNIFLORA LOISEL; SOUTH-EASTERN AUSTRALIA;
CARP CYPRINUS-CARPIO; GULF-OF-MEXICO; AMPHIBIAN SPECIES RICHNESS;
SOUTHEASTERN UNITED-STATES
C1 [Batzer, Darold P.] Univ Georgia, Dept Entomol, Athens, GA 30602 USA.
[Sharitz, Rebecca R.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA.
RP Batzer, DP (reprint author), Univ Georgia, Dept Entomol, Athens, GA 30602 USA.
NR 2230
TC 0
Z9 0
U1 5
U2 19
PU UNIV CALIFORNIA PRESS
PI OAKLAND
PA 155 GRAND AVE, SUITE 400, OAKLAND, CA 94612-3758 USA
BN 978-0-520-95911-8; 978-0-520-27858-5
PY 2014
BP IX
EP +
PG 67
WC Ecology; Marine & Freshwater Biology
SC Environmental Sciences & Ecology; Marine & Freshwater Biology
GA BB6DM
UT WOS:000344693900001
ER
PT B
AU Sharitz, RR
Pennings, SC
AF Sharitz, Rebecca R.
Pennings, Steven C.
BE Batzer, DP
Sharitz, RR
TI Development of Wetland Plant Communities
SO ECOLOGY OF FRESHWATER AND ESTUARINE WETLANDS, 2ND EDITION
LA English
DT Article; Book Chapter
C1 [Sharitz, Rebecca R.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA.
[Pennings, Steven C.] Univ Houston, Dept Biol & Biochem, Houston, TX 77204 USA.
RP Sharitz, RR (reprint author), Univ Georgia, Savannah River Ecol Lab, PO Drawer E, Aiken, SC 29802 USA.
NR 0
TC 1
Z9 1
U1 0
U2 3
PU UNIV CALIFORNIA PRESS
PI OAKLAND
PA 155 GRAND AVE, SUITE 400, OAKLAND, CA 94612-3758 USA
BN 978-0-520-95911-8; 978-0-520-27858-5
PY 2014
BP 133
EP 150
PG 18
WC Ecology; Marine & Freshwater Biology
SC Environmental Sciences & Ecology; Marine & Freshwater Biology
GA BB6DM
UT WOS:000344693900006
ER
PT J
AU Pracheil, BM
Hogan, JD
Lyons, J
McIntyre, PB
AF Pracheil, Brenda M.
Hogan, J. Derek
Lyons, John
McIntyre, Peter B.
TI Using Hard-Part Microchemistry to Advance Conservation and Management of
North American Freshwater Fishes
SO FISHERIES
LA English
DT Article
ID PLASMA-MASS SPECTROMETRY; LAMPREY PETROMYZON-MARINUS; WESTSLOPE
CUTTHROAT TROUT; OTOLITH TRACE-ELEMENT; EARLY-LIFE-HISTORY;
STABLE-ISOTOPE; YELLOW PERCH; ETHANOL PRESERVATION; STOCK
IDENTIFICATION; POPULATION-STRUCTURE
AB Hard-part microchemistry offers a powerful tool for inferring the environmental history and stock assignment of individual fishes. However, despite the applicability of this technique to a wide range of fisheries conservation and management issues, its use has been restricted to only a small fraction of North American species and inland waters. In this article, we provide freshwater fisheries professionals with an accessible review of methods and applications of hard-part microchemistry techniques. Our objectives are to (1) summarize the science of hard-part microchemistry; (2) provide guidelines for designing hard-part microchemistry studies, including sample sizes, laboratory analyses, statistical techniques, and inferential limitations; and (3) identify conservation and management applications where these techniques may be particularly useful. We argue that strategic use of hard-part microchemistry methods (specifically when they are used in concert with other indirect tracer techniques such as stable isotope chemistry and genetics) can advance fish management and conservation across all stages of fish life history. RESUMENla microquimica de partes duras representa una herramienta poderosa para inferir la historia ambiental y la asignacion de stocks en peces. No obstante, a pesar de la aplicabilidad de esta tecnica a un amplio rango de aspectos de conservacion y manejo de pesquerias, su utilizacion se ha restringido a solo una pequena fraccion de especies de aguas continentales en Norte America. En este trabajo, se presenta una revision accesible de los metodos y aplicaciones de tecnicas de microquimica de partes duras, dirigida a los profesionales en pesquerias de aguas interiores. Los objetivos son: (1) resumir la ciencia de la microquimica de partes duras, (2) proporcionar guias para el diseno de estudios de microquimica de partes duras, incluyendo tamanos de muestra, analisis de laboratorio, tecnicas estadisticas y limitaciones de orden inferencial, y (3) identificar aplicaciones para la conservacion y manejo en las cuales estas tecnicas puedan ser particularmente utiles. Se argumenta que la utilizacion estrategica de metodos de microquimica de partes duras (especificamente cuando estos son usados en conjunto con otras tecnicas de rastreo indirecto como quimica de isotopos estables y genetica) puede abonar a la conservacion y manejo de los peces durante todos los estadios de vida.
C1 [Pracheil, Brenda M.; McIntyre, Peter B.] Univ Wisconsin, Ctr Limnol, Madison, WI 53706 USA.
[Hogan, J. Derek] Texas A&M Univ, Dept Life Sci, Corpus Christi, TX USA.
[Lyons, John] Bur Sci Serv, Wisconsin Dept Nat Resources, Madison, WI USA.
RP Pracheil, BM (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA.
EM pracheilbm@ornl.gov
FU Federal Aid in Sportfish Restoration Project, Study SSQP [F-95-P]; U.S.
Fish and Wildlife Service-Wisconsin State Wildlife Grant
[SWG11-CAT2-002, SWG11-CAT1-005]; Wisconsin Department of Natural
Resources
FX Funding was provided by Federal Aid in Sportfish Restoration Project
F-95-P, Study SSQP; the U.S. Fish and Wildlife Service-Wisconsin State
Wildlife Grant, SWG11-CAT2-002, Study SSGE, and SWG11-CAT1-005, Study
SSFW; and the Wisconsin Department of Natural Resources.
NR 101
TC 8
Z9 9
U1 2
U2 28
PU TAYLOR & FRANCIS INC
PI PHILADELPHIA
PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA
SN 0363-2415
EI 1548-8446
J9 FISHERIES
JI Fisheries
PY 2014
VL 39
IS 10
BP 451
EP 465
DI 10.1080/03632415.2014.937858
PG 15
WC Fisheries
SC Fisheries
GA AS8YN
UT WOS:000344531000004
ER
PT J
AU Ray, J
Yadav, V
Michalak, AM
Waanders, BV
McKenna, SA
AF Ray, J.
Yadav, V.
Michalak, A. M.
Waanders, B. van Bloemen
McKenna, S. A.
TI A multiresolution spatial parameterization for the estimation of
fossil-fuel carbon dioxide emissions via atmospheric inversions
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID ORTHOGONAL MATCHING PURSUIT; GREENHOUSE-GAS EMISSIONS;
SATELLITE-OBSERVATIONS; SIGNAL RECOVERY; CO2 FLUXES; SCALE; MODEL;
REGULARIZATION; COMBUSTION; STRATEGIES
AB The characterization of fossil-fuel CO2 (ffCO(2)) emissions is paramount to carbon cycle studies, but the use of atmospheric inverse modeling approaches for this purpose has been limited by the highly heterogeneous and non-Gaussian spatiotemporal variability of emissions. Here we explore the feasibility of capturing this variability using a low-dimensional parameterization that can be implemented within the context of atmospheric CO2 inverse problems aimed at constraining regional-scale emissions. We construct a multiresolution (i. e., wavelet-based) spatial parameterization for ffCO(2) emissions using the Vulcan inventory, and examine whether such a parameterization can capture a realistic representation of the expected spatial variability of actual emissions. We then explore whether sub-selecting wavelets using two easily available proxies of human activity (images of lights at night and maps of built-up areas) yields a low-dimensional alternative. We finally implement this low-dimensional parameterization within an idealized inversion, where a sparse reconstruction algorithm, an extension of stagewise orthogonal matching pursuit (StOMP), is used to identify the wavelet coefficients. We find that (i) the spatial variability of fossil-fuel emission can indeed be represented using a low-dimensional wavelet-based parameterization, (ii) that images of lights at night can be used as a proxy for sub-selecting wavelets for such analysis, and (iii) that implementing this parameterization within the described inversion framework makes it possible to quantify fossil-fuel emissions at regional scales if fossil-fuel-only CO2 observations are available.
C1 [Ray, J.] Sandia Natl Labs, Livermore, CA 94551 USA.
[Yadav, V.; Michalak, A. M.] Carnegie Inst Sci, Stanford, CA 94305 USA.
[Waanders, B. van Bloemen] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[McKenna, S. A.] IBM Res, Smarter Cities Technol Ctr, Dublin 15, Ireland.
RP Ray, J (reprint author), Sandia Natl Labs, POB 969, Livermore, CA 94551 USA.
EM jairay@sandia.gov
FU Sandia National Laboratories' LDRD (Laboratory Directed Research and
Development) funds - Geosciences Investment Area; U.S. Department of
Energy's National Nuclear Security Administration [DE-AC04-94AL85000]
FX Thanks are due to Sharon Gourdji, Kim Mueller and Abhishek Chatterjee
for fruitful discussions regarding algorithms, the challenges of working
with field observations as well as some of the data used in this work.
This work was supported by Sandia National Laboratories' LDRD
(Laboratory Directed Research and Development) funds, sponsored by the
Geosciences Investment Area. Sandia National Laboratories is a
multi-program laboratory managed and operated by Sandia Corporation, a
wholly owned subsidiary of Lockheed Martin Corporation, for the U.S.
Department of Energy's National Nuclear Security Administration under
contract DE-AC04-94AL85000.
NR 55
TC 3
Z9 3
U1 0
U2 9
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1991-959X
EI 1991-9603
J9 GEOSCI MODEL DEV
JI Geosci. Model Dev.
PY 2014
VL 7
IS 5
BP 1901
EP 1918
DI 10.5194/gmd-7-1901-2014
PG 18
WC Geosciences, Multidisciplinary
SC Geology
GA AT1ZW
UT WOS:000344730900004
ER
PT J
AU Wan, H
Rasch, PJ
Zhang, K
Qian, Y
Yan, H
Zhao, C
AF Wan, H.
Rasch, P. J.
Zhang, K.
Qian, Y.
Yan, H.
Zhao, C.
TI Short ensembles: an efficient method for discerning climate-relevant
sensitivities in atmospheric general circulation models
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID ASIAN SUMMER MONSOON; CLOUD MICROPHYSICS SCHEME; UNCERTAINTY
QUANTIFICATION; WEATHER PREDICTION; CONVECTION SCHEME;
SYSTEMATIC-ERRORS; CMIP5 MODELS; VERSION 3; SIMULATIONS; IMPACT
AB This paper explores the feasibility of an experimentation strategy for investigating sensitivities in fast components of atmospheric general circulation models. The basic idea is to replace the traditional serial-in-time long-term climate integrations by representative ensembles of shorter simulations. The key advantage of the proposed method lies in its efficiency: since fewer days of simulation are needed, the computational cost is less, and because individual realizations are independent and can be integrated simultaneously, the new dimension of parallelism can dramatically reduce the turnaround time in benchmark tests, sensitivities studies, and model tuning exercises. The strategy is not appropriate for exploring sensitivity of all model features, but it is very effective in many situations.
Two examples are presented using the Community Atmosphere Model, version 5. In the first example, the method is used to characterize sensitivities of the simulated clouds to time-step length. Results show that 3-day ensembles of 20 to 50 members are sufficient to reproduce the main signals revealed by traditional 5-year simulations. A nudging technique is applied to an additional set of simulations to help understand the contribution of physics-dynamics interaction to the detected time-step sensitivity. In the second example, multiple empirical parameters related to cloud microphysics and aerosol life cycle are perturbed simultaneously in order to find out which parameters have the largest impact on the simulated global mean top-of-atmosphere radiation balance. It turns out that 12-member ensembles of 10-day simulations are able to reveal the same sensitivities as seen in 4-year simulations performed in a previous study. In both cases, the ensemble method reduces the total computational time by a factor of about 15, and the turnaround time by a factor of several hundred. The efficiency of the method makes it particularly useful for the development of high-resolution, costly, and complex climate models.
C1 [Wan, H.; Rasch, P. J.; Zhang, K.; Qian, Y.; Yan, H.; Zhao, C.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Yan, H.] Lanzhou Univ, Sch Atmospher Sci, Lanzhou 730000, Peoples R China.
RP Wan, H (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM hui.wan@pnnl.gov
RI Zhao, Chun/A-2581-2012; Wan, Hui/J-4701-2013; qian, yun/E-1845-2011;
Yan, Huiping/C-6847-2015; Zhang, Kai/F-8415-2010
OI Zhao, Chun/0000-0003-4693-7213; Zhang, Kai/0000-0003-0457-6368
FU Linus Pauling Distinguished Postdoctoral Fellowship of the Pacific
Northwest National Laboratory (PNNL); US Department of Energy (DOE)
Office of Science as part of the Earth System Modeling Program;
Scientific Discovery through Advanced Computing (SciDAC) Program;
National Science Foundation; DOE [DE-AC05-76RL01830]
FX The authors thank Maoyi Huang, Qing Yang, Steve Ghan, Peter Caldwell,
Heng Xiao, and Ben Yang for their valuable comments and suggestions. We
also thank Cecile Hannay for technical help with the CESM model, and
Gabriel Kooperman for sharing the implementation of nudging in CAM5. H.
Wan is grateful for the support of the Linus Pauling Distinguished
Postdoctoral Fellowship of the Pacific Northwest National Laboratory
(PNNL). The study described in this paper was conducted under the PNNL
Laboratory Directed Research and Development Program. P. J. Rasch was
partially supported by the US Department of Energy (DOE) Office of
Science as part of the Earth System Modeling Program. P. J. Rasch, K.
Zhang, Y. Qian, and C. Zhao acknowledge support from the Scientific
Discovery through Advanced Computing (SciDAC) Program. Computing
resources (ark:/85065/d7wd3xhc) were provided by the Climate Simulation
Laboratory at NCAR's Computational and Information Systems Laboratory,
sponsored by the National Science Foundation and other agencies. PNNL is
operated by Battelle Memorial Institute for DOE under contract no.
DE-AC05-76RL01830.
NR 61
TC 10
Z9 10
U1 1
U2 18
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1991-959X
EI 1991-9603
J9 GEOSCI MODEL DEV
JI Geosci. Model Dev.
PY 2014
VL 7
IS 5
BP 1961
EP 1977
DI 10.5194/gmd-7-1961-2014
PG 17
WC Geosciences, Multidisciplinary
SC Geology
GA AT1ZW
UT WOS:000344730900008
ER
PT J
AU Pau, GSH
Bisht, G
Riley, WJ
AF Pau, G. S. H.
Bisht, G.
Riley, W. J.
TI A reduced-order modeling approach to represent subgrid-scale
hydrological dynamics for land-surface simulations: application in a
polygonal tundra landscape
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID SOIL-MOISTURE VARIABILITY; SPATIAL VARIABILITY; TEMPORAL DYNAMICS;
SYSTEM MODEL; DEPENDENCY; REDUCTION; FIELDS; BARROW; CARBON; ALASKA
AB Existing land surface models (LSMs) describe physical and biological processes that occur over a wide range of spatial and temporal scales. For example, biogeochemical and hydrological processes responsible for carbon (CO2, CH4) exchanges with the atmosphere range from the molecular scale (pore-scale O-2 consumption) to tens of kilometers (vegetation distribution, river networks). Additionally, many processes within LSMs are nonlinearly coupled (e. g., methane production and soil moisture dynamics), and therefore simple linear upscaling techniques can result in large prediction error. In this paper we applied a reduced-order modeling (ROM) technique known as "proper orthogonal decomposition mapping method" that reconstructs temporally resolved fine-resolution solutions based on coarse-resolution solutions. We developed four different methods and applied them to four study sites in a polygonal tundra landscape near Barrow, Alaska. Coupled surface-subsurface isothermal simulations were performed for summer months (June-September) at fine (0.25 m) and coarse (8 m) horizontal resolutions. We used simulation results from three summer seasons (1998-2000) to build ROMs of the 4-D soil moisture field for the study sites individually (single-site) and aggregated (multi-site). The results indicate that the ROM produced a significant computational speedup (> 10(3)) with very small relative approximation error (< 0.1 %) for 2 validation years not used in training the ROM. We also demonstrate that our approach: (1) efficiently corrects for coarse-resolution model bias and (2) can be used for polygonal tundra sites not included in the training data set with relatively good accuracy (< 1.7% relative error), thereby allowing for the possibility of applying these ROMs across a much larger landscape. By coupling the ROMs constructed at different scales together hierarchically, this method has the potential to efficiently increase the resolution of land models for coupled climate simulations to spatial scales consistent with mechanistic physical process representation.
C1 [Pau, G. S. H.; Bisht, G.; Riley, W. J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Pau, GSH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM gpau@lbl.gov
RI Riley, William/D-3345-2015; Pau, George Shu Heng/F-2363-2015
OI Riley, William/0000-0002-4615-2304; Pau, George Shu
Heng/0000-0002-9198-6164
FU Office of Science, Office of Biological and Environmental Research of
the US Department of Energy [DE-AC02-05CH11231]; Next-Generation
Ecosystem Experiments (NGEE-Arctic) project; Office of Science of the US
Department of Energy
FX This research was supported by the Director, Office of Science, Office
of Biological and Environmental Research of the US Department of Energy
under Contract #DE-AC02-05CH11231 as part of the Early Career Research
Program (Pau) and the Terrestrial Ecosystem Science Program, including
the Next-Generation Ecosystem Experiments (NGEE-Arctic) project (Bisht
and Riley). 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 US Department of Energy under
the aforementioned contract.
NR 67
TC 11
Z9 11
U1 2
U2 8
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1991-959X
EI 1991-9603
J9 GEOSCI MODEL DEV
JI Geosci. Model Dev.
PY 2014
VL 7
IS 5
BP 2091
EP 2105
DI 10.5194/gmd-7-2091-2014
PG 15
WC Geosciences, Multidisciplinary
SC Geology
GA AT1ZW
UT WOS:000344730900016
ER
PT J
AU Fletcher, JK
Bretherton, CS
Xiao, H
Sun, R
Han, J
AF Fletcher, J. K.
Bretherton, C. S.
Xiao, H.
Sun, R.
Han, J.
TI Improving subtropical boundary layer cloudiness in the 2011 NCEP GFS
SO GEOSCIENTIFIC MODEL DEVELOPMENT
LA English
DT Article
ID SHALLOW CUMULUS CONVECTION; SINGLE-COLUMN MODEL; GLOBAL FORECAST SYSTEM;
PART I; MARINE STRATOCUMULUS; VERTICAL DIFFUSION; OCEAN MODEL;
PARAMETERIZATION; SIMULATIONS; SCHEME
AB The current operational version of National Centers for Environmental Prediction (NCEP) Global Forecasting System (GFS) shows significant low cloud bias. These biases also appear in the Coupled Forecast System (CFS), which is developed from the GFS. These low cloud biases degrade seasonal and longer climate forecasts, particularly of short-wave cloud radiative forcing, and affect predicted sea surface temperature. Reducing this bias in the GFS will aid the development of future CFS versions and contributes to NCEP's goal of unified weather and climate modelling. Changes are made to the shallow convection and planetary boundary layer parameterisations to make them more consistent with current knowledge of these processes and to reduce the low cloud bias. These changes are tested in a single-column version of GFS and in global simulations with GFS coupled to a dynamical ocean model. In the single-column model, we focus on changing parameters that set the following: the strength of shallow cumulus lateral entrainment, the conversion of updraught liquid water to precipitation and grid-scale condensate, shallow cumulus cloud top, and the effect of shallow convection in stratocumulus environments. Results show that these changes improve the single-column simulations when compared to large eddy simulations, in particular through decreasing the precipitation efficiency of boundary layer clouds. These changes, combined with a few other model improvements, also reduce boundary layer cloud and albedo biases in global coupled simulations.
C1 [Fletcher, J. K.] Monash Univ, Clayton, Vic, Australia.
[Bretherton, C. S.] Univ Washington, Seattle, WA 98195 USA.
[Xiao, H.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Sun, R.] NOAA NWS NCEP EMC, IMSG, Camp Springs, MD USA.
[Han, J.] NOAA NWS NCEP EMC, SRG, Camp Springs, MD USA.
RP Fletcher, JK (reprint author), Monash Univ, Clayton, Vic, Australia.
EM jennifer.fletcher@monash.edu
FU NOAA MAPP as part of the Sc-Cu Climate Process Team [GC10-670a]; NCEP
FX This work is supported by NOAA MAPP grant GC10-670a as part of the Sc-Cu
Climate Process Team. The first author would like to thank Hua-Lu Pan at
NCEP for his support and Peter Blossey at University of Washington for
providing LES runs.
NR 38
TC 0
Z9 0
U1 1
U2 4
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1991-959X
EI 1991-9603
J9 GEOSCI MODEL DEV
JI Geosci. Model Dev.
PY 2014
VL 7
IS 5
BP 2107
EP 2120
DI 10.5194/gmd-7-2107-2014
PG 14
WC Geosciences, Multidisciplinary
SC Geology
GA AT1ZW
UT WOS:000344730900017
ER
PT J
AU Canini, L
Koh, C
Cotler, S
Yurday-Din, C
Cooper, S
Cory, D
Haynes-Williams, V
Winters, MA
Choong, IC
Hoofnagle, JH
Glenn, J
Heller, T
Dahari, H
AF Canini, Laetitia
Koh, Christopher
Cotler, Scott
Yurdaydin, Cihan
Cooper, Stewart
Cory, David
Haynes-Williams, Vanessa
Winters, Mark A.
Choong, Ingrid C.
Hoofnagle, Jay H.
Glenn, Jeffrey
Heller, Theo
Dahari, Harel
TI Understanding hepatitis delta virus dynamics and antiviral efficacy of
the prenylation inhibitor lonafarnib
SO HEPATOLOGY
LA English
DT Meeting Abstract
CT 65th Annual Meeting of the
American-Association-for-the-Study-of-Liver-Diseases
CY NOV 07-11, 2014
CL Boston, MA
SP Amer Assoc Study Liver Dis
C1 [Canini, Laetitia; Dahari, Harel] Los Alamos Natl Lab, Los Alamos, NM USA.
[Koh, Christopher; Haynes-Williams, Vanessa; Hoofnagle, Jay H.; Heller, Theo] NIDDK, Liver Dis Branch, NIH, Bethesda, MD 20892 USA.
[Cotler, Scott; Dahari, Harel] Loyola Univ, Med Ctr, Program Expt & Theoret Modeling, Dept Med,Div Hepatol, Maywood, IL 60153 USA.
[Yurdaydin, Cihan] Ankara Univ, Dept Gastroenterol, TR-06100 Ankara, Turkey.
[Cooper, Stewart] Calif Pacific Med Ctr, Div Gastroenterol, San Francisco, CA USA.
[Cory, David; Winters, Mark A.; Choong, Ingrid C.] Eiger Biopharmaceut, San Carlos, CA USA.
[Glenn, Jeffrey] Stanford Sch Med, Div Gastroenterol & Hepatol, Stanford, CA USA.
NR 0
TC 2
Z9 2
U1 0
U2 2
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0270-9139
EI 1527-3350
J9 HEPATOLOGY
JI Hepatology
PY 2014
VL 60
SU 1
SI SI
MA 234
BP 317A
EP 317A
PG 1
WC Gastroenterology & Hepatology
SC Gastroenterology & Hepatology
GA AS8EW
UT WOS:000344483801168
ER
PT J
AU Echevarria, D
Gutfraind, A
Boodram, B
Major, ME
Cotler, S
Dahari, H
AF Echevarria, Desarae
Gutfraind, Alexander
Boodram, Basmattee
Major, Marian E.
Cotler, Scott
Dahari, Harel
TI Modeling treatment scale up effect on hepatitis C prevalence among
persons who inject drugs in metropolitan Chicago
SO HEPATOLOGY
LA English
DT Meeting Abstract
CT 65th Annual Meeting of the
American-Association-for-the-Study-of-Liver-Diseases
CY NOV 07-11, 2014
CL Boston, MA
SP Amer Assoc Study Liver Dis
C1 [Echevarria, Desarae; Gutfraind, Alexander; Cotler, Scott; Dahari, Harel] Loyola Univ, Med Ctr, Dept Med, Program Expt & Theoret Modeling,Div Hepatol, Maywood, IL 60153 USA.
[Gutfraind, Alexander; Boodram, Basmattee] Univ Illinois, Sch Publ Hlth, Chicago, IL USA.
[Major, Marian E.] US FDA, Div Viral Prod, Ctr Biol Evaluat & Res, Bethesda, MD 20014 USA.
[Dahari, Harel] Los Alamos Natl Lab, Los Alamos, NM USA.
NR 0
TC 0
Z9 0
U1 0
U2 3
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0270-9139
EI 1527-3350
J9 HEPATOLOGY
JI Hepatology
PY 2014
VL 60
SU 1
SI SI
MA 974
BP 671A
EP 672A
PG 2
WC Gastroenterology & Hepatology
SC Gastroenterology & Hepatology
GA AS8EW
UT WOS:000344483803023
ER
PT J
AU Morgan, RL
Blackburn, N
Yartel, AK
Des Jarlais, DC
AF Morgan, Rebecca L.
Blackburn, Natalie
Yartel, Anthony K.
Des Jarlais, Don C.
TI Identifying the disease burden of hepatitis C virus (HCV) infection and
non-injection drug use: a systematic review and meta-analysis of persons
who use drugs but do not inject
SO HEPATOLOGY
LA English
DT Meeting Abstract
CT 65th Annual Meeting of the
American-Association-for-the-Study-of-Liver-Diseases
CY NOV 07-11, 2014
CL Boston, MA
SP Amer Assoc Study Liver Dis
C1 [Morgan, Rebecca L.] Ctr Dis Control & Prevent, Atlanta, GA USA.
[Blackburn, Natalie] Oak Ridge Inst Sci & Educ, Atlanta, GA USA.
[Yartel, Anthony K.] Ctr Dis Control & Prevent Fdn, Atlanta, GA USA.
[Des Jarlais, Don C.] Beth Israel Deaconess Med Ctr, New York, NY 10003 USA.
NR 0
TC 0
Z9 0
U1 1
U2 2
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0270-9139
EI 1527-3350
J9 HEPATOLOGY
JI Hepatology
PY 2014
VL 60
SU 1
SI SI
MA 1502
BP 921A
EP 921A
PG 1
WC Gastroenterology & Hepatology
SC Gastroenterology & Hepatology
GA AS8EW
UT WOS:000344483804065
ER
PT J
AU Ishida, Y
Chung, TL
Imamura, M
Hiraga, N
Canini, L
Uprichard, SL
Perelson, AS
Tateno, C
Dahari, H
Chayama, K
AF Ishida, Yuji
Chung, Tje Lin
Imamura, Michio
Hiraga, Nobuhiko
Canini, Laetitia
Uprichard, Susan L.
Perelson, Alan S.
Tateno, Chise
Dahari, Harel
Chayama, Kazuaki
TI HBV infection in humanized chimeric mice has multiphasic viral kinetics
from inoculation to steady state and an HBV half-life of 1 hr
SO HEPATOLOGY
LA English
DT Meeting Abstract
CT 65th Annual Meeting of the
American-Association-for-the-Study-of-Liver-Diseases
CY NOV 07-11, 2014
CL Boston, MA
SP Amer Assoc Study Liver Dis
C1 [Ishida, Yuji; Imamura, Michio; Hiraga, Nobuhiko; Chayama, Kazuaki] Hiroshima Univ, Inst Biomed & Hlth Sci, Dept Gastroenterol & Metab, Hiroshima, Japan.
[Chung, Tje Lin; Uprichard, Susan L.; Dahari, Harel] Loyola Univ, Med Ctr, Dept Med, Program Expt & Theoret Modeling,Div Hepatol, Maywood, IL 60153 USA.
[Chung, Tje Lin] Goethe Univ Frankfurt, Dept Med, Inst Biostat & Math Modeling, D-60054 Frankfurt, Germany.
[Canini, Laetitia; Perelson, Alan S.; Dahari, Harel] Los Alamos Natl Lab, Los Alamos, NM USA.
[Tateno, Chise] Phoenix Bio Co Ltd, Higashihiroshima, Japan.
NR 0
TC 1
Z9 1
U1 1
U2 3
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0270-9139
EI 1527-3350
J9 HEPATOLOGY
JI Hepatology
PY 2014
VL 60
SU 1
SI SI
MA 1715
BP 1023A
EP 1024A
PG 2
WC Gastroenterology & Hepatology
SC Gastroenterology & Hepatology
GA AS8EW
UT WOS:000344483804277
ER
PT J
AU Sansone, N
Dahari, H
Subramanya, G
Perelson, AS
Uprichard, SL
AF Sansone, Natasha
Dahari, Harel
Subramanya, Gitanjali
Perelson, Alan S.
Uprichard, Susan L.
TI Modeling HCVcc infection reveals new insights into the dynamics that
maintain the in vitro HCV steady state and the mechanisms of action of
the NS5A inhibitor daclatasvir
SO HEPATOLOGY
LA English
DT Meeting Abstract
CT 65th Annual Meeting of the
American-Association-for-the-Study-of-Liver-Diseases
CY NOV 07-11, 2014
CL Boston, MA
SP Amer Assoc Study Liver Dis
C1 [Sansone, Natasha; Dahari, Harel; Subramanya, Gitanjali; Uprichard, Susan L.] Loyola Univ, Med Ctr, Div Hepatol, Program Expt & Theoret Modeling,Dept Med, Maywood, IL 60153 USA.
[Sansone, Natasha; Uprichard, Susan L.] Univ Illinois, Dept Microbiol & Immunol, Chicago, IL 60680 USA.
[Dahari, Harel; Perelson, Alan S.] Los Alamos Natl Lab, Los Alamos, NM USA.
NR 0
TC 2
Z9 2
U1 0
U2 1
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0270-9139
EI 1527-3350
J9 HEPATOLOGY
JI Hepatology
PY 2014
VL 60
SU 1
SI SI
MA 1981
BP 1165A
EP 1165A
PG 1
WC Gastroenterology & Hepatology
SC Gastroenterology & Hepatology
GA AS8EW
UT WOS:000344483805056
ER
PT J
AU DebRoy, S
Hiraga, N
Imamura, M
Canini, L
Pohl, RT
Persiani, S
Uprichard, SL
Perelson, AS
Tateno, C
Chayama, K
Dahari, H
AF DebRoy, Swati
Hiraga, Nobuhiko
Imamura, Michio
Canini, Laetitia
Pohl, Ralf T.
Persiani, Stefano
Uprichard, Susan L.
Perelson, Alan S.
Tateno, Chise
Chayama, Kazuaki
Dahari, Harel
TI HCV kinetics in uPA-SCID chimeric mice with humanized livers during
intravenous silibinin monotherapy
SO HEPATOLOGY
LA English
DT Meeting Abstract
CT 65th Annual Meeting of the
American-Association-for-the-Study-of-Liver-Diseases
CY NOV 07-11, 2014
CL Boston, MA
SP Amer Assoc Study Liver Dis
C1 [DebRoy, Swati] Univ South Carolina Beaufort, Dept Math & Computat Sci, Bluffton, SC USA.
[DebRoy, Swati; Uprichard, Susan L.; Dahari, Harel] Loyola Univ, Med Ctr, Dept Med, Program Expt & Theoret Modeling,Div Hepatol, Maywood, IL 60153 USA.
[Hiraga, Nobuhiko; Imamura, Michio; Chayama, Kazuaki] Hiroshima Univ, Inst Biomed & Hlth Sci, Dept Gastroenterol & Metab, Hiroshima, Japan.
[Canini, Laetitia; Perelson, Alan S.; Dahari, Harel] Los Alamos Natl Lab, Los Alamos, NM USA.
[Pohl, Ralf T.] Madaus GmbH, Rottapharm Madaus, Cologne, Germany.
[Persiani, Stefano] Rottapharm Biotech SRL, Monza, Italy.
[Tateno, Chise] PhoenixBio Co Ltd, Higashihiroshima, Japan.
NR 0
TC 1
Z9 1
U1 1
U2 3
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0270-9139
EI 1527-3350
J9 HEPATOLOGY
JI Hepatology
PY 2014
VL 60
SU 1
SI SI
MA 1995
BP 1171A
EP 1172A
PG 2
WC Gastroenterology & Hepatology
SC Gastroenterology & Hepatology
GA AS8EW
UT WOS:000344483805070
ER
PT J
AU Barman, S
Khutia, A
Koitz, R
Blacque, O
Furukawa, H
Iannuzzi, M
Yaghi, OM
Janiak, C
Hutter, J
Berke, H
AF Barman, Samir
Khutia, Anupam
Koitz, Ralph
Blacque, Olivier
Furukawa, Hiroyasu
Iannuzzi, Marcella
Yaghi, Omar M.
Janiak, Christoph
Hutter, Juerg
Berke, Heinz
TI Synthesis and hydrogen adsorption properties of internally polarized
2,6-azulenedicarboxylate based metal-organic frameworks
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID GAS SORPTION PROPERTIES; H-2 ADSORPTION; COORDINATION POLYMERS; STORAGE;
SITES; DESIGN; BINDING; MOFS; SYSTEMS; TEMPERATURE
AB To improve the binding energy of hydrogen, incorporation of internally polarized organic units into metal-organic frameworks (MOFs) should be a promising strategy. In this study, two novel MOFs composed of internally polarized 2,6-azulenedicarboxylate (2,6-azd), termed MOF-649 [Zn-2(2,6-azd)(2)(dabco), where dabco = 1,4-diazabicyclo[2.2.2]octane] and MOF-650 [Zn4O(2,6-azd)(3)], have been synthesized, and their crystal structures were determined by single-crystal X-ray diffraction analyses. Both materials displayed permanent microporosity, and the Brunauer-Emmett-Teller (BET) surface areas of MOF-649 and MOF-650 are estimated to be 910 and 2630 m(2) g(-1), respectively. The H-2 adsorption measurements showed that MOF-650 adsorbs 14.8 mg g(-1) of hydrogen at 77 K and 1 bar. The polarization effect of the azulene unit in the framework is supported by high initial isosteric heat of adsorption of 6.8 kJ mol(-1) for MOF-650. A detailed computational analysis using density functional theory was carried out in order to investigate the structure and electronic properties of MOF-650 and subsequently to understand its site-specific interactions with hydrogen.
C1 [Barman, Samir; Koitz, Ralph; Blacque, Olivier; Iannuzzi, Marcella; Hutter, Juerg; Berke, Heinz] Univ Zurich, Inst Chem, CH-8057 Zurich, Switzerland.
[Khutia, Anupam; Janiak, Christoph] Univ Dusseldorf, Inst Anorgan Chem & Strukturchem, D-40204 Dusseldorf, Germany.
[Furukawa, Hiroyasu; Yaghi, Omar M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Kavli Energy NanoSci Inst Berkeley, Dept Chem,Mat Sci Div, Berkeley, CA 94720 USA.
[Yaghi, Omar M.] King Fahd Univ Petr & Minerals, Dhahran 34464, Saudi Arabia.
RP Barman, S (reprint author), Univ Zurich, Inst Chem, Winterthurerstr 190, CH-8057 Zurich, Switzerland.
EM furukawa@berkeley.edu; hutter@chem.uzh.ch; hberke@chem.uzh.ch
RI Hutter, Juerg/E-9244-2011; Furukawa, Hiroyasu/C-5910-2008; Blacque,
Olivier/G-9649-2016;
OI Furukawa, Hiroyasu/0000-0002-6082-1738; Blacque,
Olivier/0000-0001-9857-4042; Yaghi, Omar/0000-0002-5611-3325
FU Swiss National Science Foundation (SNSF); University of Zurich; U.S.
Department of Energy, BASF SE (Ludwigshafen, Germany)
FX Funding from the Swiss National Science Foundation (SNSF), University of
Zurich and U.S. Department of Energy, BASF SE (Ludwigshafen, Germany) as
well as generous computing resources from the University of Zurich are
gratefully acknowledged. We thank Kyle Cordova (UC Berkeley) for his
valuable comments.
NR 66
TC 4
Z9 4
U1 7
U2 39
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 2014
VL 2
IS 44
BP 18823
EP 18830
DI 10.1039/c4ta04393f
PG 8
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA AS6OO
UT WOS:000344382800017
ER
PT J
AU Tamimi, MA
Tomkiewicz, AC
Huq, A
McIntosh, S
AF Tamimi, Mazin A.
Tomkiewicz, Alex. C.
Huq, Ashfia
McIntosh, Steven
TI On the link between bulk and surface properties of mixed ion electron
conducting materials Ln(0.5)Sr(0.5)Co(0.8)Fe(0.2)O(3-delta) (Ln = La,
Pr, Nd)
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID OXIDE FUEL-CELLS; SITU NEUTRON-DIFFRACTION; OXYGEN NONSTOICHIOMETRY;
SOFC CATHODES; PEROVSKITE OXIDES; CRYSTAL-STRUCTURE; CATION SIZE;
TRANSPORT; EXCHANGE; TEMPERATURE
AB This work tests the hypothesis that the surface oxygen exchange rate and bulk oxygen anion diffusivity are intrinsically linked in mixed ion-electron conducting oxides. In contrast to other studies that measure these parameters in a linked experiment, this study combines data from in situ neutron powder diffraction (NPD), synchrotron X-ray diffraction (XRD), pulse isotopic oxygen exchange, X-ray photoelectron spectroscopy (XPS), and electrochemical impedance spectroscopy (EIS) studies of Ln(0.5)Sr(0.5)Co(0.8)Fe(0.2)O(3-delta) (Ln = La, Pr, Nd) solid oxide fuel cell (SOFC) cathode materials. The Pr and Nd containing materials were found to exhibit higher oxygen exchange rates and decreased electrode impedance when compared to the La-based material. It is proposed that the observed increase in performance is directly linked to high oxygen mobility in the Pr and Nd containing materials. The oxygen mobility is characterized in terms of the oxygen vacancy concentration and oxygen atomic displacement derived from the NPD data.
C1 [Tamimi, Mazin A.; Tomkiewicz, Alex. C.; McIntosh, Steven] Lehigh Univ, Dept Chem Engn, Bethlehem, PA 18013 USA.
[Huq, Ashfia] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37830 USA.
RP Tamimi, MA (reprint author), Lehigh Univ, Dept Chem Engn, Bethlehem, PA 18013 USA.
EM mcntosh@lehigh.edu
RI Huq, Ashfia/J-8772-2013
OI Huq, Ashfia/0000-0002-8445-9649
FU Office of Basic Energy Sciences of the U.S. Department of Energy; Saudi
Arabian Oil Company, Saudi Aramco; Lehigh University
FX Experimentation at POWGEN was performed as part of the User Program of
the Spallation Neutron Source at Oak Ridge National Laboratory, and
utilization of beamline 11-BM was carried out under the mail-in program
of the Advanced Photon Source, Argonne National Laboratory. Both
facilities are funded by the Office of Basic Energy Sciences of the U.S.
Department of Energy. Mazin Tamimi is a sponsored student supported by
the Saudi Arabian Oil Company, Saudi Aramco, and we would also like to
thank Lehigh University for providing additional funding related to this
research.
NR 58
TC 6
Z9 6
U1 3
U2 39
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 2014
VL 2
IS 44
BP 18838
EP 18847
DI 10.1039/c4ta04760e
PG 10
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA AS6OO
UT WOS:000344382800019
ER
PT J
AU Baggetto, L
Bridges, CA
Jumas, JC
Mullins, DR
Carroll, KJ
Meisner, RA
Crumlin, EJ
Liu, XS
Yang, WL
Veith, GM
AF Baggetto, Loic
Bridges, Craig A.
Jumas, Jean-Claude
Mullins, David R.
Carroll, Kyler J.
Meisner, Roberta A.
Crumlin, Ethan J.
Liu, Xiaosong
Yang, Wanli
Veith, Gabriel M.
TI The local atomic structure and chemical bonding in sodium tin phases
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID NA-ION BATTERIES; LI-ION; ACTIVE/INACTIVE NANOCOMPOSITE; NEGATIVE
ELECTRODES; ZINTL PHASE; THIN-FILMS; INSERTION; ANODES; CHALLENGES;
MECHANISM
AB To understand the electrochemically-derived Na-Sn we have reinvestigated the formation of Na-Sn alloys to identify all the phases which form when x >= 1 (NaxSn) and characterized the local bonding around the Sn atoms with X-ray diffraction, Sn-119 Mossbauer spectroscopy, and X-ray absorption spectroscopies. The results from the well-defined crystallographic materials were compared to the spectroscopic measurements of the local Sn structures in the electrochemically prepared materials. The reinvestigation of the Na-Sn compounds yields a number of new results: (i) Na7Sn3 is a new thermodynamically-stable phase with a rhombohedral structure and R (3) over barm space group; (ii) orthorhombic Na9Sn4 (Cmcm) has relatively slow formation kinetics suggesting why it does not form at room temperature during the electrochemical reaction; (iii) orthorhombic 'Na14.78Sn4' (Pnma), better described as Na16-xSn4, is Na-richer than cubic Na15Sn4 (I (4) over bar 3d). Characterization of electrochemically prepared Na-Sn alloys indicate that, with the exception of Na7Sn3 and Na15Sn4, different crystal structures than similar Na-Sn compositions prepared via classic solid state reactions are formed. These phases are composed of disordered structures characteristic of kinetic-driven solid-state amorphization reactions. In these structures, Sn coordinates in asymmetric environments, which differ significantly from the environments present in Na-Sn model compounds.
C1 [Baggetto, Loic; Carroll, Kyler J.; Meisner, Roberta A.; Veith, Gabriel M.] Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
[Bridges, Craig A.; Mullins, David R.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Jumas, Jean-Claude] Univ Montpellier 2, Inst Charles Gerhardt, F-34095 Montpellier 5, France.
[Crumlin, Ethan J.; Liu, Xiaosong; Yang, Wanli] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Baggetto, L (reprint author), Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
EM loic_baggetto@yahoo.fr; veithgm@ornl.gov
RI Yang, Wanli/D-7183-2011; Baggetto, Loic/D-5542-2017
OI Yang, Wanli/0000-0003-0666-8063; Baggetto, Loic/0000-0002-9029-2363
FU U.S. Department of Energy (DOE), Basic Energy Sciences (BES), Materials
Sciences and Engineering Division; Region Languedoc-Roussillon (France);
Scientific User Facilities Division, Office of Basic Energy Sciences,
U.S. Department of Energy
FX This work was supported by the U.S. Department of Energy (DOE), Basic
Energy Sciences (BES), Materials Sciences and Engineering Division. JCJ
gratefully acknowledges Region Languedoc-Roussillon (France) for the
financial support to the "X-rays and gamma-rays platform" of Universite
Montpellier II in relation with Mossbauer spectroscopy experiments. Dr
Joanna Gorka is gratefully acknowledged for her assistance during the
DSC measurements. Dr Ash. a Huq (AH, SNS, ORNL) is thankfully
acknowledged for carrying out the ND measurement. Research at the SNS
facility was sponsored by the Scientific User Facilities Division,
Office of Basic Energy Sciences, U.S. Department of Energy. LB and GMV
designed the experiments, and carried out the preparation of the thin
film electrodes, model compound powders and XRD measurements. LB, CAB,
and GMV wrote the manuscript. JCJ (UM2) conducted the Mossbauer
spectroscopy characterization. RAM and CAB assisted during XRD
measurements, and CAB performed the XRD and ND data Rietveld
refinements. KJC collected the Sn K-edge XAS data. DRM performed Sn
K-edge EXAFS data analysis. EJC, XL and WY (LBNL) conducted the Na
K-edge and Sn M5,4-edge XAS data acquisition and analysis.
All authors contributed to the review of the manuscript.
NR 42
TC 13
Z9 13
U1 6
U2 24
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 2014
VL 2
IS 44
BP 18959
EP 18973
DI 10.1039/c4ta04356a
PG 15
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA AS6OO
UT WOS:000344382800034
ER
PT J
AU Lin, F
Nordlund, D
Pan, TJ
Markus, IM
Weng, TC
Xin, HLL
Doeff, MM
AF Lin, Feng
Nordlund, Dennis
Pan, Taijun
Markus, Isaac M.
Weng, Tsu-Chien
Xin, Huolin L.
Doeff, Marca M.
TI Influence of synthesis conditions on the surface passivation and
electrochemical behavior of layered cathode materials
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID LITHIUM-ION BATTERIES; CHARGE COMPENSATION MECHANISM; RAY-ABSORPTION
SPECTROSCOPY; TRANSITION-METAL; IN-SITU; OXYGEN; PERFORMANCE; OXIDES;
SOFT
AB Understanding the relationship between materials synthesis and electrochemical behaviors should provide valuable knowledge to further the advancement of lithium-ion batteries. In this work, layered cathode materials {e.g., LiNi0.4Mn0.4Co0.18Ti0.02O2 (NMCs)} were prepared under three different annealing conditions, i.e., 900 degrees C for 6 hours, 8 hours, and 12 hours, respectively. The resulting materials exhibit equivalent crystal structures and morphologies yet likely different surface chemical environments. These materials show distinctively different resistances against the surface passivation/reconstruction (reduction of the transition metals in the layered structure to form rock-salt and/or spinel phases) during electrochemical cycling (2.0-4.7 V vs. Li+/Li). In general, the materials annealed for longer durations exhibited lower tendencies to form the surface passivation layer. Furthermore, the surface passivation became less severe when the electrode materials were cycled under mild conditions, such as slow constant current charging-discharging as opposed to cyclic voltammetry. The present study correlates the synthetic conditions with the surface instability and the electrochemical performance in cathode materials, and provides new insights into improving synthetic protocols for battery materials.
C1 [Lin, Feng; Pan, Taijun; Markus, Isaac M.; Doeff, Marca M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Nordlund, Dennis; Weng, Tsu-Chien] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA.
[Pan, Taijun] Changzhou Univ, Sch Mat Sci & Engn, Changzhou 213164, Peoples R China.
[Markus, Isaac M.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Xin, Huolin L.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
RP Lin, F (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
EM flin@lbl.gov; hxin@bnl.gov; mmdoeff@lbl.gov
RI Nordlund, Dennis/A-8902-2008; Foundry, Molecular/G-9968-2014; Xin,
Huolin/E-2747-2010;
OI Nordlund, Dennis/0000-0001-9524-6908; Xin, Huolin/0000-0002-6521-868X;
Doeff, Marca/0000-0002-2148-8047
FU Assistant Secretary for Energy Efficiency and Renewable Energy, Office
of Vehicle Technologies of the U.S. Department of Energy under the
Batteries for Advanced Transportation Technologies (BATT) Program
[DE-AC02-05CH11231]; U.S. Department of Energy, Office of Basic Energy
Sciences [DE-AC02-98CH10886]; National Center for Electron Microscopy
(NCEM) of the Lawrence Berkeley National Laboratory (LBNL); U.S.
Department of Energy (DOE) [DE-AC02-05CH11231]
FX This work was supported by the Assistant Secretary for Energy Efficiency
and Renewable Energy, Office of Vehicle Technologies of the U.S.
Department of Energy under Contract no. DE-AC02-05CH11231 under the
Batteries for Advanced Transportation Technologies (BATT) Program. The
synchrotron X-ray portions of this research were carried out at the
Stanford Synchrotron Radiation Lightsource (Beam Line 10-1), 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. STEM-EELS experiments were performed
at the Center for Functional Nano-materials, Brookhaven National
Laboratory, which is supported by the U.S. Department of Energy, Office
of Basic Energy Sciences under Contract no. DE-AC02-98CH10886, and at
National Center for Electron Microscopy (NCEM) of the Lawrence Berkeley
National Laboratory (LBNL), which is supported by the U.S. Department of
Energy (DOE) under Contract no. DE-AC02-05CH11231. H. L. X. would like
to acknowledge Dr Haimei Zheng for her advice on the project. F. L.
would like to thank James Wu for his help with the ball-milling machine.
NR 32
TC 7
Z9 7
U1 3
U2 35
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 2014
VL 2
IS 46
BP 19833
EP 19840
DI 10.1039/c4ta04497e
PG 8
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA AT0AG
UT WOS:000344598700034
ER
PT J
AU Kuo, CH
Leon, L
Chung, EJ
Huang, RT
Sontag, TJ
Reardon, CA
Getz, GS
Tirrell, M
Fang, Y
AF Kuo, Cheng-Hsiang
Leon, Lorraine
Chung, Eun Ji
Huang, Ru-Ting
Sontag, Timothy J.
Reardon, Catherine A.
Getz, Godfrey S.
Tirrell, Matthew
Fang, Yun
TI Inhibition of atherosclerosis-promoting microRNAs via targeted
polyelectrolyte complex micelles
SO JOURNAL OF MATERIALS CHEMISTRY B
LA English
DT Article
ID GLYCOL)-POLY(L-LYSINE) BLOCK-COPOLYMER; POLY(ETHYLENE GLYCOL)-SIRNA
CONJUGATE; CELL PENETRATING PEPTIDE; IN-VIVO; PHYSICOCHEMICAL
PROPERTIES; ATHEROSUSCEPTIBLE ENDOTHELIUM; CHOLESTEROL HOMEOSTASIS;
LYSOPHOSPHATIDIC ACID; SIRNA DELIVERY; CORE
AB Polyelectrolyte complex micelles have great potential as gene delivery vehicles because of their ability to encapsulate charged nucleic acids forming a core by neutralizing their charge, while simultaneously protecting the nucleic acids from non-specific interactions and enzymatic degradation. Furthermore, to enhance specificity and transfection efficiency, polyelectrolyte complex micelles can be modified to include targeting capabilities. Here, we describe the design of targeted polyelectrolyte complex micelles containing inhibitors against dys-regulated microRNAs (miRNAs) that promote atherosclerosis, a leading cause of human mortality and morbidity. Inhibition of dys-regulated miRNAs in diseased cells associated with atherosclerosis has resulted in therapeutic efficacy in animal models and has been proposed to treat human diseases. However, the non-specific targeting of microRNA inhibitors via systemic delivery has remained an issue that may cause unwanted side effects. For this reason, we incorporated two different peptide sequences to our miRNA inhibitor containing polyelectrolyte complex micelles. One of the peptides (Arginine-Glutamic Acid-Lysine-Alanine or REKA) was used in another micellar system that demonstrated lesion-specific targeting in a mouse model of atherosclerosis. The other peptide (Valine-Histidine-Proline-Lysine-Glutamine-Histidine-Arginine or VHPKQHR) was identified via phage display and targets vascular endothelial cells through the vascular cell adhesion molecule-1 (VCAM-1). In this study we have tested the in vitro efficacy and efficiency of lesion- and cell-specific delivery of microRNA inhibitors to the cells associated with atherosclerotic lesions via peptide-targeted polyelectrolyte complex micelles. Our results show that REKA-containing micelles (fibrin-targeting) and VHPKQHR-containing micelles (VCAM-1 targeting) can be used to carry and deliver microRNA inhibitors into macrophages and human endothelial cells, respectively. Additionally, the functionality of miRNA inhibitors in cells was demonstrated by analyzing miRNA expression as well as the expression or the biological function of its downstream target protein. Our study provides the first demonstration of targeting dys-regulated miRNAs in atherosclerosis using targeted polyelectrolyte complex micelles and holds promising potential for translational applications.
C1 [Kuo, Cheng-Hsiang; Huang, Ru-Ting; Fang, Yun] Univ Chicago, Dept Med, Chicago, IL 60637 USA.
[Leon, Lorraine; Chung, Eun Ji; Tirrell, Matthew] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA.
[Leon, Lorraine; Tirrell, Matthew] Argonne Natl Lab, Lemont, IL 60439 USA.
[Sontag, Timothy J.; Reardon, Catherine A.; Getz, Godfrey S.] Univ Chicago, Dept Pathol, Chicago, IL 60637 USA.
RP Fang, Y (reprint author), Univ Chicago, Dept Med, 5841 S Maryland Ave, Chicago, IL 60637 USA.
EM mtirrell@uchicago.edu; yfang1@medicine.bsd.uchicago.edu
FU National Science Foundation [CBET-1015026]; National Science Council of
Taiwan [NSC 102-2917-I-564-018]; American Heart Association
[12POST11730002, 11BGIA7080012]; National Institutes of Health
[R00HL103789]
FX This work was supported by the National Science Foundation CBET-1015026
(L.L. and M.T.), National Science Council of Taiwan NSC
102-2917-I-564-018 (C.H.K.), American Heart Association 12POST11730002
(E.J.C.), American Heart Association 11BGIA7080012 (Y.F.) and National
Institutes of Health R00HL103789 (Y.F.).
NR 52
TC 16
Z9 17
U1 7
U2 21
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-750X
EI 2050-7518
J9 J MATER CHEM B
JI J. Mat. Chem. B
PY 2014
VL 2
IS 46
BP 8142
EP 8153
DI 10.1039/c4tb00977k
PG 12
WC Materials Science, Biomaterials
SC Materials Science
GA AT5NQ
UT WOS:000344990000012
PM 25685357
ER
PT J
AU Rhee, M
Light, YK
Yilmaz, S
Adams, PD
Saxena, D
Meagher, RJ
Singh, AK
AF Rhee, Minsoung
Light, Yooli K.
Yilmaz, Suzan
Adams, Paul D.
Saxena, Deepak
Meagher, Robert J.
Singh, Anup K.
TI Pressure stabilizer for reproducible picoinjection in droplet
microfluidic systems
SO LAB ON A CHIP
LA English
DT Article
ID MANIPULATION; COALESCENCE
AB Picoinjection is a promising technique to add reagents into pre-formed emulsion droplets on chip however, it is sensitive to pressure fluctuation, making stable operation of the picoinjector challenging. We present a chip architecture using a simple pressure stabilizer for consistent and highly reproducible picoinjection in multi-step biochemical assays with droplets. Incorporation of the stabilizer immediately upstream of a picoinjector or a combination of injectors greatly reduces pressure fluctuations enabling reproducible and effective picoinjection in systems where the pressure varies actively during operation. We demonstrate the effectiveness of the pressure stabilizer for an integrated platform for on-demand encapsulation of bacterial cells followed by picoinjection of reagents for lysing the encapsulated cells. The pressure stabilizer was also used for picoinjection of multiple displacement amplification (MDA) reagents to achieve genomic DNA amplification of lysed bacterial cells.
C1 [Rhee, Minsoung; Light, Yooli K.; Yilmaz, Suzan; Meagher, Robert J.; Singh, Anup K.] Sandia Natl Labs, Biotechnol & Bioengn Dept, Livermore, CA USA.
[Rhee, Minsoung; Yilmaz, Suzan; Adams, Paul D.; Singh, Anup K.] Joint BioEnergy Inst, Emeryville, CA USA.
[Saxena, Deepak] NYU, Coll Dent, New York, NY USA.
[Adams, Paul D.] Lawrence Berkeley Natl Labs, Biophys Sci Div, Berkeley, CA USA.
RP Meagher, RJ (reprint author), Sandia Natl Labs, Biotechnol & Bioengn Dept, Livermore, CA USA.
EM rmeaghe@sandia.gov; aksingh@sandia.gov
RI Adams, Paul/A-1977-2013
OI Adams, Paul/0000-0001-9333-8219
FU NIDCR [R01 DE020891]; ENIGMA, a LBNL Scientific Focus Area Program; U.S.
Department of Energy, Office of Science, Office of Biological and
Environmental Research; DOE Joint BioEnergy Institute; US DOE, Office of
Science, Office of Biological and Environmental Research [DE-AC02-05
CH11231]; US DOE's Nuclear Security Administration [DE-AC04-94AL85000]
FX We thank David Brekke for his guidance and advice for experiments. We
are also grateful to Victoria VanderNoot, David Heredia, Matthew
Piccini, and Ben Schudel for helpful conversations and extensive help on
laboratory work. Financial support for the work was provided by the
grants: R01 DE020891, funded by the NIDCR; ENIGMA, a LBNL Scientific
Focus Area Program supported by the U.S. Department of Energy, Office of
Science, Office of Biological and Environmental Research; and the DOE
Joint BioEnergy Institute supported by the US DOE, Office of Science,
Office of Biological and Environmental Research through contract
DE-AC02-05 CH11231 (LBNL). Sandia is a multiprogram laboratory operated
by Sandia Corporation, a Lockheed Martin Company, for US DOE's Nuclear
Security Administration under contract DE-AC04-94AL85000.
NR 25
TC 6
Z9 6
U1 6
U2 35
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1473-0197
EI 1473-0189
J9 LAB CHIP
JI Lab Chip
PY 2014
VL 14
IS 23
BP 4533
EP 4539
DI 10.1039/c4lc00823e
PG 7
WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience
& Nanotechnology
SC Biochemistry & Molecular Biology; Chemistry; Science & Technology -
Other Topics
GA AS8WH
UT WOS:000344525400012
PM 25270338
ER
PT B
AU Swaminathan, S
AF Swaminathan, Subramanyam
BE Foster, KA
TI Neurotoxin Structure
SO MOLECULAR ASPECTS OF BOTULINUM NEUROTOXIN, VOL 4
SE Current Topics in Neurotoxicity
LA English
DT Article; Book Chapter
DE Botulinum neurotoxin; Structure-function relationship; Crystal
structures; Domain organization; Substrate-enzyme complex; Exosites
ID SMALL-MOLECULE INHIBITORS; PROTEIN-CONDUCTING CHANNEL;
CARBOHYDRATE-BINDING SITES; LIGHT-CHAIN PROTEASE; H-CC-DOMAIN;
BOTULINUM-NEUROTOXIN; CLOSTRIDIUM-BOTULINUM; TETANUS TOXIN; SUBSTRATE
RECOGNITION; HEAVY-CHAIN
AB The crystal structures of a number of neurotoxins are now available and reveal that all botulinum neurotoxins (BoNTs) have similar structures in general. However, there are differences. These variations and their relation to functional differences will be reviewed. BoNTs A, B, and E have similar structural domains responsible for specific functions in toxicity but have different domain organization. This leads to the difference in speed of onset of toxic effect and its efficacy. Individual domains of botulinum toxins also exhibit differences and these can be correlated to their functional differences. Structural information is also being used in developing countermeasures for botulism. The strategies and their results are discussed.
C1 Brookhaven Natl Lab, Dept Biosci, Upton, NY 11973 USA.
RP Swaminathan, S (reprint author), Brookhaven Natl Lab, Dept Biosci, Upton, NY 11973 USA.
EM swami@bnl.gov
NR 92
TC 1
Z9 1
U1 0
U2 0
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
BN 978-1-4614-9454-6; 978-1-4614-9453-9
J9 CURR TOP NEUROTOX
PY 2014
VL 4
BP 103
EP 127
DI 10.1007/978-1-4614-9454-6_5
D2 10.1007/978-1-4614-9454-6
PG 25
WC Biochemistry & Molecular Biology; Neurosciences; Toxicology
SC Biochemistry & Molecular Biology; Neurosciences & Neurology; Toxicology
GA BB6GC
UT WOS:000344751500005
ER
PT J
AU Liu, HJ
AF Liu, Hongjun
TI Transport diffusivity of propane and propylene inside SWNTs from
equilibrium molecular dynamics simulations
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID WALLED CARBON NANOTUBES; ORGANIC FRAMEWORKS; AIR SEPARATION; MIXTURES;
ADSORPTION; MEMBRANES; NITROGEN; SELECTIVITY; THERMODYNAMICS;
FORMULATION
AB The gas transport of two model gases (propane and propylene) inside the single-walled nanotubes (SWNTs) of various diameters was systematically investigated using the molecular dynamics (MD) simulations. The thermodynamic factor can be obtained directly from equilibrium MD simulations following the newly-minted method proposed by Schnell et al. (Chem. Phys. Lett., 2011, 504, 199-201). This process eliminates the need to implement the tedious and challenging Monte Carlo simulations for the adsorption isotherm, from which the thermodynamic factor is usually extracted. The satisfactory agreement between simulation and the literature is found for self-diffusivity, corrected diffusivity and transport diffusivity, as well as for the thermodynamic factor. The ideal selectivity for a propane-propylene mixture through SWNT membranes could be optimized through adjusting the concentration gradient. This method can be readily extended to the binary and multiple-component systems.
C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
RP Liu, HJ (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
EM liuh1@ornl.gov
RI Liu, Hongjun /A-2100-2012
OI Liu, Hongjun /0000-0003-3326-2640
FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of
Basic Energy Sciences, U.S. Department of Energy; Office of Science of
the U.S. Department of Energy [DE-AC02-05CH11231]
FX We thank Drs. De-en Jiang and Sheng Dai. This work was supported by the
Division of Chemical Sciences, Geosciences, and Biosciences, Office of
Basic Energy Sciences, U.S. Department of Energy. This research used
resources of the National Energy Research Scientific Computing Center
(NERSC), which is supported by the Office of Science of the U.S.
Department of Energy under Contract No. DE-AC02-05CH11231.
NR 32
TC 4
Z9 4
U1 3
U2 19
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 45
BP 24697
EP 24703
DI 10.1039/c4cp03881a
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AS7XI
UT WOS:000344464800009
PM 25315958
ER
PT S
AU Brown, K
Steele, P
Curtis, A
AF Brown, Kristina
Steele, Paul
Curtis, Alden
BE Grim, GP
Barber, HB
TI Radoptic effect in InP and GaN for ultrafast scintillator applications
SO RADIATION DETECTORS: SYSTEMS AND APPLICATIONS XV
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Radiation Detectors - Systems and Applications XV
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE radoptic; scintillator; ultrafast; semiconductor
ID UNDOPED INP; Z-SCAN; RELAXATION; BULK
AB Ultrafast scintillators are the subject of current research in an effort to better resolve ultrafast phenomena in high-energy density physics (HEDP) experiments. Despite extensive research on new scintillator materials, the essential mechanism of energy absorption, excitation, and photo-emission has remained unchanged for over 50 years. Recently, a new class of semiconductor detector has been developed utilizing the radoptic effect, or the change of refractive index when subjected to radiation, in an attempt to record events faster than conventional scintillators.(1) This study was designed for the observation of the radoptic effect by optical interferometry in different semiconductors to experimentally determine the fastest and most sensitive materials for the optimization of current radsensors.
C1 [Brown, Kristina; Curtis, Alden] Natl Secur Technol LLC, POB 809, Los Alamos, NM 87544 USA.
[Steele, Paul] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Brown, K (reprint author), Natl Secur Technol LLC, POB 809, Los Alamos, NM 87544 USA.
EM brownkk@nv.doe.gov
FU National Security Technologies, LLC [DE AC52- 06NA25946]; U. S.
Department of Energy; Site- Directed Research and Development Program
FX We would like to thank Steve Vernon and Rick Stewart ( LLNL) for their
help with radoptic theory, Susan Haynes ( LLNL) for her laboratory
wizardry, Dan Frayer ( NSTec) for help with project management and
organization, and Stuart Baker ( NSTec) for help with project focus and
consultation. This manuscript has been authored by National Security
Technologies, LLC, under Contract No. DE AC52- 06NA25946 with the U. S.
Department of Energy and supported by the Site- Directed Research and
Development Program. 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 11
TC 0
Z9 0
U1 0
U2 1
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-242-0
J9 PROC SPIE
PY 2014
VL 9215
AR UNSP 92150H
DI 10.1117/12.2061135
PG 7
WC Engineering, Electrical & Electronic; Nuclear Science & Technology;
Optics
SC Engineering; Nuclear Science & Technology; Optics
GA BB6AP
UT WOS:000344466500014
ER
PT S
AU Dioszegi, I
Yu, B
Smith, G
Schaknowski, N
Fried, J
Vanier, PE
Salwen, C
Forman, L
AF Dioszegi, I.
Yu, B.
Smith, G.
Schaknowski, N.
Fried, J.
Vanier, P. E.
Salwen, C.
Forman, L.
BE Grim, GP
Barber, HB
TI A New Pad-Based Neutron Detector for Stereo Coded Aperture Thermal
Neutron Imaging
SO RADIATION DETECTORS: SYSTEMS AND APPLICATIONS XV
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Radiation Detectors - Systems and Applications XV
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE Coded aperture imaging; pixel array detector; thermal neutron imaging
AB A new coded aperture thermal neutron imager system has been developed at Brookhaven National Laboratory. The cameras use a new type of position-sensitive He-3-filled ionization chamber, in which an anode plane is composed of an array of pads with independent acquisition channels. The charge is collected on each of the individual 5x5 mm(2) anode pads, (48x48 in total, corresponding to 24x24 cm(2) sensitive area) and read out by application specific integrated circuits (ASICs). The new design has several advantages for coded-aperture imaging applications in the field, compared to the previous generation of wire-grid based neutron detectors. Among these are its rugged design, lighter weight and use of non-flammable stopping gas. The pad-based readout occurs in parallel circuits, making it capable of high count rates, and also suitable to perform data analysis and imaging on an event-by-event basis. The spatial resolution of the detector can be better than the pixel size by using a charge sharing algorithm. In this paper we will report on the development and performance of the new pad-based neutron camera, describe a charge sharing algorithm to achieve sub-pixel spatial resolution and present the first stereoscopic coded aperture images of thermalized neutron sources using the new coded aperture thermal neutron imager system.
C1 [Dioszegi, I.; Yu, B.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Forman, L.] Ion Focus Technol Inc, New York, NY 11764 USA.
RP Dioszegi, I (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM dioszegi@bnl.gov
NR 10
TC 1
Z9 1
U1 1
U2 6
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-242-0
J9 PROC SPIE
PY 2014
VL 9215
AR UNSP 921502
DI 10.1117/12.2061866
PG 10
WC Engineering, Electrical & Electronic; Nuclear Science & Technology;
Optics
SC Engineering; Nuclear Science & Technology; Optics
GA BB6AP
UT WOS:000344466500001
ER
PT S
AU Gehring, AE
Espy, MA
Haines, TJ
Hunter, JF
King, NSP
Manard, MJ
Merrill, FE
Morgan, GL
Sedillo, R
Trainham, R
Urbaitis, AV
Volegov, P
AF Gehring, Amanda E.
Espy, Michelle A.
Haines, Todd J.
Hunter, James F.
King, Nick S. P.
Manard, Manuel J.
Merrill, Frank E.
Morgan, George L.
Sedillo, Robert
Trainham, Rusty
Urbaitis, Algis V.
Volegov, Petr
BE Grim, GP
Barber, HB
TI Determining x-ray spectra of radiographic sources with a Compton
spectrometer
SO RADIATION DETECTORS: SYSTEMS AND APPLICATIONS XV
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Radiation Detectors - Systems and Applications XV
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE Compton spectrometer; x-ray spectrometry; gamma ray spectrometry
AB Flash radiography is a diagnostic with many physics applications, and the characterization of the energy spectra of such sources is of interest. A Compton spectrometer has been proposed to conduct these measurements. Our Compton spectrometer is a 300 kg neodymium-iron magnet constructed by Morgan et al(1), and it is designed to measure spectra in the <1 MeV to 20 MeV range. In this device, the x-rays from a radiographic source are collimated into a narrow beam directed on a converter foil. The forward-selected Compton electrons that are ejected from the foil enter the magnetic field region of the spectrometer. The electrons are imaged on a focal plane, with their position determined as a function of their energy. The x-ray spectrum is then reconstructed. Challenges in obtaining these measurements include limited dose of x-rays and the short pulse duration (about 50 ns) for time-resolved measurements. Here we present energy calibration measurements of the spectrometer using a negative ion source. The resolution of the spectrometer was measured in previous calibration experiments to be the greater of 1% or 0.1 MeV/c(1). The reconstruction of spectra from a bremsstrahlung source and Co-60 source are also presented.
C1 [Gehring, Amanda E.; Espy, Michelle A.; Haines, Todd J.; Hunter, James F.; King, Nick S. P.; Merrill, Frank E.; Morgan, George L.; Sedillo, Robert; Urbaitis, Algis V.; Volegov, Petr] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
[Manard, Manuel J.; Trainham, Rusty] LLC Special Technol Lab, Santa Barbara, CA 93111 USA.
RP Gehring, AE (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
OI Urbaitis, Algis/0000-0002-8626-5987
NR 4
TC 1
Z9 1
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-242-0
J9 PROC SPIE
PY 2014
VL 9215
AR UNSP 921508
DI 10.1117/12.2065588
PG 7
WC Engineering, Electrical & Electronic; Nuclear Science & Technology;
Optics
SC Engineering; Nuclear Science & Technology; Optics
GA BB6AP
UT WOS:000344466500006
ER
PT S
AU Jimenez, ES
Orr, LJ
Morgan, ML
Thompson, KR
AF Jimenez, Edward S.
Orr, Laurel J.
Morgan, Megan L.
Thompson, Kyle R.
BE Grim, GP
Barber, HB
TI Exploring Mediated Reality to Approximate X-ray Attenuation Coefficients
from Radiographs
SO RADIATION DETECTORS: SYSTEMS AND APPLICATIONS XV
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Radiation Detectors - Systems and Applications XV
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
ID SIMPLEX-METHOD
AB Estimation of the x-ray attenuation properties of an object with respect to the energy emitted from the source is a challenging task for traditional Bremsstrahlung sources. This exploratory work attempts to estimate the x-ray attenuation profile for the energy range of a given Bremsstrahlung profile. Previous work has shown that calculating a single effective attenuation value for a polychromatic source is not accurate due to the non-linearities associated with the image formation process. Instead, we completely characterize the imaging system virtually and utilize an iterative search method/constrained optimization technique to approximate the attenuation profile of the object of interest. This work presents preliminary results from various approaches that were investigated. The early results illustrate the challenges associated with these techniques and the potential for obtaining an accurate estimate of the attenuation profile for objects composed of homogeneous materials.
C1 [Jimenez, Edward S.; Orr, Laurel J.; Morgan, Megan L.] Sandia Natl Labs, Software Syst R&D, POB 5800,Mail Stop 0933, Albuquerque, NM 87123 USA.
[Thompson, Kyle R.] Sandia Natl Labs, Struct Dynam & X ray NDE, Albuquerque, NM USA.
RP Jimenez, ES (reprint author), Sandia Natl Labs, Software Syst R&D, POB 5800,Mail Stop 0933, Albuquerque, NM 87123 USA.
EM esjimen@sandia.gov; ljorr@sandia.gov; krthomp@sandia.gov
FU U.S. Department of Energy's National Nueles Security Administration
[DE-A0041-94AL85000]
FX Sandia National Laboratories is a multi-program laboratory managed and
operated by Sandia Corporation. wholly owned subsidiary of Lockheed
Martin Corporation, for the U.S. Department of Energy's National Nueles
Security Administration under contract DE-A0041-94AL85000.
NR 10
TC 0
Z9 0
U1 0
U2 1
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-242-0
J9 PROC SPIE
PY 2014
VL 9215
AR UNSP 92150C
DI 10.1117/12.2064693
PG 12
WC Engineering, Electrical & Electronic; Nuclear Science & Technology;
Optics
SC Engineering; Nuclear Science & Technology; Optics
GA BB6AP
UT WOS:000344466500010
ER
PT S
AU Jimenez, ES
Goodman, EL
Park, R
Orr, LJ
Thompson, KR
AF Jimenez, Edward S.
Goodman, Eric L.
Park, Ryeojin
Orr, Laurel J.
Thompson, Kyle R.
BE Grim, GP
Barber, HB
TI Irregular Large-Scale Computed Tomography on Multiple Graphics
Processors Improves Energy-Efficiency Metrics for Industrial
Applications
SO RADIATION DETECTORS: SYSTEMS AND APPLICATIONS XV
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Radiation Detectors - Systems and Applications XV
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
ID MICROPROCESSORS; DESIGN; POWER
AB This paper will investigate energy-efficiency for various real-world industrial computed-tomography reconstruction algorithms, both CPU-and GPU-based implementations. This work shows that the energy required for a given reconstruction is based on performance and problem size. There are many ways to describe performance and energy efficiency, thus this work will investigate multiple metrics including performance-per-watt, energy-delay product, and energy consumption. This work found that irregular GPU-based approaches(1) realized tremendous savings in energy consumption when compared to CPU implementations while also significantly improving the performance-per-watt and energy-delay product metrics. Additional energy savings and other metric improvement was realized on the GPU-based reconstructions by improving storage I/O by implementing a parallel MIMD-like modularization of the compute and I/O tasks.
C1 [Jimenez, Edward S.; Goodman, Eric L.; Orr, Laurel J.] Sandia Natl Labs, Software Syst R&D, POB 5800,Mail Stop 0933, Albuquerque, NM 87123 USA.
[Thompson, Kyle R.] Sandia Natl Labs, Struct Dynam & X ray NDE, Albuquerque, NM USA.
[Park, Ryeojin] ASML US, Wilton, CT 06897 USA.
RP Jimenez, ES (reprint author), Sandia Natl Labs, Software Syst R&D, POB 5800,Mail Stop 0933, Albuquerque, NM 87123 USA.
EM esjimen@sandia.gov; elgoodm@sandia.gov; rpark@email.arizona.edu;
ljorr@sandia.gov; krthomp@sandia.gov
FU U. S. Department of Energy's National Nuclear Security Administration
[DE- AC04- 94AL85000]
FX Sandia National Laboratories is a multi- program laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U. S. Department of Energy's National
Nuclear Security Administration under contract DE- AC04- 94AL85000.
NR 17
TC 0
Z9 0
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-242-0
J9 PROC SPIE
PY 2014
VL 9215
AR UNSP 921509
DI 10.1117/12.2060721
PG 9
WC Engineering, Electrical & Electronic; Nuclear Science & Technology;
Optics
SC Engineering; Nuclear Science & Technology; Optics
GA BB6AP
UT WOS:000344466500007
ER
PT S
AU Kwiatkowski, K
Douence, V
Bai, YB
Nedrow, P
Mariam, F
Merrill, F
Morris, CL
Saunders, A
AF Kwiatkowski, Kris
Douence, Vincent
Bai, Yibin
Nedrow, Paul
Mariam, Fesseha
Merrill, Frank
Morris, Christopher L.
Saunders, Andy
BE Grim, GP
Barber, HB
TI Ultra-Fast High-Resolution Hybrid and Monolithic CMOS Imagers in
Multi-Frame Radiography
SO RADIATION DETECTORS: SYSTEMS AND APPLICATIONS XV
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Radiation Detectors - Systems and Applications XV
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE ultra-fast proton radiography; burst mode MHz-rate imagers; CMOS hybrid
imager; global electronic shutter time definition
ID SENSOR
AB A new burst-mode, 10-frame, hybrid Si-sensor/CMOS-ROIC FPA chip has been recently fabricated at Teledyne Imaging Sensors. The intended primary use of the sensor is in the multi-frame 800 MeV proton radiography at LANL. The basic part of the hybrid is a large (48x49 mm(2)) stitched CMOS chip of 1100x1100 pixel count, with a minimum shutter speed of 50 ns. The performance parameters of this chip are compared to the first generation 3-frame 0.5-Mpixel custom hybrid imager. The 3-frame cameras have been in continuous use for many years, in a variety of static and dynamic experiments at LANSCE. The cameras can operate with a per-frame adjustable integration time of similar to 120ns-to-1s, and inter-frame time of 250ns to 2s. Given the 80 ms total readout time, the original and the new imagers can be externally synchronized to 0.1-to-5 Hz, 50-ns wide proton beam pulses, and record up to similar to 1000-frame radiographic movies typ. of 3-to-30 minute duration. The performance of the global electronic shutter is discussed and compared to that of a high-resolution commercial front-illuminated monolithic CMOS imager.
C1 [Kwiatkowski, Kris; Nedrow, Paul; Mariam, Fesseha; Merrill, Frank; Morris, Christopher L.; Saunders, Andy] Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA.
[Douence, Vincent; Bai, Yibin] Teledyne Imaging Sensors, Camarillo 93012, CA USA.
RP Kwiatkowski, K (reprint author), Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA.
EM krisk@lanl.gov
OI Morris, Christopher/0000-0003-2141-0255; Merrill,
Frank/0000-0003-0603-735X
FU United States Department of Energy
FX This work was supported by the United States Department of Energy. The
authors wish to thank Paul O'Connor of BNL, Henrik von der Lippe and
Helmuth Spieler of LBNL for their contributions to the projects' CDR's.
NR 17
TC 0
Z9 0
U1 0
U2 3
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-242-0
J9 PROC SPIE
PY 2014
VL 9215
AR UNSP 921506
DI 10.1117/12.2063941
PG 9
WC Engineering, Electrical & Electronic; Nuclear Science & Technology;
Optics
SC Engineering; Nuclear Science & Technology; Optics
GA BB6AP
UT WOS:000344466500005
ER
PT S
AU Perez, I
Bauerle, M
Jimenez, ES
Thompson, KR
AF Perez, Ismael
Bauerle, Matthew
Jimenez, Edward S.
Thompson, Kyle R.
BE Grim, GP
Barber, HB
TI A High-performance GPU-based Forward-projection Model for Computed
Tomography Applications
SO RADIATION DETECTORS: SYSTEMS AND APPLICATIONS XV
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Radiation Detectors - Systems and Applications XV
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
AB This work describes a high-performance approach to radiograph (i.e. X-ray image for this work) simulation for arbitrary objects. The generation of radiographs is more generally known as the forward projection imaging model. The formation of radiographs is very computationally expensive and is not typically approached for large-scale applications such as industrial radiography. The approach described in this work revolves around a single GPU-based implementation that performs the attenuation calculation in a massively parallel environment. Additionally, further performance gains are realized by exploiting the GPU-specific hardware. Early results show that using a single GPU can increase computational performance by three orders-of-magnitude for volumes of 1000(3) voxels and images with 1000(2) pixels.
C1 [Perez, Ismael; Bauerle, Matthew; Jimenez, Edward S.] Sandia Natl Labs, Software Syst R&D, POB 5800,Mail Stop 0933, Albuquerque, NM 87123 USA.
[Thompson, Kyle R.] Sandia Natl Labs, Struct Dynam & Xray NDE, Albuquerque, NM USA.
RP Perez, I (reprint author), Sandia Natl Labs, Software Syst R&D, POB 5800,Mail Stop 0933, Albuquerque, NM 87123 USA.
EM iperez@sandia.gov; mbauerl@sandia.gov; esjimen@sandia.gov;
krthomp@sandia.gov
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; National Institutes of Health: SDSU MARC U*STAR
[5T34GM008303-23]
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. Ismael Perez
was funded in part by a grant from the National Institutes of Health:
SDSU MARC U*STAR 5T34GM008303-23.
NR 5
TC 0
Z9 0
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-242-0
J9 PROC SPIE
PY 2014
VL 9215
AR UNSP 92150A
DI 10.1117/12.2064689
PG 7
WC Engineering, Electrical & Electronic; Nuclear Science & Technology;
Optics
SC Engineering; Nuclear Science & Technology; Optics
GA BB6AP
UT WOS:000344466500008
ER
PT J
AU Merrill, MD
Montalvo, E
Campbell, PG
Wang, YM
Stadermann, M
Baumann, TF
Biener, J
Worsley, MA
AF Merrill, M. D.
Montalvo, E.
Campbell, P. G.
Wang, Y. M.
Stadermann, M.
Baumann, T. F.
Biener, J.
Worsley, M. A.
TI Optimizing supercapacitor electrode density: achieving the energy of
organic electrolytes with the power of aqueous electrolytes
SO RSC ADVANCES
LA English
DT Article
ID CARBON NANOTUBE ELECTRODES; HIGH-SURFACE-AREA; ELECTROCHEMICAL
CAPACITORS; POROUS CARBON; HIGH-PERFORMANCE; PORE-SIZE; GRAPHENE;
STORAGE
AB The value of electrode density is often overlooked in the pursuit of impressive supercapacitor metrics. Low-density electrodes deliver the best performance in terms of gravimetric energy and power densities when only the mass of the electrodes is considered. However, energy and power values with respect to the total system mass (electrode + electrolyte) or volume are more meaningful for practical application. Low-density electrodes are impractical due to both large mass contributions by the electrolyte and large system volumes. Here, we use highly compressible graphene aerogel electrodes (up to 87.5% volumetric compression) to systematically characterize the effects of electrode density on energy and power metrics. The results reveal that electrode density is similar to electrode thickness in that both parameters have a squared effect on power. Accounting for the aqueous electrolyte's mass lowered the gravimetric energy and power by almost an order of magnitude for 0.144 g cm(-3) dense carbon electrodes but only by a factor of 1.5 when the electrode density was increased to 1.15 g cm(-3) through compression. The high-density electrodes achieve 8 W h kg(-1), 70 000 W kg(-1), and 144 F cm(-3) in a symmetric electrode setup after factoring in the aqueous electrolyte's mass. Therefore, in the pursuit of high energy per mass, it can be just as effective to lower the system's mass with smaller electrolyte fractions as it is to use electrolytes with larger voltage ranges. High electrode densities allow aqueous electrolyte supercapacitors to attain energy densities per the system mass comparable to those of commercially-available organic electrolyte supercapacitors while maintaining 10-100x greater power.
C1 [Merrill, M. D.; Montalvo, E.; Campbell, P. G.; Wang, Y. M.; Stadermann, M.; Baumann, T. F.; Biener, J.; Worsley, M. A.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94551 USA.
RP Worsley, MA (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94551 USA.
EM worsley1@llnl.gov
RI Wang, Yinmin (Morris)/F-2249-2010;
OI Wang, Yinmin (Morris)/0000-0002-7161-2034; Campbell,
Patrick/0000-0003-0167-4624; Worsley, Marcus/0000-0002-8012-7727
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; DOE Office of Energy Efficiency and Renewable
Energy; Lawrence Livermore National Laboratory Directed Research and
Development (LDRD) [12-ERD-035, 13-LW-099]
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. Funding was provided by the DOE Office of Energy
Efficiency and Renewable Energy, and the Lawrence Livermore National
Laboratory Directed Research and Development (LDRD) Grant 12-ERD-035 and
13-LW-099.
NR 25
TC 6
Z9 6
U1 3
U2 27
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 2014
VL 4
IS 81
BP 42942
EP 42946
DI 10.1039/c4ra08114e
PG 5
WC Chemistry, Multidisciplinary
SC Chemistry
GA AS8WI
UT WOS:000344525500022
ER
PT J
AU Bachand, M
Bouxsein, NF
Cheng, S
von Hoyningen-Huene, SJ
Stevens, MJ
Bachand, GD
AF Bachand, M.
Bouxsein, N. F.
Cheng, S.
von Hoyningen-Huene, S. J.
Stevens, M. J.
Bachand, G. D.
TI Directed self-assembly of 1D microtubule nano-arrays
SO RSC ADVANCES
LA English
DT Article
ID DYNAMIC INSTABILITY; ELECTRIC-FIELDS; MOTOR PROTEINS; NANOPARTICLE;
TEMPLATES; NANOWIRES; BEHAVIOR; KINESIN; DEVICES; BUNDLES
AB Microtubules (MTs) are biological polymer filaments that display unique polymerization dynamics, and serve as inspiration for developing synthetic nanomaterials that exhibit similar assembly-derived behaviours. Here we explore an assembly process in which extended 1D nano-arrays (NAs) are formed through the directed, head-to-tail self-assembly of MT filaments. In particular, we demonstrate that the elongation of NAs over time is due to directed self-assembly of MTs by a process that is limited by diffusion and follows second-order rate kinetics. We further described a mechanism, both experimental and through molecular dynamics simulations, where stable junctions among MT building blocks are formed by alignment and adhesion of opposing filament ends, which is followed by formation of a stable junction through the incorporation of free tubulin and the removal of lattice vacancies. The fundamental principles described in this directed self-assembly process provide a promising basis for new approaches to manufacturing complex, heterostructured nanocomposites.
C1 [Bachand, M.] Sandia Natl Labs, Dept Nanobiol, Albuquerque, NM 87185 USA.
[Bouxsein, N. F.; von Hoyningen-Huene, S. J.; Bachand, G. D.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA.
[Cheng, S.; Stevens, M. J.] Sandia Natl Labs, Dept Computat Mat & Data Sci, Albuquerque, NM 87185 USA.
RP Bachand, GD (reprint author), Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800, Albuquerque, NM 87185 USA.
EM gdbacha@sandia.gov
OI Cheng, Shengfeng/0000-0002-6066-2968
FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Materials Sciences and Engineering [KC0203010]; U.S. Department of
Energy's National Nuclear Security Administration [DE-AC04-94AL85000]
FX We sincerely thank Drs Erik Spoerke and Darryl Sasaki for their
insightful comments and discussions regarding the content of this
manuscript. This research was supported by the U.S. Department of
Energy, Office of Basic Energy Sciences, Division of Materials Sciences
and Engineering, Project KC0203010. 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-AC04-94AL85000.
NR 48
TC 3
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U1 6
U2 24
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 2014
VL 4
IS 97
BP 54641
EP 54649
DI 10.1039/c4ra11765d
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA AT0AY
UT WOS:000344600400062
ER
PT S
AU Clifton, A
Wagner, R
AF Clifton, A.
Wagner, Rozenn
BE Bak, C
Bechmann, A
Bingol, F
Dellwik, E
Dimitrov, N
Giebel, G
Hansen, MOL
Jensen, DJ
Larsen, G
Madsen, HA
Mann, J
Natarajan, A
Rathmann, O
Sathe, A
Sorensen, JN
Sorensen, NN
TI Accounting for the effect of turbulence on wind turbine power curves
SO SCIENCE OF MAKING TORQUE FROM WIND 2014 (TORQUE 2014)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 5th Science of Making Torque from Wind Conference
CY JUN 18-20, 2014
CL Tech Univ Denmark, Copenhagen, DENMARK
SP European Acad Wing Energy
HO Tech Univ Denmark
AB Wind turbines require methods to predict the power produced as inflow conditions change. We compare the standard method of binning with a turbulence renormalization method and a machine learning approach using a data set derived from simulations. The method of binning is unable to cope with changes in turbulence; the turbulence renormalization method cannot account for changes in shear other than by using the the equivalent wind speed, which is derived from wind speed data at multiple heights in the rotor disk. The machine learning method is best able to predict the power as conditions change, and could be modified to include additional inflow variables such as veer or yaw error.
C1 [Clifton, A.] Natl Renewable Energy Lab, Natl Wind Technol Ctr, Golden, CO 80401 USA.
RP Clifton, A (reprint author), Natl Renewable Energy Lab, Natl Wind Technol Ctr, Golden, CO 80401 USA.
EM andrew.clifton@nrel.gov
NR 10
TC 2
Z9 2
U1 1
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 2014
VL 524
AR 012109
DI 10.1088/1742-6596/524/1/012109
PG 11
WC Energy & Fuels; Engineering, Mechanical; Physics, Applied
SC Energy & Fuels; Engineering; Physics
GA BB5XX
UT WOS:000344193600109
ER
PT S
AU Fleming, PA
Scholbrock, AK
Jehu, A
Davoust, S
Osler, E
Wright, AD
Clifton, A
AF Fleming, P. A.
Scholbrock, A. K.
Jehu, A.
Davoust, S.
Osler, E.
Wright, A. D.
Clifton, A.
BE Bak, C
Bechmann, A
Bingol, F
Dellwik, E
Dimitrov, N
Giebel, G
Hansen, MOL
Jensen, DJ
Larsen, G
Madsen, HA
Mann, J
Natarajan, A
Rathmann, O
Sathe, A
Sorensen, JN
Sorensen, NN
TI Field-test results using a nacelle-mounted lidar for improving wind
turbine power capture by reducing yaw misalignment
SO SCIENCE OF MAKING TORQUE FROM WIND 2014 (TORQUE 2014)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 5th Science of Making Torque from Wind Conference
CY JUN 18-20, 2014
CL Tech Univ Denmark, Copenhagen, DENMARK
SP European Acad Wing Energy
HO Tech Univ Denmark
AB In this paper, a nacelle-mounted lidar was used to improve the yaw alignment of an experimental wind turbine. Using lidar-recorded data during normal operation, an error correction value for the nacelle vane wind direction measurement used in the yaw controller was determined. A field test was then conducted in which the turbine was operated with and without the correction applied to the yaw controller. Results demonstrated a significant increase in power capture. In addition, the study includes analysis on the impacts on loading of applying this yaw correction. The study demonstrates a successful application in field testing of using a nacelle-mounted lidar to improve turbine performance.
C1 [Fleming, P. A.; Scholbrock, A. K.; Wright, A. D.; Clifton, A.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Fleming, PA (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM paul.fleming@nrel.gov
OI Fleming, Paul/0000-0001-8249-2544
NR 14
TC 3
Z9 3
U1 1
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 2014
VL 524
AR 012002
DI 10.1088/1742-6596/524/1/012002
PG 10
WC Energy & Fuels; Engineering, Mechanical; Physics, Applied
SC Energy & Fuels; Engineering; Physics
GA BB5XX
UT WOS:000344193600002
ER
PT S
AU Moriarty, P
Rodrigo, JS
Gancarski, P
Chuchfield, M
Naughton, JW
Hansen, KS
Machefaux, E
Maguire, E
Castellani, F
Terzi, L
Breton, SP
Ueda, Y
AF Moriarty, Patrick
Rodrigo, Javier Sanz
Gancarski, Pawel
Chuchfield, Matthew
Naughton, Jonathan W.
Hansen, Kurt S.
Machefaux, Ewan
Maguire, Eoghan
Castellani, Francesco
Terzi, Ludovico
Breton, Simon-Philippe
Ueda, Yuko
BE Bak, C
Bechmann, A
Bingol, F
Dellwik, E
Dimitrov, N
Giebel, G
Hansen, MOL
Jensen, DJ
Larsen, G
Madsen, HA
Mann, J
Natarajan, A
Rathmann, O
Sathe, A
Sorensen, JN
Sorensen, NN
TI IEA-Task 31 WAKEBENCH: Towards a protocol for wind farm flow model
evaluation. Part 2: Wind farm wake models
SO SCIENCE OF MAKING TORQUE FROM WIND 2014 (TORQUE 2014)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 5th Science of Making Torque from Wind Conference
CY JUN 18-20, 2014
CL Tech Univ Denmark, Copenhagen, DENMARK
SP European Acad Wing Energy
HO Tech Univ Denmark
ID COMPUTATIONAL FLUID-DYNAMICS; AERODYNAMICS; VALIDATION
AB Researchers within the International Energy Agency (IEA) Task 31: Wakebench have created a framework for the evaluation of wind farm flow models operating at the microscale level. The framework consists of a model evaluation protocol integrated with a web-based portal for model benchmarking (www.windbench.net). This paper provides an overview of the building-block validation approach applied to wind farm wake models, including best practices for the benchmarking and data processing procedures for validation datasets from wind farm SCADA and meteorological databases. A hierarchy of test cases has been proposed for wake model evaluation, from similarity theory of the axisymmetric wake and idealized infinite wind farm, to single-wake wind tunnel (UMN-EPFL) and field experiments (Sexbierum), to wind farm arrays in offshore (Horns Rev, Lillgrund) and complex terrain conditions (San Gregorio). A summary of results from the axisymmetric wake, Sexbierum, Horns Rev and Lillgrund benchmarks are used to discuss the state-of-the-art of wake model validation and highlight the most relevant issues for future development.
C1 [Moriarty, Patrick] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Rodrigo, Javier Sanz; Gancarski, Pawel; Chuchfield, Matthew] CENER Natl Renewable Energy Ctr, Golden, CO USA.
[Naughton, Jonathan W.] Univ Wyoming, Laramie, WY 82071 USA.
[Hansen, Kurt S.; Machefaux, Ewan] Tech Univ Denmark, Lyngby, Denmark.
[Maguire, Eoghan] Vattenfall, Solna, Sweden.
[Castellani, Francesco] Univ Perugia, I-06100 Perugia, Italy.
[Terzi, Ludovico] Sorgenia Green, London, England.
[Breton, Simon-Philippe] Uppsala Univ, S-75105 Uppsala, Sweden.
[Ueda, Yuko] Wind Energy Inst Tokyo, Tokyo, Japan.
RP Moriarty, P (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM patrick.moriarty@nrel.gov
OI Castellani, Francesco/0000-0002-4748-8256; Maguire,
Eoghan/0000-0002-1004-1979; Sanz Rodrigo, Javier/0000-0003-0291-6429
FU IEA- Wind
FX The authors would like to acknowledge the IEA- Wind for the financial
support to manage Task 31. We are also grateful to DONG Energy and
Vattenfall for the provision of data from the Horns Rev and Lillgrund
wind farms. Finally, we would like to acknowledge the anonymous
benchmark participants for their contributions.
NR 34
TC 4
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U1 2
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 2014
VL 524
AR UNSP 012185
DI 10.1088/1742-6596/524/1/012185
PG 11
WC Energy & Fuels; Engineering, Mechanical; Physics, Applied
SC Energy & Fuels; Engineering; Physics
GA BB5XX
UT WOS:000344193600184
ER
PT S
AU Ning, A
Dykes, K
AF Ning, A.
Dykes, K.
BE Bak, C
Bechmann, A
Bingol, F
Dellwik, E
Dimitrov, N
Giebel, G
Hansen, MOL
Jensen, DJ
Larsen, G
Madsen, HA
Mann, J
Natarajan, A
Rathmann, O
Sathe, A
Sorensen, JN
Sorensen, NN
TI Understanding the Benefits and Limitations of Increasing Maximum Rotor
Tip Speed for Utility-Scale Wind Turbines
SO SCIENCE OF MAKING TORQUE FROM WIND 2014 (TORQUE 2014)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 5th Science of Making Torque from Wind Conference
CY JUN 18-20, 2014
CL Tech Univ Denmark, Copenhagen, DENMARK
SP European Acad Wing Energy
HO Tech Univ Denmark
AB For utility-scale wind turbines, the maximum rotor rotation speed is generally constrained by noise considerations. Innovations in acoustics and/or siting in remote locations may enable future wind turbine designs to operate with higher tip speeds. Wind turbines designed to take advantage of higher tip speeds are expected to be able to capture more energy and utilize lighter drivetrains because of their decreased maximum torque loads. However, the magnitude of the potential cost savings is unclear, and the potential trade-offs with rotor and tower sizing are not well understood. A multidisciplinary, system-level framework was developed to facilitate wind turbine and wind plant analysis and optimization. The rotors, nacelles, and towers of wind turbines are optimized for minimum cost of energy subject to a large number of structural, manufacturing, and transportation constraints. These optimization studies suggest that allowing for higher maximum tip speeds could result in a decrease in the cost of energy of up to 5% for land-based sites and 2% for offshore sites when using current technology. Almost all of the cost savings are attributed to the decrease in gearbox mass as a consequence of the reduced maximum rotor torque. Although there is some increased energy capture, it is very minimal (less than 0.5%). Extreme increases in tip speed are unnecessary; benefits for maximum tip speeds greater than 100-110 m/s are small to nonexistent.
C1 [Ning, A.; Dykes, K.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Ning, A (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM andrew.ning@nrel.gov
OI Ning, Andrew/0000-0003-2190-823X
NR 23
TC 2
Z9 2
U1 0
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 524
AR 012087
DI 10.1088/1742-6596/524/1/012087
PG 10
WC Energy & Fuels; Engineering, Mechanical; Physics, Applied
SC Energy & Fuels; Engineering; Physics
GA BB5XX
UT WOS:000344193600087
ER
PT S
AU Owens, BC
Griffith, DT
AF Owens, B. C.
Griffith, D. T.
BE Bak, C
Bechmann, A
Bingol, F
Dellwik, E
Dimitrov, N
Giebel, G
Hansen, MOL
Jensen, DJ
Larsen, G
Madsen, HA
Mann, J
Natarajan, A
Rathmann, O
Sathe, A
Sorensen, JN
Sorensen, NN
TI Aeroelastic Stability Investigations for Large-scale Vertical Axis Wind
Turbines
SO SCIENCE OF MAKING TORQUE FROM WIND 2014 (TORQUE 2014)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 5th Science of Making Torque from Wind Conference
CY JUN 18-20, 2014
CL Tech Univ Denmark, Copenhagen, DENMARK
SP European Acad Wing Energy
HO Tech Univ Denmark
AB The availability of offshore wind resources in coastal regions, along with a high concentration of load centers in these areas, makes offshore wind energy an attractive opportunity for clean renewable electricity production. High infrastructure costs such as the offshore support structure and operation and maintenance costs for offshore wind technology, however, are significant obstacles that need to be overcome to make offshore wind a more cost-effective option. A vertical-axis wind turbine (VAWT) rotor configuration offers a potential transformative technology solution that significantly lowers cost of energy for offshore wind due to its inherent advantages for the offshore market. However, several potential challenges exist for VAWTs and this paper addresses one of them with an initial investigation of dynamic aeroelastic stability for large-scale, multi-megawatt VAWTs. The aeroelastic formulation and solution method from the BLade Aeroelastic STability Tool (BLAST) for HAWT blades was employed to extend the analysis capability of a newly developed structural dynamics design tool for VAWTs. This investigation considers the effect of configuration geometry, material system choice, and number of blades on the aeroelastic stability of a VAWT, and provides an initial scoping for potential aeroelastic instabilities in large-scale VAWT designs.
C1 [Owens, B. C.; Griffith, D. T.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Owens, BC (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM bcowens@sandia.gov; dgriffi@sandia.gov
NR 10
TC 0
Z9 0
U1 0
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 2014
VL 524
AR 012092
DI 10.1088/1742-6596/524/1/012092
PG 10
WC Energy & Fuels; Engineering, Mechanical; Physics, Applied
SC Energy & Fuels; Engineering; Physics
GA BB5XX
UT WOS:000344193600092
ER
PT J
AU Hyman, JD
Gable, CW
Painter, SL
Makedonska, N
AF Hyman, Jeffrey D.
Gable, Carl W.
Painter, Scott L.
Makedonska, Nataliia
TI CONFORMING DELAUNAY TRIANGULATION OF STOCHASTICALLY GENERATED THREE
DIMENSIONAL DISCRETE FRACTURE NETWORKS: A FEATURE REJECTION ALGORITHM
FOR MESHING STRATEGY
SO SIAM JOURNAL ON SCIENTIFIC COMPUTING
LA English
DT Article
DE Darcy flow; Delaunay triangulation; discrete fracture network (DFN);
fractured media; mesh generation; numerical algorithm
ID LOGICALLY RECTANGULAR GRIDS; HYBRID MORTAR METHOD; NATURAL
DISCRETIZATIONS; SOLVING FLOW; TRANSPORT; MODEL; MEDIA; REPRESENTATION;
PERMEABILITY; METHODOLOGY
AB We introduce the feature rejection algorithm for meshing (FRAM) to generate a high quality conforming Delaunay triangulation of a three-dimensional discrete fracture network (DFN). The geometric features (fractures, fracture intersections, spaces between fracture intersections, etc.) that must be resolved in a stochastically generated DFN typically span a wide range of spatial scales and make the efficient automated generation of high-quality meshes a challenge. To deal with these challenges, many previous approaches often deformed the DFN to align its features with a mesh through various techniques including redefining lines of intersection as stair step functions and distorting the fracture edges. In contrast, FRAM generates networks on which high-quality meshes occur automatically by constraining the generation of the network. The cornerstone of FRAM is prescribing a minimum length scale and then restricting the generation of the network to only create features of that size and larger. The process is fully automated, meaning no adjustments of the mesh are performed, and the meshing of the individual fractures has been parallelized. Reported mesh statistics show that the computational meshes generated using FRAM are of high quality. Furthermore, the method does not require solving additional systems of linear equations which is needed if a nonconforming mesh is used. Details of the FRAM approach are provided, including its mathematical underpinnings and an algorithm for its implementation. We demonstrate the method's applicability by generating a DFN with similar statistics as the fractured granite at the Forsmark site in Sweden containing 6 700 fractures, and also solve the fully saturated Darcy flow equations to show the quality of the flow solutions which result from computation on the mesh.
C1 [Hyman, Jeffrey D.; Gable, Carl W.; Painter, Scott L.; Makedonska, Nataliia] Los Alamos Natl Lab, Computat Earth Sci EES 16, Los Alamos, NM 87544 USA.
RP Hyman, JD (reprint author), Los Alamos Natl Lab, Computat Earth Sci EES 16, Los Alamos, NM 87544 USA.
EM jhyman@lanl.gov; gabl@lanl.gov; spainter@lanl.gov; nataliia@lanl.gov
RI Painter, Scott/C-2586-2016;
OI Painter, Scott/0000-0002-0901-6987; Gable, Carl/0000-0001-7063-0815;
Makedonska, Nataliia/0000-0002-4183-5755; Hyman, Jeffrey
/0000-0002-4224-2847
FU Used Fuel Disposition Campaign, Office of Nuclear Energy, of the U.S.
Department of Energy
FX This work was funded by the Used Fuel Disposition Campaign, Office of
Nuclear Energy, of the U.S. Department of Energy.
NR 49
TC 16
Z9 16
U1 2
U2 4
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 1064-8275
EI 1095-7197
J9 SIAM J SCI COMPUT
JI SIAM J. Sci. Comput.
PY 2014
VL 36
IS 4
BP A1871
EP A1894
DI 10.1137/130942541
PG 24
WC Mathematics, Applied
SC Mathematics
GA AT2EE
UT WOS:000344743800023
ER
PT J
AU Wei, HY
Chen, L
Huang, YQ
Zheng, B
AF Wei, Huayi
Chen, Long
Huang, Yunqing
Zheng, Bin
TI ADAPTIVE MESH REFINEMENT AND SUPERCONVERGENCE FOR TWO-DIMENSIONAL
INTERFACE PROBLEMS
SO SIAM JOURNAL ON SCIENTIFIC COMPUTING
LA English
DT Article
DE body-fitted mesh; adaptive mesh refinement; superconvergence
ID FINITE-ELEMENT-METHOD; LOCALLY MODIFIED TRIANGULATIONS; GENERATION;
ALGORITHM; DOMAINS
AB Adaptive mesh refinement and the Borgers algorithm are combined to generate a body-fitted mesh which can resolve the interface with fine geometric details. Standard linear finite element method based on such body-fitted meshes is applied to the elliptic interface problem and proven to be superclose to the linear interpolation of the exact solution. Based on this superconvergence result, a maximal norm error estimate of order one and half is obtained without using the discrete maximum principle. The data structure and meshing algorithms, including local refinement and coarsening, are very simple. In particular, no tree structure is needed. An efficient solver for solving the resulting linear algebraic systems is also developed and shown be robust with respect to both the problem size and the jump of the diffusion coefficients.
C1 [Wei, Huayi; Huang, Yunqing] Xiangtan Univ, Sch Math & Computat Sci,Minist Educ, Key Lab Intelligent Comp & Informat Proc Comp, Hunan Key Lab Computat & Simulat Sci & Engn, Xiangtan 411105, Hunan, Peoples R China.
[Chen, Long] Univ Calif Irvine, Dept Math, Irvine, CA 92697 USA.
[Zheng, Bin] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Wei, HY (reprint author), Xiangtan Univ, Sch Math & Computat Sci,Minist Educ, Key Lab Intelligent Comp & Informat Proc Comp, Hunan Key Lab Computat & Simulat Sci & Engn, Xiangtan 411105, Hunan, Peoples R China.
EM huayiwei1984@gmail.com; chenlong@math.uci.edu; huangyq@xtu.edu.cn;
binzhengmath@gmail.com
FU NSFC [11301449, 11031006]; Specialized Research Fund for the Doctoral
Program of Higher Education [20134301120003]; UC Irvine Academic Senate
Council on Research, Computing and Libraries (CORCL) award; Program for
Changjiang Scholars and Innovative Research Team in University
[IRT1179]; International Science and Technology Cooperation Program of
China [2010DFR00700]
FX The first author was supported by the NSFC (grant 11301449), in part by
the Specialized Research Fund for the Doctoral Program of Higher
Education (grant 20134301120003), and in part by a 2010-2011 UC Irvine
Academic Senate Council on Research, Computing and Libraries (CORCL)
award. The third author was supported by the NSFC (grant 11031006), the
Program for Changjiang Scholars and Innovative Research Team in
University (grant IRT1179), and the International Science and Technology
Cooperation Program of China (grant 2010DFR00700).
NR 34
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Z9 2
U1 1
U2 5
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 1064-8275
EI 1095-7197
J9 SIAM J SCI COMPUT
JI SIAM J. Sci. Comput.
PY 2014
VL 36
IS 4
BP A1478
EP A1499
DI 10.1137/120866622
PG 22
WC Mathematics, Applied
SC Mathematics
GA AT2EE
UT WOS:000344743800006
ER
PT J
AU Osei-Kuffuor, D
Fattebert, JL
AF Osei-Kuffuor, Daniel
Fattebert, Jean-Luc
TI A SCALABLE O(N) ALGORITHM FOR LARGE-SCALE PARALLEL FIRST-PRINCIPLES
MOLECULAR DYNAMICS SIMULATIONS
SO SIAM JOURNAL ON SCIENTIFIC COMPUTING
LA English
DT Article
DE linear scaling algorithms; density functional theory; gram matrix
inverse; large scale molecular dynamics; parallel approximate inverse
ID APPROXIMATE-INVERSE PRECONDITIONERS; DENSITY-FUNCTIONAL THEORY;
ELECTRONIC-STRUCTURE CALCULATIONS; NONSYMMETRIC LINEAR-SYSTEMS; SPARSE
MATRICES; BOUNDS
AB Traditional algorithms for first-principles molecular dynamics (FPMD) simulations only gain a modest capability increase from current petascale computers, due to their O(N-3) complexity and their heavy use of global communications. To address this issue, we are developing a truly scalable O(N) complexity FPMD algorithm, based on density functional theory (DFT), which avoids global communications. The computational model uses a general nonorthogonal orbital formulation for the DFT energy functional, which requires knowledge of selected elements of the inverse of the associated overlap matrix. We present a scalable algorithm for approximately computing selected entries of the inverse of the overlap matrix, based on an approximate inverse technique, by inverting local blocks corresponding to principal submatrices of the global overlap matrix. The new FPMD algorithm exploits sparsity and uses nearest neighbor communication to provide a computational scheme capable of extreme scalability. Accuracy is controlled by the mesh spacing of the finite difference discretization, the size of the localization regions in which the electronic orbitals are confined, and a cutoff beyond which the entries of the overlap matrix can be omitted when computing selected entries of its inverse. We demonstrate the algorithm's excellent parallel scaling for up to O(100K) atoms on O(100K) processors, with a wall-clock time of O(1) minute per molecular dynamics time step.
C1 [Osei-Kuffuor, Daniel; Fattebert, Jean-Luc] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA.
RP Osei-Kuffuor, D (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, L-561, Livermore, CA 94551 USA.
EM oseikuffuor1@llnl.gov; fattebert1@llnl.gov
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; Laboratory Directed Research and Development
Program [12-ERD-048]
FX This work was performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory under contract
DE-AC52-07NA27344. The work at LLNL was funded by the Laboratory
Directed Research and Development Program under project tracking code
12-ERD-048. 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.
NR 44
TC 1
Z9 1
U1 2
U2 10
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 1064-8275
EI 1095-7197
J9 SIAM J SCI COMPUT
JI SIAM J. Sci. Comput.
PY 2014
VL 36
IS 4
BP C353
EP C375
DI 10.1137/140956476
PG 23
WC Mathematics, Applied
SC Mathematics
GA AT2EE
UT WOS:000344743800039
ER
PT J
AU Solis, KJ
Martin, JE
AF Solis, Kyle J.
Martin, James E.
TI Complex magnetic fields breathe life into fluids
SO SOFT MATTER
LA English
DT Article
ID DYNAMICS; PATTERNS
AB The vast majority of materials research exploits equilibrium or quasi-equilibrium processes to produce inert materials. In contrast, living systems depend on far-from-equilibrium kinetic processes that require a continuous flux of energy to persist and perform useful tasks. The Greek god Hephaestus forged metal automatons that he miraculously animated to perform the tasks of living creatures. Is something like this actually possible? Here we show that subjecting magnetic fluids suspended in an immiscible liquid to uniform, multidimensional, time-dependent magnetic fields, generates a variety of life-like collective dynamics, including various forms of locomotion, swarming and feeding, that are sustained by the continuous injection of energy via the applied field. These leaderless emergent behaviors occur autonomously, without human guidance, and are quite surprising. Such self-healing, remotely-powered fluid automatons could be used as an extraction/separation technology to efficiently purify water by scavenging toxic chemicals and microorganisms, or alternatively enable the controlled release of chemicals. Other possible applications include vigorous fluid mixing and even microdroplet manipulation for microfluidic bioassays.
C1 [Solis, Kyle J.; Martin, James E.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Martin, JE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM jmartin@sandia.gov
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; Division of Materials Science, Office of Basic
Energy Sciences, U.S. Department of Energy (DOE)
FX This paper is dedicated to the memory of Susan M. Brozik. Susan was an
enthusiastic biologist at Sandia National Labs who inspired us to
explore the magnetic manipulation of microdroplets, leading to the
discoveries reported in this article. We wish she could have seen these
results. 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 the Division of Materials
Science, Office of Basic Energy Sciences, U.S. Department of Energy
(DOE).
NR 34
TC 5
Z9 5
U1 3
U2 18
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 2014
VL 10
IS 45
BP 9136
EP 9142
DI 10.1039/c4sm01458h
PG 7
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA AS7ZF
UT WOS:000344469700013
PM 25318082
ER
PT J
AU Li, S
Banuelos, JL
Zhang, PF
Feng, G
Dai, S
Rother, G
Cummings, PT
AF Li, Song
Banuelos, Jose Leobardo
Zhang, Pengfei
Feng, Guang
Dai, Sheng
Rother, Gernot
Cummings, Peter T.
TI Toward understanding the structural heterogeneity and ion pair stability
in dicationic ionic liquids
SO SOFT MATTER
LA English
DT Article
ID X-RAY-SCATTERING; MOLECULAR-DYNAMICS SIMULATION; ALKYL CHAIN-LENGTH;
NANOSCALE ORGANIZATION; SPATIAL HETEROGENEITY; AGGREGATION; DIFFUSION;
SURFACE; SINGLE; ANIONS
AB The structural and dynamical properties of dicationic ionic liquids (DILs) [C-n(mim)(2)](Tf2N)(2), that is, 3-methylimidazolium dications separated by an alkyl chain and with bis(trifluoromethylsulfonyl) amide as the anion, were investigated by molecular dynamics (MD) simulation in combination with small/wide-angle X-ray scattering (SWAXS) measurements. Enhanced spatial heterogeneity is observed as the DIL chain length is increased, characterized by the changes in the scattering and the increased heterogeneity order parameter (HOP). Temperature variation imposes only slight influences on the local structures of DILs compared to monocationic ionic liquids (MILs). The peaks at 0.9 angstrom(-1) and 1.4 angstrom(-1) of the structure function shift towards low Q as the temperature increases, in a similar manner to MILs, and changes in peak positions in response to temperature changes are reflected in HOP variations. However, the prepeak shift with increasing temperature is similar to 3 times smaller in DILs compared to MILs, and both MD and SWAXS indicate a DIL-specific prepeak shifting. Furthermore, the high ion pair/ion cage stability in DILs is indicative of high thermal stability and relative insensitivity of structural heterogeneity to temperature variation, which might be caused by the stronger Coulombic interactions in DILs.
C1 [Li, Song; Cummings, Peter T.] Vanderbilt Univ, Dept Chem & Biomol Engn, Nashville, TN 37235 USA.
[Banuelos, Jose Leobardo] STFC Rutherford Appleton Lab, ISIS Facil, Oxford OX11 0QX, England.
[Banuelos, Jose Leobardo; Zhang, Pengfei; Dai, Sheng; Rother, Gernot] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Feng, Guang] Huazhong Univ Sci & Technol, Sch Energy & Power Engn, State Key Lab Coal Combust, Wuhan 430074, Peoples R China.
[Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
RP Feng, G (reprint author), Huazhong Univ Sci & Technol, Sch Energy & Power Engn, State Key Lab Coal Combust, Wuhan 430074, Peoples R China.
EM jose.banuelos@stfc.ac.uk; gfeng@hust.edu.cn
RI Rother, Gernot/B-7281-2008; Zhang, Pengfei/I-5484-2013; Feng,
Guang/D-8989-2011; Banuelos, Jose/L-1561-2013; Dai, Sheng/K-8411-2015;
OI Rother, Gernot/0000-0003-4921-6294; Banuelos, Jose/0000-0003-4644-526X;
Dai, Sheng/0000-0002-8046-3931; Feng, Guang/0000-0001-6659-9181
FU Fluid Interface Reactions, Structures and Transport (FIRST) Center, an
Energy Frontier Research Center - U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences; 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 This material is based upon work supported as part of the Fluid
Interface Reactions, Structures and Transport (FIRST) Center, an Energy
Frontier Research Center funded by the U. S. Department of Energy,
Office of Science, Office of Basic Energy Sciences. The X-ray scattering
portion of this research was conducted at the Center for Nanophase
Materials Sciences, which is sponsored at Oak Ridge National Laboratory
by the Scientific User Facilities Division, Office of Basic Energy
Sciences, U.S. Department of Energy. We also would like to thank the
National Energy Research Scientific Computing Center (NERSC) for
providing computational resources, which is supported by the Office of
Science of the U.S. Department of Energy under Contract no.
DE-AC02-05CH11231.
NR 36
TC 10
Z9 10
U1 2
U2 46
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 2014
VL 10
IS 45
BP 9193
EP 9200
DI 10.1039/c4sm01742k
PG 8
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA AS7ZF
UT WOS:000344469700020
PM 25328976
ER
PT J
AU Garg, S
Castro-Roman, F
Porcar, L
Butler, P
Bautista, PJ
Krzyzanowski, N
Perez-Salas, U
AF Garg, Sumit
Castro-Roman, Francisco
Porcar, Lionel
Butler, Paul
Bautista, Pedro Jesus
Krzyzanowski, Natalie
Perez-Salas, Ursula
TI Cholesterol solubility limit in lipid membranes probed by small angle
neutron scattering and MD simulations
SO SOFT MATTER
LA English
DT Article
ID MOLECULAR-ORGANIZATION; PHASE-BEHAVIOR; BILAYERS; PHOSPHATIDYLCHOLINE;
PHOSPHATIDYLSERINE; CRYSTALS
AB The solubility limits of cholesterol in small unilamellar vesicles made of POPS and POPC were probed using Small Angle Neutron Scattering (SANS) and coarse grained (CG) molecular dynamics (MD) simulations. SANS, being non-invasive, allowed the direct and quantitative measurement of cholesterol in intact vesicles. Our experimental measurements reveal a 61% mole fraction solubility limit of cholesterol in POPC, consistent with previous studies. However, in POPS the solubility limit of cholesterol is found to be 73%mole fraction. Previous work reports solubility limits of cholesterol in POPS varying significantly, ranging from 36% up to 66%. The CG MD simulations are in remarkable quantitative agreement with our experimental results showing similar solubility limits. Further, neither experiments nor simulations show evidence of stable nanodomains of cholesterol in POPS membranes as suggested in some previous reports.
C1 [Garg, Sumit; Perez-Salas, Ursula] Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA.
[Garg, Sumit; Krzyzanowski, Natalie; Perez-Salas, Ursula] Univ Illinois, Dept Phys, Chicago, IL 60607 USA.
[Castro-Roman, Francisco; Bautista, Pedro Jesus] IPN, Ctr Invest & Estudios Avanzados, Mexico City 07738, DF, Mexico.
[Porcar, Lionel] Inst Max Von Laue Paul Langevin, Large Scale Struct Grp, F-38042 Grenoble, France.
[Butler, Paul] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA.
[Porcar, Lionel; Butler, Paul] Univ Delaware, Dept Chem Engn, Colburn Lab, Newark, DE USA.
RP Perez-Salas, U (reprint author), Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA.
EM ursulaps@uic.edu
RI Butler, Paul/D-7368-2011
FU National Science Foundation [DMR-0454672]; U.S. Department of Energy,
Office of Science [DE-AC02-06CH11357]; Centro Nacional de Supercomputo
(CNS) del Instituto Potosino de Investigacion Cientifica y Tecnologica
(IPICyT)
FX This work utilized facilities at the National Institute for Standards
and Technology, supported in part by the National Science Foundation
under agreement no. DMR-0454672. U.P-S and S.G acknowledge support from
U.S. Department of Energy, Office of Science, under contract no.
DE-AC02-06CH11357. Certain commercial materials are identified in this
paper to foster understanding. Such identification does not imply
recommendation or endorsement by the National Institute of Standards and
Technology, nor does it imply that the materials or equipment identified
are necessarily the best available for the purpose. FCR acknowledges
Centro Nacional de Supercomputo (CNS) del Instituto Potosino de
Investigacion Cientifica y Tecnologica (IPICyT) for its support with
computing resources.
NR 25
TC 4
Z9 4
U1 1
U2 20
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 2014
VL 10
IS 46
BP 9313
EP 9317
DI 10.1039/c4sm01219d
PG 5
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA AT5EC
UT WOS:000344965200013
PM 25338228
ER
PT S
AU Abercrombie, RK
Schlicher, BG
Sheldon, FT
AF Abercrombie, Robert K.
Schlicher, Bob G.
Sheldon, Frederick T.
BE Sprague, RH
TI Security Analysis of Selected AMI Failure Scenarios Using Agent Based
Game Theoretic Simulation
SO 2014 47TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 47th Annual Hawaii International Conference on System Sciences
CY JAN 06-09, 2014
CL Waikoloa, HI
SP Univ Hawaii, Shidler Coll Business, IEEE Comp Soc
ID NETWORK
AB Information security analysis can be performed using game theory implemented in dynamic Agent Based Game Theoretic (ABGT) simulations. Such simulations can be verified with the results from game theory analysis and further used to explore larger scale, real world scenarios involving multiple attackers, defenders, and information assets. We concentrated our analysis on the Advanced Metering Infrastructure (AMI) functional domain which the National Electric Sector Cyber security Organization Resource (NESCOR) working group has currently documented 29 failure scenarios. The strategy for the game was developed by analyzing five electric sector representative failure scenarios contained in the AMI functional domain. From these five selected scenarios, we characterize them into three specific threat categories affecting confidentiality, integrity and availability (CIA). The analysis using our ABGT simulation demonstrates how to model the AMI functional domain using a set of rationalized game theoretic rules decomposed from the failure scenarios in terms of how those scenarios might impact the AMI network with respect to CIA.
C1 [Abercrombie, Robert K.; Schlicher, Bob G.; Sheldon, Frederick T.] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA.
RP Abercrombie, RK (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA.
EM abercrombier@ornl.gov; schlicherbg@ornl.gov; sheldon@ieee.org
OI Abercrombie, Robert/0000-0003-0949-4070; Sheldon,
Frederick/0000-0003-1241-2750
NR 17
TC 1
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U1 0
U2 5
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 1060-3425
BN 978-1-4799-2504-9
J9 P ANN HICSS
PY 2014
BP 2015
EP 2024
DI 10.1109/HICSS.2014.255
PG 10
WC Computer Science, Information Systems; Computer Science, Theory &
Methods
SC Computer Science
GA BB5FW
UT WOS:000343806602016
ER
PT S
AU Barrows, C
Blumsack, S
Hines, P
AF Barrows, Clayton
Blumsack, Seth
Hines, Paul
BE Sprague, RH
TI Correcting Optimal Transmission Switching for AC Power Flows
SO 2014 47TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 47th Annual Hawaii International Conference on System Sciences
CY JAN 06-09, 2014
CL Waikoloa, HI
SP Univ Hawaii, Shidler Coll Business, IEEE Comp Soc
AB Optimal Transmission Switching (OTS) has demonstrated significant savings potential on test systems when formulated in a linearized DC power flow framework. OTS solutions generated from DC models, however, are not guaranteed to produce a feasible AC dispatch. Additionally, whether AC-feasible OTS solutions will generate cost savings similar to those suggested in the DC model is not guaranteed. We present a method to correct OTS solutions obtained in the DC model to ensure feasible AC power flow solutions. When applied to the RTS-96 benchmark network, the method achieves results that are both AC feasible and generate significant system cost reductions - in some cases larger than the cost reductions suggested by the DC OTS.
C1 [Barrows, Clayton] Natl Renewable Energy Lab, Golden, CO 15013 USA.
RP Barrows, C (reprint author), Natl Renewable Energy Lab, Golden, CO 15013 USA.
EM claytonpbarrows@gmail.com; sethb@psu.edu; Paul.hines@uvm.edu
NR 13
TC 5
Z9 5
U1 0
U2 1
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 1060-3425
BN 978-1-4799-2504-9
J9 P ANN HICSS
PY 2014
BP 2374
EP 2379
DI 10.1109/HICSS.2014.642
PG 6
WC Computer Science, Information Systems; Computer Science, Theory &
Methods
SC Computer Science
GA BB5FW
UT WOS:000343806602060
ER
PT S
AU Eto, J
AF Eto, Joe
BE Sprague, RH
TI Introduction to the Monitoring, Control and Protection Minitrack
SO 2014 47TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 47th Annual Hawaii International Conference on System Sciences
CY JAN 06-09, 2014
CL Waikoloa, HI
SP Univ Hawaii, Shidler Coll Business, IEEE Comp Soc
C1 Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Eto, J (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM JHEto@lbl.gov
NR 0
TC 0
Z9 0
U1 0
U2 0
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 1060-3425
BN 978-1-4799-2504-9
J9 P ANN HICSS
PY 2014
BP 2435
EP 2435
DI 10.1109/HICSS.2014.305
PG 1
WC Computer Science, Information Systems; Computer Science, Theory &
Methods
SC Computer Science
GA BB5FW
UT WOS:000343806602067
ER
PT S
AU Fisher, E
Eto, JH
AF Fisher, Emily
Eto, Joseph H.
BE Sprague, RH
TI Congestion Measures for Organized Markets in the US
SO 2014 47TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 47th Annual Hawaii International Conference on System Sciences
CY JAN 06-09, 2014
CL Waikoloa, HI
SP Univ Hawaii, Shidler Coll Business, IEEE Comp Soc
AB Transmission lines deliver electricity that is generated at power plants to loads. When there is not sufficient transmission capacity to schedule or transport all desired electricity transfers, the transmission system is constrained, and the particular line, flowgate or interface is congested. While it is useful to measure congestion for several reasons - to identify where and how much congestion exists and how this changes over time, to determine whether or what to do about it, and to assess the effectiveness of actions taken - it is challenging to measure congestion in a meaningful and consistent way across markets or over time in the same market. This paper examines current public reporting of congestion measures for organized markets in the U. S., and what these measures can and cannot tell us about congestion across regions or over time in the same region.
C1 [Fisher, Emily; Eto, Joseph H.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Fisher, E (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM esfisher@lbl.gov; jheto@lbl.gov
NR 23
TC 0
Z9 0
U1 0
U2 0
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 1060-3425
BN 978-1-4799-2504-9
J9 P ANN HICSS
PY 2014
BP 2453
EP 2462
DI 10.1109/HICSS.2014.308
PG 10
WC Computer Science, Information Systems; Computer Science, Theory &
Methods
SC Computer Science
GA BB5FW
UT WOS:000343806602070
ER
PT S
AU Dagle, J
AF Dagle, Jeff
BE Sprague, RH
TI Introduction to HICCS-47 Resilient Networks Minitrack
SO 2014 47TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 47th Annual Hawaii International Conference on System Sciences
CY JAN 06-09, 2014
CL Waikoloa, HI
SP Univ Hawaii, Shidler Coll Business, IEEE Comp Soc
C1 Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Dagle, J (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM jeff.dagle@pnnl.gov
NR 0
TC 0
Z9 0
U1 0
U2 0
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 1060-3425
BN 978-1-4799-2504-9
J9 P ANN HICSS
PY 2014
BP 2510
EP 2510
DI 10.1109/HICSS.2014.314
PG 1
WC Computer Science, Information Systems; Computer Science, Theory &
Methods
SC Computer Science
GA BB5FW
UT WOS:000343806602076
ER
PT S
AU Jin, SS
Chassin, DP
AF Jin, Shuangshuang
Chassin, David P.
BE Sprague, RH
TI Thread Group Multithreading: Accelerating the computation of an
Agent-based Power System Modeling and Simulation Tool - GridLAB-D
SO 2014 47TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 47th Annual Hawaii International Conference on System Sciences
CY JAN 06-09, 2014
CL Waikoloa, HI
SP Univ Hawaii, Shidler Coll Business, IEEE Comp Soc
AB GridLAB-D (TM) is an open source next generation agent-based smart-grid simulator that provides unprecedented capability to model the performance of smart grid technologies. Over the past few years, GridLAB-D has been used to conduct important analyses of smart grid concepts, but it is still quite limited by its computational performance. In order to break through the performance bottleneck to meet the need for large scale power grid simulations, we develop a thread group mechanism to implement highly granular multithreaded computation in GridLAB-D. We achieve close to linear speedup on the multithread version running on general purpose multicore commodity for a benchmark simple house model. The performance of the multithreading code also shows very favorable scalability properties, resource utilization, and much shorter execution time for large-scale complex power grid simulations.
C1 [Jin, Shuangshuang; Chassin, David P.] Pacific NW Natl Lab, Richland, WA 99354 USA.
RP Jin, SS (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA.
EM shuangshuang.jin@pnl.gov; david.chassin@pnl.gov
NR 4
TC 0
Z9 0
U1 0
U2 0
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 1060-3425
BN 978-1-4799-2504-9
J9 P ANN HICSS
PY 2014
BP 2536
EP 2545
DI 10.1109/HICSS.2014.318
PG 10
WC Computer Science, Information Systems; Computer Science, Theory &
Methods
SC Computer Science
GA BB5FW
UT WOS:000343806602080
ER
PT S
AU Marinovici, C
Kirkham, H
Glass, K
AF Marinovici, Cristina
Kirkham, Harold
Glass, Kevin
BE Sprague, RH
TI The Hidden Job Requirements for a Software Engineer
SO 2014 47TH HAWAII INTERNATIONAL CONFERENCE ON SYSTEM SCIENCES (HICSS)
SE Proceedings of the Annual Hawaii International Conference on System
Sciences
LA English
DT Proceedings Paper
CT 47th Annual Hawaii International Conference on System Sciences
CY JAN 06-09, 2014
CL Waikoloa, HI
SP Univ Hawaii, Shidler Coll Business, IEEE Comp Soc
AB In a world increasingly operated by computers, where innovation depends on software, the software engineer's role is changing continuously and gaining new dimensions. In commercial software development as well as scientific research environments, the way software developers are perceived is changing, because they are more important to the business than ever before. Nowadays, their job requires skills extending beyond the regular job description posted by HR, and more is expected. To advance and thrive in their new roles, the software engineers must embrace change, and practice the themes of the new era (integration, collaboration and optimization). The challenges may be somehow intimidating for freshly graduated software engineers. Through this paper the authors hope to set them on a path for success, by helping them relinquish their fear of the unknown.
C1 [Marinovici, Cristina; Kirkham, Harold; Glass, Kevin] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Marinovici, C (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM cristina.marinovici@pnnl.gov; harold.kirkham@pnnl.gov;
kevin.glass@pnnl.gov
OI Marinovici, Cristina/0000-0003-3973-6579; Kirkham,
Harold/0000-0003-2893-7586
NR 12
TC 0
Z9 0
U1 3
U2 4
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 1060-3425
BN 978-1-4799-2504-9
J9 P ANN HICSS
PY 2014
BP 4979
EP 4984
DI 10.1109/HICSS.2014.611
PG 6
WC Computer Science, Information Systems; Computer Science, Theory &
Methods
SC Computer Science
GA BB5FW
UT WOS:000343806605015
ER
PT J
AU Romanos, J
Sweany, S
Rash, T
Firlej, L
Kuchta, B
Idrobo, JC
Pfeifer, P
AF Romanos, J.
Sweany, S.
Rash, T.
Firlej, L.
Kuchta, B.
Idrobo, J. C.
Pfeifer, P.
TI Engineered Porous Carbon for High Volumetric Methane Storage
SO ADSORPTION SCIENCE & TECHNOLOGY
LA English
DT Article
ID DENSITY-FUNCTIONAL THEORY; ACTIVATED CARBON; CHEMICAL ACTIVATION;
ADSORPTION; MICRO; KOH
AB This paper covers the optimization of methane volumetric storage capacity by controlling the sub-nanometre (<1 nm) and supra-nanometre (1-5 nm) pore volumes. Nanospace engineering of KOH activated carbon generates an ideal structure for methane storage in which gas molecules are adsorbed as a high-density fluid by strong van der Waals forces into pores that are a few molecules in diameter. High specific surface areas, porosities, sub-nanometre (<1 nm) and supra-nanometre (1-5 nm) pore volumes are quantitatively selected by controlling the degree of carbon consumption and metallic potassium intercalation into the carbon lattice during the activation process. The formation of tuneable sub-nanometre and supra-nanometre pores is validated by sub-critical nitrogen adsorption. Aberration-corrected scanning transmission electron microscopy data show the atomic structure of high-surface-area activated carbon (2600 m(2)/g). While high surface area and high porosity are optimal for gravimetric methane storage, the results indicate that an exclusive sub-nanometre region, a low porosity and an acceptable surface area (approximately 2000 m2/g) are ideal for methane volumetric storage, storing 120 g CH4/l (184 vol/vol) at 35 bar and room temperature (22 degrees C). High-pressure methane isotherms up to 150 bar at 30, -25 and 50 degrees C on optimal activated carbons are presented. Methane volumetric storage capacity at 35 bar reaches 176 g/l (269 vol/vol) and 202 g/l (309 vol/vol) at -25 and -50 degrees C, respectively.
C1 [Romanos, J.; Sweany, S.; Rash, T.; Firlej, L.; Kuchta, B.; Pfeifer, P.] Univ Missouri, Dept Phys & Astron, Columbia, MO 65211 USA.
[Romanos, J.] Lebanese Amer Univ, Dept Nat Sci, Byblos, Lebanon.
[Firlej, L.] Univ Montpellier 2, LCVN, F-34095 Montpellier 5, France.
[Kuchta, B.] Aix Marseille Univ, Lab MARIDEL, F-13396 Marseille, France.
[Idrobo, J. C.] Oak Ridge Natl Lab, Adv Microscopy Lab, Oak Ridge, TN 37831 USA.
RP Romanos, J (reprint author), Univ Missouri, Dept Phys & Astron, Columbia, MO 65211 USA.
EM jimmy.romanos@lau.edu.lb
RI Idrobo, Juan/H-4896-2015; Kuchta, Bogdan/I-6471-2015
OI Idrobo, Juan/0000-0001-7483-9034; Kuchta, Bogdan/0000-0002-8635-4154
FU California Energy Commission [500-08-022]; Scientific User Facilities
Division, Office of Basic Energy Sciences, U.S. Department of Energy
FX This research is based on the work supported by the California Energy
Commission under Contract No. 500-08-022. STEM experiments were
conducted at the Center for Nanophase Materials Sciences, which is
sponsored at Oak Ridge National Laboratory by the Scientific User
Facilities Division, Office of Basic Energy Sciences, U.S. Department of
Energy.
NR 29
TC 1
Z9 1
U1 3
U2 13
PU MULTI-SCIENCE PUBL CO LTD
PI BRENTWOOD
PA 5 WATES WAY, BRENTWOOD CM15 9TB, ESSEX, ENGLAND
SN 0263-6174
EI 2048-4038
J9 ADSORPT SCI TECHNOL
JI Adsorpt. Sci. Technol.
PY 2014
VL 32
IS 8
BP 681
EP 691
PG 11
WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical
SC Chemistry; Engineering
GA AS3ZF
UT WOS:000344212800005
ER
PT S
AU Bruhwiler, DL
Chubar, O
Nagler, R
Krzywinski, J
Boehnlein, A
AF Bruhwiler, David L.
Chubar, Oleg
Nagler, Robert
Krzywinski, Jacek
Boehnlein, Amber
BE DelRio, MS
Chubar, O
TI An open software framework for advancement of X-ray optics simulation
and modeling
SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS III
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Computational Methods for X-Ray Optics III
CY AUG 18-21, 2014
CL San Diego, CA
SP SPIE
DE X-ray optics; light source; open source software; synchrotron radiation;
cloud computing
ID SYNCHROTRON-RADIATION; CODE
AB Accurate physical-optics based simulation of emission, transport and use in experiments of fully-and partially-coherent X-ray radiation is essential for both designers and users of experiments at state-of-the-art light sources: low-emittance storage rings, energy-recovery linacs and free-electron lasers. To be useful for different applications, the simulations must include accurate physical models for the processes of emission, for the structures of X-ray optical elements, interaction of the radiation with samples, and propagation of scattered X-rays to a detector. Based on the "Synchrotron Radiation Workshop" (SRW) open source computer code, we are developing a simulation framework, including a graphical user interface, web interface for client-server simulations, data format for wave-optics based representation of partially-coherent X-ray radiation, and a dictionary for universal description of optical elements. Also, we are evaluating formats for sample and experimental data representation for different types of experiments and processing. The simulation framework will facilitate start-to-end simulations by different computer codes complementary to SRW, for example GENESIS and FAST codes for simulating self-amplified spontaneous emission, SHADOW and McXtrace geometrical ray-tracing codes, as well as codes for simulation of interaction of radiation with matter and data processing in experiments exploiting coherence of radiation. The development of the new framework is building on components developed for the Python-based RadTrack software, which is designed for loose coupling of multiple electron and radiation codes to enable sophisticated workflows. We are exploring opportunities for collaboration with teams pursuing similar developments at European Synchrotron Radiation Facility and the European XFEL.
C1 [Bruhwiler, David L.; Nagler, Robert] RadiaSoft LLC, 1348 Redwood Ave, Boulder, CO 80304 USA.
[Chubar, Oleg] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
[Nagler, Robert] Bivio Software Inc, Boulder, CO 80303 USA.
[Krzywinski, Jacek; Boehnlein, Amber] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA.
RP Bruhwiler, DL (reprint author), RadiaSoft LLC, 1348 Redwood Ave, Boulder, CO 80304 USA.
EM bruhwiler@radiasoft.net
FU US Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-SC0011237, DE-SC0006284]
FX This work is supported in pan by the US Department of Energy, Office of
Science, Office of Basic Energy Sciences, under grant No. DE-SC0011237.
We thank L. Samoylova and A. Buzmakov of the European XFEI team, for
helpful conversations and advice. We thank the RadTrack development
team: G. Andonian. S. Seung. M. Harrison. T. Shaftan and S. Webb.
RadTrack development is funded by the US Department of Energy, Office of
Science, Office of Basic Energy Sciences under grant NO. DE-SC0006284.
NR 57
TC 1
Z9 1
U1 1
U2 5
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-236-9
J9 PROC SPIE
PY 2014
VL 9209
AR UNSP 92090Z
DI 10.1117/12.2061947
PG 12
WC Engineering, Electrical & Electronic; Optics
SC Engineering; Optics
GA BB5PE
UT WOS:000344012500028
ER
PT S
AU Canestrari, N
Bisogni, V
Walter, A
Zhu, Y
Dvorak, J
Vescovo, E
Chubar, O
AF Canestrari, N.
Bisogni, V.
Walter, A.
Zhu, Y.
Dvorak, J.
Vescovo, E.
Chubar, O.
BE DelRio, MS
Chubar, O
TI Wavefront propagation simulations for a UV/soft X-ray beamline: Electron
Spectro-Microscopy beamline at NSLS-II
SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS III
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Computational Methods for X-Ray Optics III
CY AUG 18-21, 2014
CL San Diego, CA
SP SPIE
DE physical optics; wavefront propagation; soft X-ray beamline
AB A "source-to-sample" wavefront propagation analysis of the Electron Spectro-Microscopy (ESM) UV / soft X-ray beamline, which is under construction at the National Synchrotron Light Source II (NSLS-II) in the Brookhaven National Laboratory, has been conducted. All elements of the beamline - insertion device, mirrors, variable-line-spacing gratings and slits - are included in the simulations. Radiation intensity distributions at the sample position are displayed for representative photon energies in the UV range (20 - 100 eV) where diffraction effects are strong. The finite acceptance of the refocusing mirrors is the dominating factor limiting the spatial resolution at the sample (by similar to 3 mu m at 20 eV). Absolute estimates of the radiation flux and energy resolution at the sample are also obtained from the electromagnetic calculations. The analysis of the propagated UV range undulator radiation at different deflection parameter values demonstrates that within the beamline angular acceptance a slightly "red-shifted" radiation provides higher flux at the sample and better energy resolution compared to the on-axis resonant radiation of the fundamental harmonic.
C1 [Canestrari, N.; Bisogni, V.; Walter, A.; Zhu, Y.; Dvorak, J.; Vescovo, E.; Chubar, O.] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
RP Canestrari, N (reprint author), Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
EM chubar@bnl.gov
NR 8
TC 1
Z9 1
U1 1
U2 3
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-236-9
J9 PROC SPIE
PY 2014
VL 9209
AR 92090I
DI 10.1117/12.2061979
PG 9
WC Engineering, Electrical & Electronic; Optics
SC Engineering; Optics
GA BB5PE
UT WOS:000344012500015
ER
PT S
AU Chubar, O
AF Chubar, Oleg
BE DelRio, MS
Chubar, O
TI Recent updates in the "Synchrotron Radiation Workshop" code, on-going
developments, simulation activities, and plans for the future
SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS III
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Computational Methods for X-Ray Optics III
CY AUG 18-21, 2014
CL San Diego, CA
SP SPIE
DE physical optics; synchrotron radiation; partial coherence; X-rays; light
sources; computer code
ID FREE-ELECTRON LASER; BEAM DIAGNOSTICS; OPTICS; TOOL
AB Recent updates in the "Synchrotron Radiation Workshop" physical optics computer code, including the transition to the Open Source development format, the results of the on-going collaborative development efforts in the area of X-ray optics, in particular grazing incidence mirrors, gratings and crystal monochromators, and in other areas, as well as some simulation activities for storage ring and X-ray free-electron laser sources are reported. Future development plans are discussed.
C1 Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
RP Chubar, O (reprint author), Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
EM chubar@bnl.gov
NR 38
TC 1
Z9 1
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-236-9
J9 PROC SPIE
PY 2014
VL 9209
AR 920907
DI 10.1117/12.2062100
PG 10
WC Engineering, Electrical & Electronic; Optics
SC Engineering; Optics
GA BB5PE
UT WOS:000344012500005
ER
PT S
AU del Rio, MS
Rebuffi, L
Demsar, J
Canestrari, N
Chubar, O
AF del Rio, Manuel Sanchez
Rebuffi, Luca
Demsar, Janez
Canestrari, Niccolo
Chubar, Oleg
BE DelRio, MS
Chubar, O
TI A proposal for an Open Source graphical environment for simulating X-ray
optics
SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS III
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Computational Methods for X-Ray Optics III
CY AUG 18-21, 2014
CL San Diego, CA
SP SPIE
DE Optics simulations; Software; Graphical User Interface; Virtual
Experiment; X-ray Optics
AB A new graphic environment to drive X-ray optics simulation packages such as SHADOW and SRW is proposed. The aim is to simulate a virtual experiment, including the description of the electron beam and simulate the emitted radiation, the optics, the scattering by the sample and radiation detection. Python is chosen as common interaction language. The ingredients of the new application, a glossary of variables for optical component, the selection of visualization tools, and the integration of all these components in a high level workflow environment built on Orange are presented.
C1 [del Rio, Manuel Sanchez] ESRF European Synchrotron, 71 Ave Martyrs, F-38000 Grenoble, France.
[Rebuffi, Luca] Elettra Sincrotrone Trieste, Basovizza, Italy.
[Demsar, Janez] Univ Ljubljana, Ljubljana, Slovenia.
[Canestrari, Niccolo; Chubar, Oleg] Brookhaven Natl Lab, Brookhaven, NY USA.
RP del Rio, MS (reprint author), ESRF European Synchrotron, 71 Ave Martyrs, F-38000 Grenoble, France.
OI Rebuffi, Luca/0000-0001-5779-1948
NR 7
TC 3
Z9 3
U1 2
U2 4
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-236-9
J9 PROC SPIE
PY 2014
VL 9209
AR UNSP 92090X
DI 10.1117/12.2061834
PG 5
WC Engineering, Electrical & Electronic; Optics
SC Engineering; Optics
GA BB5PE
UT WOS:000344012500026
ER
PT S
AU He, A
Chubar, O
Yu, LH
AF He, A.
Chubar, O.
Yu, L. H.
BE DelRio, MS
Chubar, O
TI Separation of Hard X-Ray Synchrotron Radiation from Electron Beam Slices
SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS III
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Computational Methods for X-Ray Optics III
CY AUG 18-21, 2014
CL San Diego, CA
SP SPIE
DE electron beam slicing; ultrashort x-ray pulse; SRW; radiation separation
ID PULSES; GENERATION
AB In the electron beam slicing scheme(1,2) considered for National Synchrotron Light Source II (NSLS-II) at Brookhaven National Laboratory, when a low energy electron bunch crosses from top of a high energy storage ring electron bunch, its coulomb force will kick a short slice (slicing bunch) from the core (core bunch) of the storage ring electron bunch. The short slice bunch and the long core bunch when passing through the 3 m long U20 invacuum undulator will radiate X-ray pulses with pulse length similar to 150 fs and 30 ps respectively. To separate the satellite radiation from the core radiation, we propose a conceptual optical scheme allowing for the separation. To get reliable estimates of the separation performances, we apply the Synchrotron Radiation Workshop (SRW) physical optics computer code(3,4) to study the wavefront propagation. As calculations show, at 7.8 keV, the separation signal-to-noise ratio can reach 5 similar to 12 and the satellite photon flux per pulse at sample can be 5000 similar to 20000 photons/0.1%BW with x-ray pulse length 150 similar to 330 fs depending on the separation method and the crossing angle between the low energy electron bunch and the high energy storage ring bunch. Since the repetition rate of the electron beam slicing system can reach 100 kHz, the average flux per second can reach 5 x 10(8) similar to 2 x 10(9) photons/sec/0.1%BW.
C1 [He, A.; Chubar, O.; Yu, L. H.] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP He, A (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM ahe@bnl.gov
NR 23
TC 0
Z9 0
U1 0
U2 1
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-236-9
J9 PROC SPIE
PY 2014
VL 9209
AR 92090V
DI 10.1117/12.2061255
PG 7
WC Engineering, Electrical & Electronic; Optics
SC Engineering; Optics
GA BB5PE
UT WOS:000344012500025
ER
PT S
AU Laundy, D
Alcock, SG
Alianelli, L
Sutter, JP
Sawhney, KJS
Chubar, O
AF Laundy, David
Alcock, Simon G.
Alianelli, Lucia
Sutter, John P.
Sawhney, Kawal J. S.
Chubar, Oleg
BE DelRio, MS
Chubar, O
TI Partial Coherence and Imperfect Optics at a Synchrotron Radiation Source
Modeled by Wavefront Propagation
SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS III
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Computational Methods for X-Ray Optics III
CY AUG 18-21, 2014
CL San Diego, CA
SP SPIE
DE Synchrotron radiation; modeling
AB A full wave propagation of X-rays from source to sample at a storage ring beamline requires simulation of the electron beam source and optical elements in the beamline. The finite emittance source causes the appearance of partial coherence in the wave field. Consequently, the wavefront cannot be treated exactly with fully coherent wave propagation or fully incoherent ray tracing. We have used the wavefront code Synchrotron Radiation Workshop (SRW) to perform partially coherent wavefront propagation using a parallel computing cluster at the Diamond Light Source. Measured mirror profiles have been used to correct the wavefront for surface errors.
C1 [Laundy, David; Alcock, Simon G.; Alianelli, Lucia; Sutter, John P.; Sawhney, Kawal J. S.] Diamond Light Source, Harwell Sci & Innovat Campus, Didcot OX11 0DE, Oxon, England.
[Chubar, Oleg] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
RP Laundy, D (reprint author), Diamond Light Source, Harwell Sci & Innovat Campus, Didcot OX11 0DE, Oxon, England.
EM d.laundy@diamond.ac.uk
NR 8
TC 1
Z9 1
U1 0
U2 1
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-236-9
J9 PROC SPIE
PY 2014
VL 9209
AR UNSP 920903
DI 10.1117/12.2062903
PG 7
WC Engineering, Electrical & Electronic; Optics
SC Engineering; Optics
GA BB5PE
UT WOS:000344012500002
ER
PT S
AU Lu, J
Hill, KW
Bitter, M
Delgado-Aparacio, L
Pablant, NA
Efthimion, P
Beiersdorfer, P
Chen, H
Widmann, K
del Rio, MS
AF Lu, J.
Hill, K. W.
Bitter, M.
Delgado-Aparacio, L.
Pablant, N. A.
Efthimion, P.
Beiersdorfer, P.
Chen, H.
Widmann, K.
del Rio, M. Sanchez
BE DelRio, MS
Chubar, O
TI Development of Spatially Resolved High Resolution X-Ray Spectroscopy for
Fusion and Light-Source Research
SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS III
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Computational Methods for X-Ray Optics III
CY AUG 18-21, 2014
CL San Diego, CA
SP SPIE
DE Spherically bent crystals; spatially resolved; high spectra resolution;
x-ray spectroscopy
ID SPECTRA
AB One dimensional spatially resolved high resolution x-ray spectroscopy with spherically bent crystals and 2D pixelated detectors is an established technique on magnetic confinement fusion (MCF) experiments world wide for Doppler measurements of spatial profiles of plasma ion temperature and flow velocity. This technique is being further developed for diagnosis of High Energy Density Physics (HEDP) plasmas at laser-plasma facilities and synchrotron/x-ray free electron laser (XFEL) facilities. Useful spatial resolution (micron scale) of such small-scale plasma sources requires magnification, because of the finite pixel size of x-ray CCD detectors (13.5 mu m). A von-Hamos like spectrometer using spherical crystals is capable of magnification, as well as uniform sagittal focusing across the full x-ray spectrum, and is being tested in laboratory experiments using a tungsten-target microfocus (5-10 mu m) x-ray tube and 13-mu m pixel x-ray CCD. A spatial resolution better than 10 mu m has been demonstrated. Good spectral resolution is indicated by small differences (0.02 - 0.1 eV) of measured line widths with best available published natural line widths. Progress and status of HEDP measurements and the physics basis for these diagnostics are presented. A new type of x-ray crystal spectrometer with a convex spherically bent crystal is also reported. The status of testing of a 2D imaging microscope using matched pairs of spherical crystals with x rays will also be presented. The use of computational x-ray optics codes in development of these instrumental concepts is addressed.
C1 [Lu, J.] Chongqing Univ, Minist Educ, Key Lab Optoelect Technol & Syst, Chongqing 400030, Peoples R China.
[Hill, K. W.; Bitter, M.; Delgado-Aparacio, L.; Pablant, N. A.; Efthimion, P.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[Beiersdorfer, P.; Chen, H.; Widmann, K.] Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94550 USA.
[del Rio, M. Sanchez] European Synchrotron Radiat Facil, F-38043 Grenoble, France.
RP Lu, J (reprint author), Chongqing Univ, Minist Educ, Key Lab Optoelect Technol & Syst, Chongqing 400030, Peoples R China.
EM khill@pppl.gov
FU U. S. Department of Energy by PPPL [DE-CO2-76CHO-3073]; LLNL
[DE-AC52-07NA-27344]
FX This work was performed under the auspices of the U. S. Department of
Energy by PPPL under contract DE-CO2-76CHO-3073 and LLNL under Contract
DE-AC52-07NA-27344.
NR 26
TC 0
Z9 0
U1 0
U2 10
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-236-9
J9 PROC SPIE
PY 2014
VL 9209
AR UNSP 92090M
DI 10.1117/12.2062192
PG 13
WC Engineering, Electrical & Electronic; Optics
SC Engineering; Optics
GA BB5PE
UT WOS:000344012500018
ER
PT S
AU Shi, XB
del Rio, MS
Reininger, R
AF Shi, Xianbo
del Rio, Manuel Sanchez
Reininger, Ruben
BE DelRio, MS
Chubar, O
TI A new SHADOW update: integrating diffraction effects into ray-tracing
SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS III
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Computational Methods for X-Ray Optics III
CY AUG 18-21, 2014
CL San Diego, CA
SP SPIE
DE hybrid method; SHADOW ray-tracing; wavefront propagation; diffraction
effect; beamline design; X-ray optics simulation
ID SYNCHROTRON-RADIATION
AB We describe the new implementation in the ray-tracing code SHADOW based on a "hybrid method" developed recently. The code calculates the diffraction effects from an optical element by means of wavefront propagation, and combines the result with that from regular ray-tracing. This hybrid procedure is invoked when diffraction is present (e.g., beam clipped by an aperture or the finite size of the optics) by user demand. The code enables the simulation of mirror figure errors in the framework of wave optics. The simulation of a complete beamline based on the far-field approximation is demonstrated. The near-field propagation is also implemented for individual optics. Finally, the applicable conditions and limitations of the new code are discussed.
C1 [Shi, Xianbo; Reininger, Ruben] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[del Rio, Manuel Sanchez] European Synchrotron Radiat Fac, F-38000 Grenoble, France.
RP Shi, XB (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
EM xshi@aps.anl.gov
FU US Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-06CH11357]
FX This work was supported by the US Department of Energy, Office of
Science, Office of Basic Energy Sciences, under Contract No.
DE-AC02-06CH11357. The authors would like to thank Dr. Vincent De
Andrade for the information of the SRX beamline and the figure error
profiles of the two mirrors.
NR 19
TC 4
Z9 4
U1 0
U2 2
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-236-9
J9 PROC SPIE
PY 2014
VL 9209
AR UNSP 920911
DI 10.1117/12.2061984
PG 9
WC Engineering, Electrical & Electronic; Optics
SC Engineering; Optics
GA BB5PE
UT WOS:000344012500029
ER
PT S
AU Shi, XB
Reininger, R
del Rio, MS
Qian, J
Assoufid, L
AF Shi, Xianbo
Reininger, Ruben
del Rio, Manuel Sanchez
Qian, Jun
Assoufid, Lahsen
BE DelRio, MS
Chubar, O
TI X-ray optics simulation and beamline design using a hybrid method:
diffraction-limited focusing mirrors
SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS III
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Computational Methods for X-Ray Optics III
CY AUG 18-21, 2014
CL San Diego, CA
SP SPIE
DE hybrid method; Fresnel-Kirchhoff diffration integral; stationary phase
approximation; diffraction-limited focus; mirror figure error;
ray-tracing; wavefront propagation
ID WAVE-FRONT PROPAGATION; ELLIPTIC MIRRORS
AB A hybrid method combining ray-tracing and wavefront propagation was recently developed for X-ray optics simulation and beamline design optimization. One major application of the hybrid method is its ability to assess the effects of figure errors on the performance of focusing mirrors. In the present work, focusing profiles of mirrors with different figure errors are simulated using three available wave optics methods: the hybrid code based on the Fourier optics approach, the stationary phase approximation and a technique based on the direct Fresnel-Kirchhoff diffraction integral. The advantages and limitations of each wave optics method are discussed. We also present simulations performed using the figure errors of an elliptical cylinder mirror measured at APS using microstitching interferometry. These results show that the hybrid method provides accurate and quick evaluation of the expected mirror performance making it a useful tool for designing diffraction-limited focusing beamlines.
C1 [Shi, Xianbo; Reininger, Ruben; Qian, Jun; Assoufid, Lahsen] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[del Rio, Manuel Sanchez] European Synchrotron Radiat Facil, F-38000 Grenoble, France.
RP Shi, XB (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
EM xshi@aps.anl.gov
FU US Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-06CH11357]
FX This work was supported by the US Department of Energy, Office of
Science, Office of Basic Energy Sciences, under Contract No.
DE-AC02-06CH11357. The authors would like to thank Dr. Cameron Kewish
for the simulation code based on the Fresnel- Kirchhoff diffraction
integral.
NR 19
TC 4
Z9 4
U1 1
U2 1
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-236-9
J9 PROC SPIE
PY 2014
VL 9209
AR UNSP 920909
DI 10.1117/12.2061950
PG 9
WC Engineering, Electrical & Electronic; Optics
SC Engineering; Optics
GA BB5PE
UT WOS:000344012500007
ER
PT S
AU Sutter, JP
Chubar, O
Suvorov, A
AF Sutter, John P.
Chubar, Oleg
Suvorov, Alexey
BE DelRio, MS
Chubar, O
TI Perfect crystal propagator for physical optics simulations with
"Synchrotron Radiation Workshop"
SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS III
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Computational Methods for X-Ray Optics III
CY AUG 18-21, 2014
CL San Diego, CA
SP SPIE
DE SRW; dynamical; diffraction; crystal; synchrotron; beamline; wavefront;
optics
ID SPHERICAL-WAVE THEORY; X-RAY DIFFRACTION; REFLECTION
AB Until now, a treatment of dynamical diffraction from perfect crystals has been missing in the "Synchrotron Radiation Workshop" (SRW) wavefront propagation computer code despite the widespread use of crystals on X-ray synchrotron beamlines. Now a special "propagator" module for calculating dynamical diffraction from a perfect crystal in the Bragg case has been written in C++, integrated into the SRW C/C++ library and made available for simulations using the Python interface of SRW. The propagator performs local processing of the frequency-domain electric field in the angular representation. A 2-D Fast Fourier Transform is used for changing the field representation from/to the coordinate representation before and after applying the crystal propagator. This ensures seamless integration of the new propagator with the existing functionalities of the SRW package, allows compatibility with existing propagators for other optical elements, and enables the simulation of complex beamlines transporting partially coherent X-rays. The code has been benchmarked by comparison with predictions made by plane-wave and spherical-wave dynamical diffraction theory. Test simulations for a selection of X-ray synchrotron beamlines are also shown.
C1 [Sutter, John P.] Diamond Light Source Ltd, Harwell Sci & Innovat Campus, Didcot OX11 0DE, Oxon, England.
[Chubar, Oleg; Suvorov, Alexey] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
RP Sutter, JP (reprint author), Diamond Light Source Ltd, Harwell Sci & Innovat Campus, Didcot OX11 0DE, Oxon, England.
EM john.sutter@diamond.ac.uk
FU US Department of Energy [DE-AC02-98CH10886]
FX The authors thank Kawal Sawhney of Diamond Light Source for his constant
support and David Laundy of Diamond Light Source for stimulating
discussions. The present work was supported by the US Department of
Energy, Contract No. DE-AC02-98CH10886.
NR 16
TC 2
Z9 2
U1 0
U2 1
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-236-9
J9 PROC SPIE
PY 2014
VL 9209
AR UNSP 92090L
DI 10.1117/12.2061646
PG 15
WC Engineering, Electrical & Electronic; Optics
SC Engineering; Optics
GA BB5PE
UT WOS:000344012500017
ER
PT S
AU Suvorov, A
Coburn, DS
Cunsolo, A
Keister, JW
Cai, YQ
AF Suvorov, Alexey
Coburn, David S.
Cunsolo, Alessandro
Keister, Jeffrey W.
Cai, Yong Q.
BE DelRio, MS
Chubar, O
TI Simulation of the ultrahigh energy resolution IXS analyzer system at
NSLS-II
SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS III
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Computational Methods for X-Ray Optics III
CY AUG 18-21, 2014
CL San Diego, CA
SP SPIE
DE X-ray optics; X-ray diffraction; multilayer mirror; inelastic X-ray
scattering
ID GRADED MULTILAYER MIRROR; OPTICS; TESTS
AB The ultrahigh energy resolution IXS spectrometer being developed at the National Synchrotron Light Source II (NSLS-II) employs an innovative optical design. Its analyzer system utilizes an L-shaped laterally graded multilayer mirror in tandem with a multi-crystal arrangement. The multi-crystal arrangement explores the angular dispersion effect in extremely asymmetric Bragg reflections to achieve sub-meV energy resolution at an energy about 9.1 keV. Its angular acceptance (similar to 0.1 mrad) is about two orders of magnitude lower than the spherically-bent backscattering analyzers conventionally used in other IXS spectrometers. The L-shaped laterally graded multiplayer mirror was designed to increase the angular acceptance of this new multi-crystal optics to a comparable level. It performs angular collimation of the incoming beam from about 15 mrad down to 0.1 mrad in both vertical and horizontal directions. Here we present simulations of the mirror performance and study the positioning and stability requirements in conjunction with the multi-crystal energy analyzer.
C1 [Suvorov, Alexey; Coburn, David S.; Cunsolo, Alessandro; Keister, Jeffrey W.; Cai, Yong Q.] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
RP Suvorov, A (reprint author), Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
EM asuvorov@bnl.gov
RI Cai, Yong/C-5036-2008
OI Cai, Yong/0000-0002-9957-6426
NR 17
TC 0
Z9 0
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-236-9
J9 PROC SPIE
PY 2014
VL 9209
AR 92090Y
DI 10.1117/12.2061844
PG 6
WC Engineering, Electrical & Electronic; Optics
SC Engineering; Optics
GA BB5PE
UT WOS:000344012500027
ER
PT S
AU Suvorov, A
Cai, YQ
Sutter, JP
Chubar, O
AF Suvorov, Alexey
Cai, Yong Q.
Sutter, John P.
Chubar, Oleg
BE DelRio, MS
Chubar, O
TI Partially-coherent wavefront propagation simulations for inelastic X-ray
scattering beamline including crystal optics
SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS III
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Computational Methods for X-Ray Optics III
CY AUG 18-21, 2014
CL San Diego, CA
SP SPIE
DE X-ray Optics; wave-optics propagation; X-ray diffraction; SRW
ID GEOMETRY; BEAMS
AB Up to now simulation of perfect crystal optics in the "Synchrotron Radiation Workshop" (SRW) wave-optics computer code was not available, thus hindering the accurate modelling of synchrotron radiation beamlines containing optical components with multiple-crystal arrangements, such as double-crystal monochromators and high-energy-resolution monochromators. A new module has been developed for SRW for calculating dynamical diffraction from a perfect crystal in the Bragg case. We demonstrate its successful application to the modelling of partially-coherent undulator radiation propagating through the Inelastic X-ray Scattering (IXS) beamline of the National Synchrotron Light Source II (NSLS-II) at Brookhaven National Laboratory. The IXS beamline contains a double-crystal and a multiple-crystal high-energy-resolution monochromator, as well as complex optics such as compound refractive lenses and Kirkpatrick-Baez mirrors for the X-ray beam transport and shaping, which makes it an excellent case for benchmarking the new functionalities of the updated SRW codes. As a photon-hungry experimental technique, this case study for the IXS beamline is particularly valuable as it provides an accurate evaluation of the photon flux at the sample position, using the most advanced simulation methods and taking into account parameters of the electron beam, details of undulator source, and the crystal optics.
C1 [Suvorov, Alexey; Cai, Yong Q.; Chubar, Oleg] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
[Sutter, John P.] Diamond Light Source Ltd Harwell Sci, Didcot OX11 0DE, Oxon, England.
RP Suvorov, A (reprint author), Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
EM asuvorov@bnl.gov
RI Cai, Yong/C-5036-2008
OI Cai, Yong/0000-0002-9957-6426
FU US DOE [DE-AC02-98CH10886]
FX The present work was supported by US DOE contracts No. DE-AC02-
98CH10886. Authors express special thanks to G. Materlik (London Centre
for Nanotechnology), K. Sawhney (DLS), Q. Shen (BNL), P. Zschack (BNL)
for support and fruitful discussions.
NR 10
TC 2
Z9 2
U1 0
U2 1
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-236-9
J9 PROC SPIE
PY 2014
VL 9209
AR UNSP 92090H
DI 10.1117/12.2061987
PG 8
WC Engineering, Electrical & Electronic; Optics
SC Engineering; Optics
GA BB5PE
UT WOS:000344012500014
ER
PT S
AU Yashchuk, VV
Samoylova, L
Kozhevnikov, IV
AF Yashchuk, Valeriy V.
Samoylova, Liubov
Kozhevnikov, Igor V.
BE DelRio, MS
Chubar, O
TI Specification of x-ray mirrors in terms of system performance: A new
twist to an old plot
SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS III
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Computational Methods for X-Ray Optics III
CY AUG 18-21, 2014
CL San Diego, CA
SP SPIE
DE x-ray optics; surface metrology; specification; simulation; surface
finish and figure; power spectral density; autoregressive moving
average; ARMA; fabrication tolerances
ID OPTICAL-SURFACES; SCATTERING; FINISH; ALGORITHM
AB In the early 1990' s [App. Opt. 32(19), 3344-531 (1993)], Church and Takacs pointed out that the specification of surface figure and finish of x-ray mirrors must be based on their performance in the beamline optical system. In the present work, we demonstrate the limitations of specification, characterization, and performance evaluation based on the totally statistical approach, including root-mean-square (rms) roughness and residual slope variation, evaluated over the spatial frequency bandwidths that are system specific, and a more refined statistical description of the surface morphology based on the power spectral density (PSD) distribution. We show that the limitations are fatal, especially, in the case of highly collimated coherent x-ray beams, like beams from X-ray Free Electron Lasers (XFELs). The limitations arise due to the deterministic character of the surface profile data for a definite mirror, while the specific correlation properties of the surface are essential for the performance of the entire x-ray optical system. As a possible way to overcome the problem, we treat a method, suggested in [Opt. Eng. 51(4), 046501, 2012] and based on an autoregressive moving average (ARMA) modeling of the slope measurements with a limited number of parameters. The effectiveness of the approach is demonstrated with an example peculiar to the x-ray optical systems under design at the European XFEL.
C1 [Yashchuk, Valeriy V.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Samoylova, Liubov] European XFEL GmbH, D-2276 Hamburg, Germany.
[Kozhevnikov, Igor V.] Russian Acad Sci, Shubnikov Inst Crystallog, Moscow 117333, Russia.
RP Yashchuk, VV (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM VVYashchuk@lbl.gov
NR 58
TC 4
Z9 4
U1 0
U2 5
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-236-9
J9 PROC SPIE
PY 2014
VL 9209
AR UNSP 92090F
DI 10.1117/12.2062085
PG 19
WC Engineering, Electrical & Electronic; Optics
SC Engineering; Optics
GA BB5PE
UT WOS:000344012500012
ER
PT S
AU Zhernenkov, M
Canestrari, N
Chubar, O
DiMasi, E
AF Zhernenkov, Mikhail
Canestrari, Niccolo
Chubar, Oleg
DiMasi, Elaine
BE DelRio, MS
Chubar, O
TI Soft Matter Interfaces beamline at NSLS-II: geometrical ray-tracing vs.
wavefront propagation simulations
SO ADVANCES IN COMPUTATIONAL METHODS FOR X-RAY OPTICS III
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Computational Methods for X-Ray Optics III
CY AUG 18-21, 2014
CL San Diego, CA
SP SPIE
DE geometrical ray-tracing; wavefront propagation; complete instrument
simulation; SRW code; SHADOW; Soft Matter Interfaces beamline
AB We report on the implications of the design of a Soft Matter Interfaces beamline, a long energy range canted in-vacuum undulator (IVU) beamline at National Synchrotron Light Source II, based on comparison of geometrical ray-tracing and partially coherent x-ray wavefront propagation simulation software packages, namely, SHADOW and Synchrotron Radiation Workshop (SRW). For SHADOW, we employed an SRW-generated source file which simulated spectral-angular distribution and apparent source characteristics of radiation produced by a 2.8 m long IVU with a 23 mm period and allowed us to realistically estimate the beam intensity at the sample positions. We highlight the necessity to use realistic mirror surface profiles with expected slope errors as opposed to "standard" built-in SHADOW surface error options. The beamline performances at three different x-ray photon energies: 20358 eV, 10778 eV, and 2101 eV, under different focusing conditions, have been studied. We compare beamline simulations performed with both software packages. In particular, we stress that the neglect of wavefront diffraction effects in geometrical ray-tracing approach results in significant discrepancies in beam spot size and beam shape, the correct assessments of which are crucial in determining the future performance of an instrument.
C1 [Zhernenkov, Mikhail; Canestrari, Niccolo; Chubar, Oleg; DiMasi, Elaine] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
RP Zhernenkov, M (reprint author), Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
EM zherne@bnl.gov
OI Zhernenkov, Mikhail/0000-0003-3604-0672
NR 16
TC 0
Z9 0
U1 1
U2 6
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-236-9
J9 PROC SPIE
PY 2014
VL 9209
AR 92090G
DI 10.1117/12.2060889
PG 9
WC Engineering, Electrical & Electronic; Optics
SC Engineering; Optics
GA BB5PE
UT WOS:000344012500013
ER
PT J
AU Mun, E
Wilcox, J
Manson, JL
Scott, B
Tobash, P
Zapf, VS
AF Mun, Eundeok
Wilcox, Jason
Manson, Jamie L.
Scott, Brian
Tobash, Paul
Zapf, Vivien S.
TI The Origin and Coupling Mechanism of the Magnetoelectric Effect in
TMCl2-4SC(NH2)(2) (TM = Ni and Co)
SO ADVANCES IN CONDENSED MATTER PHYSICS
LA English
DT Article
ID COBALT CHLORIDE; THIOUREA; MAGNETS
AB Most research on multiferroics and magnetoelectric effects to date has focused on inorganic oxides. Molecule-based materials are a relatively new field in which to search for magnetoelectric multiferroics and to explore new coupling mechanisms between electric and magnetic order. We present magnetoelectric behavior in NiCl2-4SC(NH2)(2) (DTN) and CoCl2-4SC(NH2)(2) (DTC). These compounds form tetragonal structures where the transition metal ion (Ni or Co) is surrounded by four electrically polar thiourea molecules [SC(NH2)(2)]. By tracking the magnetic and electric properties of these compounds as a function of magnetic field, we gain insights into the coupling mechanism by observing that, in DTN, the electric polarization tracks the magnetic ordering, whereas in DTC it does not. For DTN, all electrically polar thiourea molecules tilt in the same direction along the c-axis, breaking spatial-inversion symmetry, whereas, for DTC, two thiourea molecules tilt up and two tilt down with respect to c-axis, perfectly canceling the net electrical polarization. Thus, the magnetoelectric coupling mechanism in DTN is likely a magnetostrictive adjustment of the thiourea molecule orientation in response to magnetic order.
C1 [Mun, Eundeok; Zapf, Vivien S.] Los Alamos Natl Lab, MPA CMMS Grp, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA.
[Mun, Eundeok] Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada.
[Wilcox, Jason; Manson, Jamie L.] Eastern Washington Univ, Dept Chem & Biochem, Cheney, WA 99004 USA.
[Scott, Brian] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Tobash, Paul] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
RP Zapf, VS (reprint author), Los Alamos Natl Lab, MPA CMMS Grp, Natl High Magnet Field Lab, POB 1663, Los Alamos, NM 87545 USA.
EM vzapf@lanl.gov
RI Scott, Brian/D-8995-2017;
OI Scott, Brian/0000-0003-0468-5396; Mun, Eundeok/0000-0001-5120-1492
FU U.S. National Science Foundation [DMR-1157490, DMR-1306158]; State of
Florida; U.S. Department of Energy; Department of Energy's Laboratory
Directed Research and Development program
FX High magnetic field measurements were conducted at the NHMFL
pulsed-field facility, which is supported by the U.S. National Science
Foundation through Cooperative Grant no. DMR-1157490, the State of
Florida, and the U.S. Department of Energy. Work at LANL was supported
by the Department of Energy's Laboratory Directed Research and
Development program. The work at EWU was supported by the U.S. National
Science Foundation under Grant no. DMR-1306158.
NR 17
TC 0
Z9 0
U1 2
U2 11
PU HINDAWI PUBLISHING CORPORATION
PI NEW YORK
PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA
SN 1687-8108
EI 1687-8124
J9 ADV COND MATTER PHYS
JI Adv. Condens. Matter Phys.
PY 2014
AR 512621
DI 10.1155/2014/512621
PG 4
WC Physics, Condensed Matter
SC Physics
GA AS5MR
UT WOS:000344315400001
ER
PT J
AU Matsui, H
Koike, M
Kondo, Y
Fast, JD
Takigawa, M
AF Matsui, H.
Koike, M.
Kondo, Y.
Fast, J. D.
Takigawa, M.
TI Development of an aerosol microphysical module: Aerosol Two-dimensional
bin module for foRmation and Aging Simulation (ATRAS)
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID SECONDARY ORGANIC AEROSOL; LASER-INDUCED INCANDESCENCE; BASIS-SET
APPROACH; MIXING STATE; BLACK CARBON; PARTICLE FORMATION; ATMOSPHERIC
PARTICLES; NUMBER CONCENTRATIONS; BOUNDARY-LAYER; MODEL
AB Number concentrations, size distributions, and mixing states of aerosols are essential parameters for accurate estimations of aerosol direct and indirect effects. In this study, we develop an aerosol module, designated the Aerosol Two-dimensional bin module for foRmation and Aging Simulation (ATRAS), that can explicitly represent these parameters by considering new particle formation (NPF), black carbon (BC) aging, and secondary organic aerosol (SOA) processes. A two-dimensional bin representation is used for particles with dry diameters from 40 nm to 10 mu m to resolve both aerosol sizes (12 bins) and BC mixing states (10 bins) for a total of 120 bins. The particles with diameters between 1 and 40 nm are resolved using additional eight size bins to calculate NPF. The ATRAS module is implemented in the WRF-Chem model and applied to examine the sensitivity of simulated mass, number, size distributions, and optical and radiative parameters of aerosols to NPF, BC aging, and SOA processes over East Asia during the spring of 2009. The BC absorption enhancement by coating materials is about 50% over East Asia during the spring, and the contribution of SOA processes to the absorption enhancement is estimated to be 10-20% over northern East Asia and 20-35% over southern East Asia. A clear north-south contrast is also found between the impacts of NPF and SOA processes on cloud condensation nuclei (CCN) concentrations: NPF increases CCN concentrations at higher supersaturations (smaller particles) over northern East Asia, whereas SOA increases CCN concentrations at lower supersaturations (larger particles) over southern East Asia. The application of ATRAS in East Asia also shows that the impact of each process on each optical and radiative parameter depends strongly on the process and the parameter in question. The module can be used in the future as a benchmark model to evaluate the accuracy of simpler aerosol models and examine interactions between NPF, BC aging, and SOA processes under different meteorological conditions and emissions.
C1 [Matsui, H.; Takigawa, M.] Japan Agcy Marine Earth Sci & Technol, Dept Environm Geochem Cycle Res, Yokosuka, Kanagawa, Japan.
[Koike, M.; Kondo, Y.] Univ Tokyo, Grad Sch Sci, Dept Earth & Planetary Sci, Tokyo 113, Japan.
[Fast, J. D.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Matsui, H (reprint author), Japan Agcy Marine Earth Sci & Technol, Dept Environm Geochem Cycle Res, Yokosuka, Kanagawa, Japan.
EM matsui@jamstec.go.jp
FU Ministry of Education, Culture, Sports, Science, and Technology; Japan
Society for the Promotion of Science (MEXT/JSPS), KAKENHI [26740014,
23221001]; GRENE Arctic Climate Change Research Project; Ministry of the
Environment, Japan [2A-1101, 2-1403]; Alliance for Global Sustainability
project of the University of Tokyo; US Department of Energy (DOE)
Atmospheric System Research (ASR) program [DE-AC06-76RLO 1830]
FX This work was supported by the Ministry of Education, Culture, Sports,
Science, and Technology and the Japan Society for the Promotion of
Science (MEXT/JSPS), KAKENHI grant numbers 26740014 and 23221001 and the
GRENE Arctic Climate Change Research Project. This work was also
supported by the strategic international cooperative program of the
Japan Science and Technology Agency, by the global environment research
fund of the Ministry of the Environment, Japan (2A-1101 and 2-1403), and
the Alliance for Global Sustainability project of the University of
Tokyo. The authors thank Nobuhiro Moteki (University of Tokyo), Nobuyuki
Takegawa (University of Tokyo, now at Tokyo Metropolitan University),
Akinori Takami (National Institute for Environmental Studies), Yugo
Kanaya (Japan Agency for Marine-Earth Science and Technology), Soonchang
Yoon (Seoul National University), and Sang-Woo Kim (Seoul National
University) for providing the measurement data during the A-FORCE
campaign. For some of the simulations, we used the supercomputer systems
at the University of Tokyo and Japan Agency for Marine-Earth Science and
Technology. J. D. Fast was supported by the US Department of Energy
(DOE) Atmospheric System Research (ASR) program under contract
DE-AC06-76RLO 1830 at PNNL. PNNL is operated for the US DOE by Battelle
Memorial Institute.
NR 75
TC 8
Z9 8
U1 4
U2 16
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2014
VL 14
IS 18
BP 10315
EP 10331
DI 10.5194/acp-14-10315-2014
PG 17
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AS3GM
UT WOS:000344165600010
ER
PT J
AU Resat, H
Renslow, RS
Beyenal, H
AF Resat, Haluk
Renslow, Ryan S.
Beyenal, Haluk
TI Reconstruction of biofilm images: combining local and global structural
parameters
SO BIOFOULING
LA English
DT Article
DE biofilm; reconstruction; quantification; image; image analysis;
structure; local structure
ID LASER-SCANNING MICROSCOPY; MICROBIAL BIOFILMS; BACTERIAL BIOFILMS;
QUANTIFICATION; PROGRAM; ECOLOGY
AB Digitized images can be used for quantitative comparison of biofilms grown under different conditions. Using biofilm image reconstruction, it was previously found that biofilms with a completely different look can have nearly identical structural parameters and that the most commonly utilized global structural parameters were not sufficient to uniquely define these biofilms. Here, additional local and global parameters are introduced to show that these parameters considerably increase the reliability of the image reconstruction process. Assessment using human evaluators indicated that the correct identification rate of the reconstructed images increased from 50% to 72% with the introduction of the new parameters into the reconstruction procedure. An expanded set of parameters especially improved the identification of biofilm structures with internal orientational features and of structures in which colony sizes and spatial locations varied. Hence, the newly introduced structural parameter sets helped to better classify the biofilms by incorporating finer local structural details into the reconstruction process.
C1 [Resat, Haluk; Beyenal, Haluk] Washington State Univ, Gene & Linda Voiland Sch Chem Engn & Bioengn, Pullman, WA 99164 USA.
[Renslow, Ryan S.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
RP Resat, H (reprint author), Washington State Univ, Gene & Linda Voiland Sch Chem Engn & Bioengn, Pullman, WA 99164 USA.
EM haluk.resat@wsu.edu
FU NSF-CAREER award [0954186]; Fundamental and Applied Chemical and
Biological Catalysts to Minimize Climate Change; Create a Sustainable
Energy Future; Provide a Safer Food Supply [WNP00807]
FX H. Beyenal acknowledges NSF-CAREER award no 0954186 and Fundamental and
Applied Chemical and Biological Catalysts to Minimize Climate Change,
Create a Sustainable Energy Future, and Provide a Safer Food Supply
[with project no WNP00807]. R. Renslow acknowledges 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 the Linus Pauling Distinguished
Postdoctoral Fellowship at Pacific Northwest National Laboratory.
NR 31
TC 3
Z9 3
U1 3
U2 12
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 0892-7014
EI 1029-2454
J9 BIOFOULING
JI Biofouling
PY 2014
VL 30
IS 9
BP 1141
EP 1154
DI 10.1080/08927014.2014.969721
PG 14
WC Biotechnology & Applied Microbiology; Marine & Freshwater Biology
SC Biotechnology & Applied Microbiology; Marine & Freshwater Biology
GA AS5OO
UT WOS:000344320100011
PM 25377487
ER
PT J
AU Smolander, S
He, Q
Mogensen, D
Zhou, L
Back, J
Ruuskanen, T
Noe, S
Guenther, A
Aaltonen, H
Kulmala, M
Boy, M
AF Smolander, S.
He, Q.
Mogensen, D.
Zhou, L.
Back, J.
Ruuskanen, T.
Noe, S.
Guenther, A.
Aaltonen, H.
Kulmala, M.
Boy, M.
TI Comparing three vegetation monoterpene emission models to measured gas
concentrations with a model of meteorology, air chemistry and chemical
transport
SO BIOGEOSCIENCES
LA English
DT Article
ID VOLATILE ORGANIC-COMPOUNDS; REACTION-MASS-SPECTROMETRY; LONG-TERM
MEASUREMENTS; SCOTS PINE STAND; ISOPRENE EMISSION; BOREAL FOREST;
PTR-MS; COMPOUND EMISSIONS; SEASONAL-VARIATION; FIELD-MEASUREMENTS
AB Biogenic volatile organic compounds (BVOCs) are essential in atmospheric chemistry because of their chemical reactions that produce and destroy tropospheric ozone, their effects on aerosol formation and growth, and their potential influence on global warming. As one of the important BVOC groups, monoterpenes have been a focus of scientific attention in atmospheric research. Detailed regional measurements and model estimates are needed to study emission potential and the monoterpene budget on a global scale. Since the use of empirical measurements for upscaling is limited by many physical and biological factors, such as genetic variation, temperature and light, water availability, seasonal changes, and environmental stresses, comprehensive inventories over larger areas are difficult to obtain. We applied the boundary-layer-chemistry-transport model SOSA (model to Simulate the concentrations of Organic vapours and Sulphuric Acid) to investigate Scots pine (Pinus sylvestris) monoterpene emissions in a boreal coniferous forest at the SMEAR (Station for Measuring forest Ecosystem-Atmosphere Relations) II site, southern Finland. SOSA was applied to simulate monoterpene emissions with three different emission modules: the semiempirical G95, MEGAN (Model of Emissions of Gases and Aerosols from Nature) 2.04 with improved descriptions of temperature and light responses and including also carbonyl emissions, and a process-based model SIM-BIM (Seasonal Isoprenoid synthase Model -Biochemical Isoprenoid biosynthesis Model). For the first time, the emission models included seasonal and diurnal variations in both quantity and chemical species of emitted monoterpenes, based on parameterizations obtained from field measurements. Results indicate that modelling and observations agreed reasonably well and that the model can be used for investigating regional air chemistry questions related to monoterpenes. The predominant modelled monoterpene concentrations, alpha-pinene and Delta(3)-carene, are consistent with observations.
C1 [Smolander, S.; He, Q.; Mogensen, D.; Zhou, L.; Ruuskanen, T.; Kulmala, M.; Boy, M.] Univ Helsinki, Dept Phys, Div Atmospher Sci, Helsinki 00014, Finland.
[He, Q.] Univ Zurich, Dept Geog, Remote Sensing Labs, Zurich, Switzerland.
[Mogensen, D.] Univ Helsinki, Ctr Environm, FIN-00014 Helsinki, Finland.
[Back, J.; Aaltonen, H.] Univ Helsinki, Dept Forest Sci, FIN-00014 Helsinki, Finland.
[Noe, S.] Estonian Univ Life Sci, Inst Agr & Environm Sci, Dept Plant Physiol, Tartu, Estonia.
[Guenther, A.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
RP Smolander, S (reprint author), Finnish Meteorol Inst, POB 503, FIN-00101 Helsinki, Finland.
EM sampo.smolander@helsinki.fi
RI Boy, Michael/C-2920-2015; Guenther, Alex/B-1617-2008; Back,
Jaana/A-7405-2010; Noe, Steffen/G-7549-2016; Kulmala,
Markku/I-7671-2016; Zhou, Luxi/S-4947-2016;
OI Taipale, Ditte/0000-0002-2023-2461; Boy, Michael/0000-0002-8107-4524;
Guenther, Alex/0000-0001-6283-8288; Back, Jaana/0000-0002-6107-667X;
Noe, Steffen/0000-0003-1514-1140; Kulmala, Markku/0000-0003-3464-7825;
Zhou, Luxi/0000-0001-7364-741X; Smolander, Sampo/0000-0003-4538-6384
FU European Community [265148]; ERC Advanced Grant [227463 ATMNUCLE];
Nordic Center of Excellence program (CRAICC - Cryosphere-Atmosphere
Interactions in a Changing Arctic Climate); Academy of Finland Center of
Excellence program [1118615]; Helsinki University Centre for Environment
(HENVI); doctoral program ACCC (Atmospheric Composition and Climate
Change); EU Regional Development Foundation; Environmental Conservation
and Environmental Technology R&D Programme project BioAtmos
[3.2.0802.11-0043]; Internationalization of Science Programme project
INSMEARIN [10.1-6/13/1028]; Estonian Science Foundation [8110]
FX The financial support by the European Community's Seventh Framework
Programme (FP7) in the project PEGASOS (grant agreement 265148), ERC
Advanced Grant No. 227463 ATMNUCLE, Nordic Center of Excellence program
(CRAICC - Cryosphere-Atmosphere Interactions in a Changing Arctic
Climate), Academy of Finland Center of Excellence program (project No.
1118615), Helsinki University Centre for Environment (HENVI), the
doctoral program ACCC (Atmospheric Composition and Climate Change), the
EU Regional Development Foundation, Environmental Conservation and
Environmental Technology R&D Programme project BioAtmos
(3.2.0802.11-0043), the EU Regional Development Foundation,
Internationalization of Science Programme project INSMEARIN
(10.1-6/13/1028) and the Estonian Science Foundation (Grant 8110)
together with computational resources from CSC - IT Center for Science
Ltd are all gratefully acknowledged.
NR 87
TC 11
Z9 11
U1 6
U2 24
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
EI 1726-4189
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2014
VL 11
IS 19
BP 5425
EP 5443
DI 10.5194/bg-11-5425-2014
PG 19
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA AS3CG
UT WOS:000344153200011
ER
PT J
AU Holm, JA
Chambers, JQ
Collins, WD
Higuchi, N
AF Holm, J. A.
Chambers, J. Q.
Collins, W. D.
Higuchi, N.
TI Forest response to increased disturbance in the central Amazon and
comparison to western Amazonian forests
SO BIOGEOSCIENCES
LA English
DT Article
ID CO2-INDUCED CLIMATE-CHANGE; PROCESS-BASED MODEL; LONG-TERM PLOTS;
TROPICAL FORESTS; RAIN-FOREST; CARBON BALANCE; GAP MODEL; ATMOSPHERIC
CHANGE; NORTH-AMERICA; WOOD DENSITY
AB Uncertainties surrounding vegetation response to increased disturbance rates associated with climate change remains a major global change issue for Amazonian forests. Additionally, turnover rates computed as the average of mortality and recruitment rates in the western Amazon basin are doubled when compared to the central Amazon, and notable gradients currently exist in specific wood density and aboveground biomass (AGB) between these two regions. This study investigates the extent to which the variation in disturbance regimes contributes to these regional gradients. To address this issue, we evaluated disturbance-recovery processes in a central Amazonian forest under two scenarios of increased disturbance rates using first ZELIG-TROP, a dynamic vegetation gap model which we calibrated using long-term inventory data, and second using the Community Land Model (CLM), a global land surface model that is part of the Community Earth System Model (CESM). Upon doubling the mortality rate in the central Amazon to mirror the natural disturbance regime in the western Amazon of similar to 2% mortality, the two regions continued to differ in multiple forest processes. With the inclusion of elevated natural disturbances, at steady state, AGB significantly decreased by 41.9% with no significant difference between modeled AGB and empirical AGB from the western Amazon data sets (104 vs. 107 Mg C ha(-1), respectively). However, different processes were responsible for the reductions in AGB between the models and empirical data set. The empirical data set suggests that a decrease in wood density is a driver leading to the reduction in AGB. While decreased stand basal area was the driver of AGB loss in ZELIG-TROP, a forest attribute that does not significantly vary across the Amazon Basin. Further comparisons found that stem density, specific wood density, and basal area growth rates differed between the two Amazonian regions. Last, to help quantify the impacts of increased disturbances on the climate and earth system, we evaluated the fidelity of tree mortality and disturbance in CLM. Similar to ZELIG-TROP, CLM predicted a net carbon loss of 49.9 %, with an insignificant effect on aboveground net primary productivity (ANPP). Decreased leaf area index (LAI) was the driver of AGB loss in CLM, another forest attribute that does not significantly vary across the Amazon Basin, and the temporal variability in carbon stock and fluxes was not replicated in CLM. Our results suggest that (1) the variability between regions cannot be entirely explained by the variability in disturbance regime, but rather potentially sensitive to intrinsic environmental factors; or (2) the models are not accurately simulating all tropical forest characteristics in response to increased disturbances.
C1 [Holm, J. A.; Chambers, J. Q.; Collins, W. D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Chambers, J. Q.] Univ Calif Berkeley, Dept Geog, Berkeley, CA 94720 USA.
[Collins, W. D.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA.
[Higuchi, N.] Inst Nacl de Pesquisas da Amazonia, Dept Silvicultura Trop, Manaus, Amazonas, Brazil.
RP Holm, JA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM jaholm@lbl.gov
RI Chambers, Jeffrey/J-9021-2014; Collins, William/J-3147-2014; Holm,
Jennifer/D-3318-2015
OI Chambers, Jeffrey/0000-0003-3983-7847; Collins,
William/0000-0002-4463-9848; Holm, Jennifer/0000-0001-5921-3068
FU Instituto Nacional de Pesquisas da Amazonia, INPA; National Science
Foundation (NSF); US Department of Energy (DOE); Office of Science,
Office of Biological and Environmental Research of the US Department of
Energy as part of the Terrestrial Ecosystem Science (TES) Program
[DE-AC02-05CH11231]; Office of Science, Office of Biological and
Environmental Research of the US Department of Energy as part of the
Earth System Modeling Program [KP170302]; Office of Science of the US
Department of Energy [DE-AC02-05CH11231]
FX We would like to thank Edgard Tribuzy for data collection near the ZF2
research station, and support from the Instituto Nacional de Pesquisas
da Amazonia, INPA. We would also like to thank the CESM project,
sponsored by the National Science Foundation (NSF) and the US Department
of Energy (DOE), and the administration team that is maintained at the
National Center for Atmospheric Research (NCAR). This research was
supported by the Director, Office of Science, Office of Biological and
Environmental Research of the US Department of Energy under contract no.
DE-AC02-05CH11231 as part of the Terrestrial Ecosystem Science (TES)
Program, and as part of the Earth System Modeling Program (KP170302).
This research used resources of the National Energy Research Scientific
Computing Center, which is supported by the Office of Science of the US
Department of Energy under contract DE-AC02-05CH11231.
NR 111
TC 5
Z9 5
U1 3
U2 34
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
EI 1726-4189
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2014
VL 11
IS 20
BP 5773
EP 5794
DI 10.5194/bg-11-5773-2014
PG 22
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA AT0UD
UT WOS:000344649300008
ER
PT J
AU Knichal, JV
Gee, WJ
Burrows, AD
Raithby, PR
Teat, SJ
Wilson, CC
AF Knichal, Jane V.
Gee, William J.
Burrows, Andrew D.
Raithby, Paul R.
Teat, Simon J.
Wilson, Chick C.
TI A facile single crystal to single crystal transition with significant
structural contraction on desolvation
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID METAL-ORGANIC FRAMEWORK; PHASE-TRANSITION; HIGH-PRESSURE; COORDINATION
POLYMERS; TRANSFORMATION; COMPLEXES; STATE; EXPLORATION; MONOHYDRATE;
POLYMORPHS
AB 5-Ethynyl-1,3-benzenedicarboxylic acid (H(2)ebdc) reacted with lead(II) acetate trihydrate yields a 1D ladder network, [Pb(ebdc)(MeOH)](2)center dot H2O (1). Removing crystals of 1 from the mother liquor results in a facile single crystal to single crystal transition, yielding 2D [Pb(ebdc)] net (2) with a change in space group from I2/a to P (1) over bar.
C1 [Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C.] Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England.
[Teat, Simon J.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94724 USA.
RP Burrows, AD (reprint author), Univ Bath, Dept Chem, Claverton Down, Bath BA2 7AY, Avon, England.
EM C.C.Wilson@bath.ac.uk
OI Gee, William/0000-0002-6520-6216; Raithby, Paul/0000-0002-2944-0662
FU EPSRC [EP/K004956/1]; University of Bath; Office of Science, Office of
Basic Energy Sciences, of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX We are grateful to the EPSRC for financial support of the project
(EP/K004956/1) and the University of Bath for a studentship to JVK. We
would also like to thank the ALS, LBNL for the beamtime to perform these
measurements. 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 32
TC 7
Z9 7
U1 4
U2 35
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 2014
VL 50
IS 92
BP 14436
EP 14439
DI 10.1039/c4cc06587e
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA AS4KN
UT WOS:000344244700038
PM 25303036
ER
PT J
AU Baltrus, JP
McClure, TG
Bikulcius, G
Asadauskas, S
AF Baltrus, John P.
McClure, Ted G.
Bikulcius, Gedvidas
Asadauskas, Svajus
TI Formation of carbonaceous nano-layers under high interfacial pressures
during lubrication with mineral and bio-based oils
SO CHEMIJA
LA English
DT Article
DE lubricants; vegetable oils; tribology; X-ray photoelectron spectroscopy
ID ADDITIVES; ALUMINUM; FRICTION; STEEL; CHEMISTRY; SURFACE; ZDDP;
PERFORMANCE; DEGRADATION; BEHAVIOR
AB In order to better protect steel surfaces against wear under high loads, understanding of chemical reactions between lubricants and metal at high interfacial pressures and elevated temperatures needs to be improved. Solutions at 5 to 20 wt. % of zinc di-2-ethylheicyl dithio phosphate (ZDDP) and chlorinated paraffins (CP) in inhibited paraffinic mineral oil (IPMO) and inhibited soy bean oil (ISBO) were compared on a Twist Compression Tribotester (TCT) at 200 MPa. Microscopy of wear tracks after 10 seconds tribotesting showed much smoother surface profiles than those of unworn areas. X-ray photoelectron spectroscopy (XPS) coupled with Ar-ion sputtering demonstrated that additive solutions in ISBO formed 2-3 times thicker carbon-containing nano-layers compared to IPMO. The amounts of Cl, S or P were unexpectedly low and detectable only on the top surface with less than 5 nm penetration. CP blends in IPMO formed more inorganic chlorides than those in ISBO. It can be concluded that base oils are primarily responsible for the thickness of carbonaceous nano-layers during early stages of severe boundary lubrication, while CP or ZDDP additive contributions are important, but less significant.
C1 [Baltrus, John P.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
[McClure, Ted G.] TribSys LLC, Valparaiso, IN 46935 USA.
[Bikulcius, Gedvidas; Asadauskas, Svajus] Ctr Phys Sci & Technol, Inst Chem, Vilnius, Lithuania.
RP Asadauskas, S (reprint author), Ctr Phys Sci & Technol, Inst Chem, A Gostauto St 9, Vilnius, Lithuania.
EM asadauskas@chi.lt
FU European Social Fund Agency [VP1-3.1-SMM-08-K-01-014]
FX This study was partly supported by the European Social Fund Agency under
the Project "High Tech Materials Developing Research and Application"
No. VP1-3.1-SMM-08-K-01-014. Technical advice and guidance of the
colleagues from the Institute of Chemistry (Vilnius), who also operate
XPS, is deeply appreciated. Partnership with Fuchs Lubricants Co.
(Harvey, Illinois), coordinated through J. Deodhar and J. Mieczkowski,
is cordially acknowledged.
NR 31
TC 0
Z9 0
U1 3
U2 6
PU LIETUVOS MOKSLU AKAD LEIDYKLA
PI VILNIUS
PA GEDIMINO PR.3, VILNIUS, LT-2600, LITHUANIA
SN 0235-7216
J9 CHEMIJA
JI Chemija
PY 2014
VL 25
IS 3
BP 161
EP 170
PG 10
WC Chemistry, Multidisciplinary
SC Chemistry
GA AS7DA
UT WOS:000344416400005
ER
PT J
AU Shusterman, J
Mason, H
Bruchet, A
Zavarin, M
Kersting, AB
Nitsche, H
AF Shusterman, Jennifer
Mason, Harris
Bruchet, Anthony
Zavarin, Mavrik
Kersting, Annie B.
Nitsche, Heino
TI Analysis of trivalent cation complexation to functionalized mesoporous
silica using solid-state NMR spectroscopy
SO DALTON TRANSACTIONS
LA English
DT Article
ID SELF-ASSEMBLED MONOLAYERS; SC-45 NMR; MAS-NMR; AL-27 NMR; EXTRACTION;
SCANDIUM; SURFACE; COORDINATION; SEPARATION; LANTHANIDE
AB Functionalized mesoporous silica has applications in separations science, catalysis, and sensors. In this work, we studied the fundamental interactions of trivalent cations with functionalized mesoporous silica. We contacted trivalent cations of varying ionic radii with N-[5-(trimethoxysilyl)-2-aza-1-oxopentyl] caprolactam functionalized mesoporous silica with the aim of probing the binding mechanism of the metal to the surface of the solid. We studied the functionalized silica using solid-state nuclear magnetic resonance (NMR) spectroscopy before and after contact with the metals of interest. We collected NMR spectra of the various metals, as well as of Si-29 and C-13 to probe the silica substrate and the ligand properties, respectively. The NMR spectra indicate that the metals bind to the functionalized silica via two mechanisms. Aluminum sorbed to both the silica and the ligand, but with different coordination for each. Scandium also sorbed to both the silica and the ligand, and unlike the aluminum, had the same coordination number. Additionally, the functionalized silica was susceptible to acid hydrolysis and two primary mechanisms of degradation were observed: detachment from the silica surface and opening of the seven-membered ring in the ligand. Opening of the seven-membered ring may be beneficial in that it decreases steric hindrance of the molecule for binding.
C1 [Shusterman, Jennifer; Bruchet, Anthony; Nitsche, Heino] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Mason, Harris; Zavarin, Mavrik; Kersting, Annie B.] Lawrence Livermore Natl Lab, Glenn T Seaborg Inst, Phys & Life Sci Directorate, Livermore, CA 94550 USA.
RP Shusterman, J (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM jennifer.shusterman@berkeley.edu
RI Mason, Harris/F-7194-2011
OI Mason, Harris/0000-0002-1840-0550
FU National Nuclear Security Administration (NNSA) under the Stewardship
Science Academic Alliance Program [DE-NA0001978]; Subsurface
Biogeochemical Research Program of the U.S. Department of Energy's
Office of Biological and Environmental Research; Lawrence Livermore
National Laboratory [DE-AC52-07NA27344]; DOE NNSA Stewardship Science
Graduate [DE-FC52-08NA28752]
FX The authors would like to thank Professor A. Katz of the University of
California, Berkeley for the TGA measurements. This work was supported
by the National Nuclear Security Administration (NNSA) under the
Stewardship Science Academic Alliance Program, award number DE-NA0001978
and by the Subsurface Biogeochemical Research Program of the U.S.
Department of Energy's Office of Biological and Environmental Research.
This work was performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory under Contract
DE-AC52-07NA27344. J.S. is supported by a DOE NNSA Stewardship Science
Graduate Fellowship under Contract no. DE-FC52-08NA28752.
NR 49
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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 2014
VL 43
IS 44
BP 16649
EP 16658
DI 10.1039/c4dt02380c
PG 10
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA AS4MQ
UT WOS:000344250800014
PM 25265419
ER
PT J
AU Mellmer, MA
Alonso, DM
Luterbacher, JS
Gallo, JMR
Dumesic, JA
AF Mellmer, Max A.
Alonso, David Martin
Luterbacher, Jeremy S.
Gallo, Jean Marcel R.
Dumesic, James A.
TI Effects of gamma-valerolactone in hydrolysis of lignocellulosic biomass
to monosaccharides
SO GREEN CHEMISTRY
LA English
DT Article
ID SOLID ACID CATALYSTS; DIRECT CONVERSION; CELLULOSE; SOLVENT; CHEMICALS;
FUELS; HEMICELLULOSE; FRUCTOSE; KINETICS; GLUCOSE
AB The use of gamma-valerolactone as solvent for acid-catalyzed biomass hydrolysis reactions increases reaction rates compared to reactions carried out in water. In addition, a low apparent activation energy for biomass hydrolysis and a higher value for monosaccharide conversion are displayed using GVL as solvent, leading to favorable energetics for monosaccharide production from biomass.
C1 [Mellmer, Max A.; Alonso, David Martin; Luterbacher, Jeremy S.; Gallo, Jean Marcel R.; Dumesic, James A.] Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA.
[Mellmer, Max A.; Luterbacher, Jeremy S.; Dumesic, James A.] Univ Wisconsin, DOE Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA.
RP Mellmer, MA (reprint author), Univ Wisconsin, Dept Chem & Biol Engn, 1415 Engn Dr, Madison, WI 53706 USA.
EM dumesic@engr.wisc.edu
RI Gallo, Jean Marcel/C-9985-2013
OI Gallo, Jean Marcel/0000-0003-2937-2628
FU U.S. Department of Energy Office of Basic Energy Sciences; DOE Great
Lakes Bioenergy Research Center; U.S. Department of Energy, Office of
Science, Office of Biological and Environmental Research [BER
DE-FC02-07ER64494]; Glucan Biorenewables, LLC
FX This work was supported in part by the U.S. Department of Energy Office
of Basic Energy Sciences and by the DOE Great Lakes Bioenergy Research
Center (http://www.glbrc.org), which is supported by the U.S. Department
of Energy, Office of Science, Office of Biological and Environmental
Research, through Cooperative Agreement BER DE-FC02-07ER64494 between
The Board of Regents of the University of Wisconsin System and the U.S.
Department of Energy. D.M.A. acknowledges financial support from Glucan
Biorenewables, LLC. We acknowledge Jiayao Chen, Janneth Lopez Mercado,
and Canan Sener for help with experiments.
NR 25
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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 2014
VL 16
IS 11
BP 4659
EP 4662
DI 10.1039/c4gc01768d
PG 4
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY
SC Chemistry; Science & Technology - Other Topics
GA AS2AJ
UT WOS:000344081100006
ER
PT S
AU Baker, S
Brown, K
Curtis, A
Lutz, SS
Howe, R
Malone, R
Mitchell, S
Danielson, J
Haines, T
Kwiatkowski, K
AF Baker, Stuart
Brown, Kristina
Curtis, Alden
Lutz, Stephen S.
Howe, Russell
Malone, Robert
Mitchell, Stephen
Danielson, Jeremy
Haines, Todd
Kwiatkowski, Kris
BE Burger, A
Franks, L
James, RB
Fiederle, M
TI Scintillator efficiency study with MeV x-rays
SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XVI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT SPIE Conference on Hard X-Ray, Gamma-Ray and Neutron Detector Physics
XVI
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE scintillator; radiography; CCD camera; hard x-ray; imaging
AB We have investigated scintillator efficiency for MeV radiographic imaging. This paper discusses the modeled detection efficiency and measured brightness of a number of scintillator materials. An optical imaging camera records images of scintillator emission excited by a pulsed x-ray machine. The efficiency of various thicknesses of monolithic LYSO:Ce (cerium-doped lutetium yttrium orthosilicate) are being studied to understand brightness and resolution trade-offs compared with a range of micro-columnar CsI:Tl (thallium-doped cesium iodide) scintillator screens. The micro-columnar scintillator structure apparently provides an optical gain mechanism that results in brighter signals from thinner samples. The trade-offs for brightness versus resolution in monolithic scintillators is straightforward. For higher-energy x-rays, thicker materials generally produce brighter signal due to x-ray absorption and the optical emission properties of the material. However, as scintillator thickness is increased, detector blur begins to dominate imaging system resolution due to the volume image generated in the scintillator thickness and the depth of field of the imaging system. We employ a telecentric optical relay lens to image the scintillator onto a recording CCD camera. The telecentric lens helps provide sharp focus through thicker-volume emitting scintillators. Stray light from scintillator emission can also affect the image scene contrast. We have applied an optical light scatter model to the imaging system to minimize scatter sources and maximize scene contrasts.
C1 [Baker, Stuart; Brown, Kristina; Curtis, Alden; Malone, Robert] Natl Secur Technol LLC, POB 809, Los Alamos, NM 87544 USA.
[Lutz, Stephen S.] Natl Secur Technol LLC, Special Technologies Lab, Santa Barbara, CA 93111 USA.
[Howe, Russell; Mitchell, Stephen] Natl Secur Technol LLC, Las Vegas, NV 89193 USA.
[Danielson, Jeremy; Haines, Todd; Kwiatkowski, Kris] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Baker, S (reprint author), Natl Secur Technol LLC, POB 809, Los Alamos, NM 87544 USA.
EM bakersa@nv.doe.gov
FU National Security Technologies; LLC [DE- AC5206NA25946]; U. S.
Department of Energy
FX This manuscript has been authored by National Security Technologies,
LLC, under Contract No. DE- AC5206NA25946 with the U. S. Department of
Energy and supported by the Site-Directed Research and Development
Program. 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 forms of the
manuscript, or allow others to do so, for United States Government
purposes.
NR 14
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PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-240-6
J9 PROC SPIE
PY 2014
VL 9213
AR UNSP 92130H
DI 10.1117/12.2064028
PG 10
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5XK
UT WOS:000344183600011
ER
PT S
AU Beck, PR
Cherepy, NJ
Payne, SA
Swanberg, EL
Nelson, KE
Thelin, PA
Fisher, SE
Hunter, S
Wihl, BM
Shah, KS
Hawrami, R
Burger, A
Boatner, LA
Momayezi, M
Stevens, KT
Randles, MH
Solodovnikov, D
AF Beck, P. R.
Cherepy, N. J.
Payne, S. A.
Swanberg, E. L.
Nelson, K. E.
Thelin, P. A.
Fisher, S. E.
Hunter, S.
Wihl, B. M.
Shah, K. S.
Hawrami, R.
Burger, A.
Boatner, L. A.
Momayezi, M.
Stevens, K. T.
Randles, M. H.
Solodovnikov, D.
BE Burger, A
Franks, L
James, RB
Fiederle, M
TI Strontium Iodide Instrument Development for Gamma Spectroscopy and
Radioisotope Identification
SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XVI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT SPIE Conference on Hard X-Ray, Gamma-Ray and Neutron Detector Physics
XVI
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE scintillators; gamma ray detection; energy resolution; radioisotope
identification
ID SCINTILLATOR NON-PROPORTIONALITY
AB Development of the Europium-doped Strontium Iodide scintillator, SrI2(Eu2+), has progressed significantly in recent years. SrI2(Eu2+) has excellent material properties for gamma ray spectroscopy: high light yield (>80,000 ph/MeV), excellent light yield proportionality, and high effective atomic number (Z = 49) for high photoelectric cross-section. High quality 1.5 '' and 2 '' diameter boules are now available due to rapid advances in SrI2(Eu) crystal growth. In these large SrI2(Eu) crystals, optical self-absorption by Eu2+ degrades the energy resolution as measured by analog electronics, but we mitigate this effect through on-the-fly correction of the scintillation pulses by digital readout electronics. Using this digital correction technique we have demonstrated energy resolution of 2.9% FWHM at 662 keV for a 4 in(3) SrI2(Eu) crystal, over 2.6 inches long. Based on this digital readout technology, we have developed a detector prototype with greatly improved radioisotope identification capability compared to Sodium Iodide, NaI(Tl). The higher resolution of SrI2(Eu) yields a factor of 2 to 5 improvement in radioisotope identification (RIID) error rate compared to NaI(Tl).
C1 [Beck, P. R.; Cherepy, N. J.; Payne, S. A.; Swanberg, E. L.; Nelson, K. E.; Thelin, P. A.; Fisher, S. E.; Hunter, S.; Wihl, B. M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Shah, K. S.; Hawrami, R.] Radiat Monitoring Devices, Watertown, MA USA.
[Burger, A.; Momayezi, M.] Fisk Univ, Nashville, TN USA.
[Boatner, L. A.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Momayezi, M.] Bridgeport Instruments, Austin, TX USA.
[Stevens, K. T.; Randles, M. H.; Solodovnikov, D.] Northrop Grumman SYNOPTICS, Charlotte, NC USA.
RP Beck, PR (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RI Cherepy, Nerine/F-6176-2013; Boatner, Lynn/I-6428-2013
OI Cherepy, Nerine/0000-0001-8561-923X; Boatner, Lynn/0000-0002-0235-7594
FU U. S. DOE; Lawrence Livermore National Laboratory [DE-AC52-07NA27344];
US Department of Homeland Security, Domestic Nuclear Detection Office;
IAA [HSHQDC-12-X-00149]
FX This work was performed under the auspices of the U. S. DOE by Lawrence
Livermore National Laboratory under Contract DE-AC52-07NA27344, and has
been supported by the US Department of Homeland Security, Domestic
Nuclear Detection Office, under competitively awarded IAA
HSHQDC-12-X-00149. This support does not constitute an express or
implied endorsement on the part of the Government. Research at the Oak
Ridge National Laboratory was performed in the Synthesis and Properties
of Novel Materials Group of the ORNL Materials Science and Technology
Division.
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PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-240-6
J9 PROC SPIE
PY 2014
VL 9213
AR UNSP 92130N
DI 10.1117/12.2063056
PG 9
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5XK
UT WOS:000344183600016
ER
PT S
AU Boatner, LA
Ramey, JO
Kolopus, JA
Neal, JS
Cherepy, NJ
Payne, SA
Beck, PR
Burger, A
Rowe, E
Bhattacharya, P
AF Boatner, L. A.
Ramey, J. O.
Kolopus, J. A.
Neal, J. S.
Cherepy, N. J.
Payne, S. A.
Beck, P. R.
Burger, A.
Rowe, E.
Bhattacharya, P.
BE Burger, A
Franks, L
James, RB
Fiederle, M
TI Advances in the growth of alkaline-earth halide single crystals for
scintillator detectors
SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XVI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT SPIE Conference on Hard X-Ray, Gamma-Ray and Neutron Detector Physics
XVI
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE scintillators; gamma ray detection; single crystal growth; energy
resolution
ID CAI2
AB Alkaline-earth scintillators such as strontium iodide and other alkaline-earth halides activated with divalent europium represent some of the most efficient and highest energy resolution scintillators for use as gamma-ray detectors in a wide range of applications. These applications include the areas of nuclear nonproliferation, homeland security, the detection of undeclared nuclear material, nuclear physics and materials science, medical diagnostics, space physics, high energy physics, and radiation monitoring systems for first responders, police, and fire/rescue personnel. Recent advances in the growth of large single crystals of these scintillator materials hold the promise of higher crystal yields and significantly lower detector production costs. In the present work, we describe new processing protocols that, when combined with our molten salt filtration methods, have led to advances in achieving a significant reduction of cracking effects during the growth of single crystals of SrI2:Eu2+. In particular, we have found that extended pumping on the molten crystal-growth charge under vacuum for time periods extending up to 48 hours is generally beneficial in compensating for variations in the alkaline-earth halide purity and stoichiometry of the materials as initially supplied by commercial sources. These melt-pumping and processing techniques are now being applied to the purification of CaI2:Eu2+ and some mixed-anion europium-doped alkaline-earth halides prior to single-crystal growth by means of the vertical Bridgman technique. The results of initial studies of the effects of aliovalent doping of SrI2:Eu2+ on the scintillation characteristics of this material are also described.
C1 [Boatner, L. A.; Ramey, J. O.; Kolopus, J. A.; Neal, J. S.] Oak Ridge Natl Lab, Ctr Radiat Detect Mat & Syst, Oak Ridge, TN 37831 USA.
[Boatner, L. A.; Ramey, J. O.; Kolopus, J. A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Boatner, L. A.; Ramey, J. O.; Kolopus, J. A.] Oak Ridge Natl Lab, Nucl Secur & Istope Technol Div, Oak Ridge, TN 37831 USA.
[Cherepy, N. J.; Payne, S. A.; Beck, P. R.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Burger, A.; Rowe, E.; Bhattacharya, P.] Fisk Univ, Nashville, TN 37201 USA.
RP Boatner, LA (reprint author), Oak Ridge Natl Lab, Ctr Radiat Detect Mat & Syst, Oak Ridge, TN 37831 USA.
RI Cherepy, Nerine/F-6176-2013; Boatner, Lynn/I-6428-2013; Neal,
John/R-8203-2016
OI Cherepy, Nerine/0000-0001-8561-923X; Boatner, Lynn/0000-0002-0235-7594;
Neal, John/0000-0001-8337-5235
FU ORNL; Oak Ridge National Laboratory; Lawrence Livermore National
Laboratory [DE- AC52- 07NA27344]; National Nuclear Security
Administration; Office of Nonproliferation Research and Development [NA-
22]; U. S. DOE; U. S, Department of Homeland Security; Domestic Nuclear
Detection Office [IAA- HSHQDC- 12- X- 00149]
FX Research at ORNL was sponsored by the Laboratory Directed Research and
Development program of Oak Ridge National Laboratory, managed by UT-
Battelle, LLC, for the U. S. Department of Energy. Other ORNL
contributions by Shelby L. Brackett, a Higher Education Research
Experience ( HERE) participant and by both Alexandra E. Vandegrift and
Jason W. Craig, who fabricated the quartz growth- charge preparation
system described here, are gratefully acknowledged. Additionally, the
cooperation of Sean Dingman, formerly of Sigma Aldrich, Inc., and Edward
Donohoe of Sigma Aldrich, Inc. in working toward the solution of SrI2
crystal growth material issues is gratefully acknowledged. This work was
also supported by Lawrence Livermore National Laboratory under Contract
DE- AC52- 07NA27344. Funding was also provided by the National Nuclear
Security Administration, Office of Nonproliferation Research and
Development ( NA- 22) of the U. S. DOE and by the U. S, Department of
Homeland Security, Domestic Nuclear Detection Office, under
competitively awarded IAA- HSHQDC- 12- X- 00149. This support does not
constitute an express or implied endorsement on the part of the
Government.
NR 8
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PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-240-6
J9 PROC SPIE
PY 2014
VL 9213
AR UNSP 92130J
DI 10.1117/12.2063382
PG 11
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5XK
UT WOS:000344183600012
ER
PT S
AU Cherepy, NJ
Seeley, ZM
Payne, SA
Beck, PR
Swanberg, EL
Hunter, S
Ahle, L
Fisher, SE
Melcher, C
Wei, H
Stefanik, T
Chung, YS
Kindem, J
AF Cherepy, N. J.
Seeley, Z. M.
Payne, S. A.
Beck, P. R.
Swanberg, E. L.
Hunter, S.
Ahle, L.
Fisher, S. E.
Melcher, C.
Wei, H.
Stefanik, T.
Chung, Y. -S.
Kindem, J.
BE Burger, A
Franks, L
James, RB
Fiederle, M
TI High Energy Resolution Transparent Ceramic Garnet Scintillators
SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XVI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT SPIE Conference on Hard X-Ray, Gamma-Ray and Neutron Detector Physics
XVI
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE scintillators; gamma ray detection; gamma spectrometers; transparent
ceramics; garnets
ID FLAME SPRAY-PYROLYSIS; CRYSTAL-GROWTH
AB Breakthrough energy resolution, R(662keV) < 4%, has been achieved with an oxide scintillator, Cerium-doped Gadolinium Yttrium Gallium Aluminum Garnet, or GYGAG(Ce). Transparent ceramic GYGAG(Ce), has a peak emission wavelength of 550 nm that is better matched to Silicon photodetectors than to standard PMTs. We are therefore developing a spectrometer based on pixelated GYGAG(Ce) on a Silicon photodiode array that can provide R(662 keV) = 3.6%. In comparison, with large 1-2 in(3) size GYGAG(Ce) ceramics we obtain R(662 keV) = 4.6% with PMT readout. We find that ceramic GYGAG(Ce) of a given stoichiometric chemical composition can exhibit very different scintillation properties, depending on sintering conditions and post-anneal treatments. Among the characteristics of transparent ceramic garnet scintillators that can be controlled by fabrication conditions are: scintillation decay components and their amplitudes, intensity and duration of afterglow, thermoluminescence glow curve peak positions and amplitudes, integrated light yield, light yield non-proportionality - as measured in the Scintillator Light Yield Non-Proportionality Characterization Instrument (SLYNCI), and energy resolution for gamma spectroscopy. Garnet samples exhibiting a significant fraction of Cerium dopant in the tetravalent valence also exhibit: faster overall scintillation decay, very low afterglow, high light yield, but poor light yield proportionality and degraded energy resolution.
C1 [Cherepy, N. J.; Seeley, Z. M.; Payne, S. A.; Beck, P. R.; Swanberg, E. L.; Hunter, S.; Ahle, L.; Fisher, S. E.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Melcher, C.; Wei, H.] Univ Tennessee, Knoxville, TN 37996 USA.
[Stefanik, T.; Chung, Y. -S.] Nanocerox Inc, Ann Arbor, MI 48108 USA.
[Kindem, J.] Cokiya Inc, San Diego, CA USA.
RP Cherepy, NJ (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RI Cherepy, Nerine/F-6176-2013; Melcher, Charles/E-9818-2012;
OI Cherepy, Nerine/0000-0001-8561-923X; Melcher,
Charles/0000-0002-4586-4764; Wei, Hua/0000-0002-8766-1818
FU U. S. DOE; Lawrence Livermore National Laboratory [DE-AC52-07NA27344];
US Department of Homeland Security; Domestic Nuclear Detection Office;
IAA [HSHQDC-12-X-00149]; US DOE National Nuclear Security
Administration, Defense Nuclear Nonproliferation Research and
Development [DE-AC03-76SF00098]
FX We would like to thank Morgan Burks of LLNL for obtaining the germanium
spectrum in Fig. 4 with his mechanically cooled detector. This work was
performed under the auspices of the U. S. DOE by Lawrence Livermore
National Laboratory under Contract DE-AC52-07NA27344, and has been
supported by the US Department of Homeland Security, Domestic Nuclear
Detection Office, under competitively awarded IAA HSHQDC-12-X-00149, and
the US DOE National Nuclear Security Administration, Defense Nuclear
Nonproliferation Research and Development under Contract No.
DE-AC03-76SF00098. This support does not constitute an express or
implied endorsement on the part of the Government.
NR 22
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PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-240-6
J9 PROC SPIE
PY 2014
VL 9213
AR UNSP 921302
DI 10.1117/12.2062959
PG 6
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5XK
UT WOS:000344183600002
ER
PT S
AU Fochuk, P
Rarenko, I
Zakharuk, Z
Nykoniuk, Y
Shlyahovyj, V
Bolotnikov, AE
Yang, G
James, RB
AF Fochuk, P.
Rarenko, I.
Zakharuk, Z.
Nykoniuk, Ye.
Shlyahovyj, V.
Bolotnikov, A. E.
Yang, Ge
James, R. B.
BE Burger, A
Franks, L
James, RB
Fiederle, M
TI Purifying p-type CdTe crystals by thermal treatment
SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XVI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT SPIE Conference on Hard X-Ray, Gamma-Ray and Neutron Detector Physics
XVI
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE CdTe; Hall effect; annealing; impurities; purification
AB We studied the influence of prolonged thermal treatment on the concentration and the acceptor energy level positions in p-CdTe samples. We found that heating them at 720 K entails a decrease in the concentration of electrically active centers, i.e., a "self-cleaning" of the adverse effects of some contaminants. In samples wherein the conductivity was determined by the concentration of acceptors of the A1 type (E-V + 0.03-0.05) eV, after heating it becomes controlled by a deeper acceptor of the A2 type (E-V + 0.13-0.14) eV, and both the charge-carrier's mobility and the ratio mu(P80)/mu(P300) increase. This effect reflects the fact that during thermal treatment, the A1 acceptors and the compensating donors are removed from their electrically active positions, most likely due to their diffusion and trapping within the inclusions in the CdTe bulk, where they have little or no influence on carrier scattering and trapping.
C1 [Fochuk, P.; Rarenko, I.; Zakharuk, Z.] Chernivtsi Natl Univ, UA-58012 Chernovtsy, Ukraine.
[Nykoniuk, Ye.; Shlyahovyj, V.] Natl Univ Water Management, Nat Resources Applicat, UK-33028 Rivne, Ukraine.
[Bolotnikov, A. E.; Yang, Ge; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Fochuk, P (reprint author), Chernivtsi Natl Univ, UA-58012 Chernovtsy, Ukraine.
RI Fochuk, Petro/D-9409-2016
OI Fochuk, Petro/0000-0002-4149-4882
FU Science & Technology Center of Ukraine [P406]; U. S. Department of
Energy; U. S. Department of Energy, Office of Defence Nuclear
Nonproliferation Research & Development, DNN R D
FX This work is partly supported by the Science & Technology Center of
Ukraine under the project P406 with U. S. Department of Energy, and by
U. S. Department of Energy, Office of Defence Nuclear Nonproliferation
Research & Development, DNN R& D.
NR 3
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PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-240-6
J9 PROC SPIE
PY 2014
VL 9213
AR UNSP 92131H
DI 10.1117/12.2062763
PG 6
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5XK
UT WOS:000344183600033
ER
PT S
AU Hossain, A
Gu, GD
Bolotnikov, AE
Camarda, GS
Cui, Y
Gul, R
Roy, UN
Yang, G
Liu, T
Zhong, R
Schneeloch, J
James, RB
AF Hossain, A.
Gu, G. D.
Bolotnikov, A. E.
Camarda, G. S.
Cui, Y.
Gul, R.
Roy, U. N.
Yang, G.
Liu, T.
Zhong, R.
Schneeloch, J.
James, R. B.
BE Burger, A
Franks, L
James, RB
Fiederle, M
TI Characterization of cadmium manganese telluride (Cd1-xMnxTe) crystals
grown by the modified floating-zone method
SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XVI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT SPIE Conference on Hard X-Ray, Gamma-Ray and Neutron Detector Physics
XVI
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE CdMnTe; Te inclusions; dislocations; IR transmission; spectral response;
mobility-lifetime product
ID GAMMA-RAY DETECTORS
AB Recently, Cadmium Manganese Telluride (CMT) emerged as a promising material for room-temperature X- and gamma-ray detectors. However, our studies revealed several material defects primarily related to growth processes that are impeding the production of large single crystals with high resistivity and high mobility-lifetime product. In this work, we characterized various defects in materials grown by the floating zone method, including twins, Te inclusions, and dislocations, using our unique facilities. We also fabricated detectors from selected CMT crystals and tested their performance. This paper discusses our detailed findings on the material's properties and the performance of fabricated CMT detectors.
C1 [Hossain, A.; Gu, G. D.; Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; Gul, R.; Roy, U. N.; Yang, G.; Liu, T.; Zhong, R.; Schneeloch, J.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Hossain, A (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
RI Zhong, Ruidan/D-5296-2013
OI Zhong, Ruidan/0000-0003-1652-9454
FU U. S. Department of Energy, Office of Nonproliferation Research and
Development, DNN R D; Brookhaven Science Associates, LLC with the U. S.
Department of Energy [DE- AC02- 98CH1- 886]
FX This work was supported by the U. S. Department of Energy, Office of
Nonproliferation Research and Development, DNN R& D. The manuscript has
been authored by Brookhaven Science Associates, LLC under Contract No.
DE- AC02- 98CH1- 886 with the U. S. Department of Energy.
NR 8
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Z9 0
U1 2
U2 9
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-240-6
J9 PROC SPIE
PY 2014
VL 9213
AR UNSP 92131N
DI 10.1117/12.2063357
PG 5
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5XK
UT WOS:000344183600037
ER
PT S
AU Lukosi, E
Herrera, E
Stowe, AC
Milburn, R
Richardson, D
Wiggins, B
Burger, A
Chvala, O
Santodonato, L
Bilheux, H
AF Lukosi, Eric
Herrera, Elan
Stowe, Ashley C.
Milburn, Robert
Richardson, Dylan
Wiggins, Brenden
Burger, Arnold
Chvala, Ondrej
Santodonato, Louis
Bilheux, Hassina
BE Burger, A
Franks, L
James, RB
Fiederle, M
TI Investigation of a Lithium Indium Diselenide detector for neutron
transmission imaging
SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XVI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT SPIE Conference on Hard X-Ray, Gamma-Ray and Neutron Detector Physics
XVI
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE Neutron radiography; lithium indium diselenide; neutron detection;
semiconducting neutron detector; super sampling
ID WATER DISTRIBUTION; COLD NEUTRON; RESOLUTION; RADIOGRAPHY; PEFC
AB The development of a thermal neutron imaging sensor constructed with semiconducting lithium indium diselenide is presented. Both a computational and experimental investigation were conducted. In the computational investigation, it is shown that the imaging potential of Lithium Indium Diselenid (LISe) is excellent, even when using a large pixel pitch through the use of super sampling. In the experimental investigation, it was found that a single pixel LISe detector using detector super sampling shows a spatial variation in the count rate, which is a clear sign of imaging capability. However, a good image was not obtained in the first experiment and may be caused by a variety of experimental conditions. Finally, a search is still underway to find a suitable contact metal with good mechanical adhesion for wedge bonding.
C1 [Lukosi, Eric; Herrera, Elan; Stowe, Ashley C.; Milburn, Robert; Richardson, Dylan; Chvala, Ondrej] Univ Tennessee, Knoxville, TN 37996 USA.
[Stowe, Ashley C.; Wiggins, Brenden] Y 12 Natl Secur Complex, Oak Ridge, TN USA.
[Burger, Arnold] Fisk Univ, Nashville, TN USA.
[Santodonato, Louis; Bilheux, Hassina] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Lukosi, E (reprint author), Univ Tennessee, Knoxville, TN 37996 USA.
RI Bilheux, Hassina/H-4289-2012;
OI Bilheux, Hassina/0000-0001-8574-2449; Santodonato,
Louis/0000-0002-4600-685X
FU National Security Complex [4300090406]; Scientific User Facilities
Division; Office of Basic Energy Sciences, U. S. Department of Energy
FX This work is supported through subcontract number 4300090406 from B& W
Y- 12 National Security Complex. A portion of this research at ORNL's
High Flux Isotope Reactor was sponsored by the Scientific User
Facilities Division, Office of Basic Energy Sciences, U. S. Department
of Energy.
NR 15
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U1 1
U2 5
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-240-6
J9 PROC SPIE
PY 2014
VL 9213
AR UNSP 92130D
DI 10.1117/12.2063039
PG 8
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5XK
UT WOS:000344183600008
ER
PT S
AU Nelson, AJ
Swanberg, EL
Voss, LF
Graff, RT
Conway, AM
Nikolic, RJ
Payne, SA
Kim, H
Cirignano, L
Shah, K
AF Nelson, A. J.
Swanberg, E. L.
Voss, L. F.
Graff, R. T.
Conway, A. M.
Nikolic, R. J.
Payne, S. A.
Kim, H.
Cirignano, L.
Shah, K.
BE Burger, A
Franks, L
James, RB
Fiederle, M
TI Oxidation/Reduction Reactions at the Metal Contact-TlBr Interface: An
X-ray Photoelectron Spectroscopy Study
SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XVI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT SPIE Conference on Hard X-Ray, Gamma-Ray and Neutron Detector Physics
XVI
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE Thallium bromide; photoelectron spectroscopy; radiation detection
ID DETECTOR PERFORMANCE; SENSING TECHNIQUE; SPECTROMETERS
AB TlBr radiation detector operation degrades with time at room temperature and is thought to be due to electromigration of Tl and Br vacancies within the crystal as well as the metal contacts migrating into the TlBr crystal itself due to electrochemical reactions at the metal/TlBr interface. X-ray photoemission spectroscopy (XPS) was used to investigate the metal contact surface/interfacial structure on TlBr devices. Device-grade TlBr was polished and subjected to a 32% HCl etch to remove surface damage prior to Mo or Pt contact deposition. High-resolution photoemission measurements on the Tl 4f, Br 3d, Cl 2p, Mo 3d and Pt 4f core lines were used to evaluate surface chemistry and non-equilibrium interfacial diffusion. Results indicate that anion substitution at the TlBr surface due to the HCl etch forms TlBr1-xClx with consequent formation of a shallow heterojunction. In addition, a reduction of Tl1+ to Tl-0 is observed at the metal contacts after device operation in both air and N-2 at ambient temperature. Understanding contact/device degradation versus operating environment is useful for improving radiation detector performance.
C1 [Nelson, A. J.; Swanberg, E. L.; Voss, L. F.; Graff, R. T.; Conway, A. M.; Nikolic, R. J.; Payne, S. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Kim, H.; Cirignano, L.; Shah, K.] Radiat Monitoring Devices Inc, Watertown, MA USA.
RP Nelson, AJ (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-
AC52- 07NA27344]; US Department of Homeland Security; Domestic Nuclear
Detection Office [IAA HSHQDC- 12- X- 00342]
FX The work was performed under the auspices of the U.S. Department of
Energy by Lawrence Livermore National Laboratory under Contract DE-
AC52- 07NA27344. This work has been supported by the US Department of
Homeland Security, Domestic Nuclear Detection Office, under
competitively awarded IAA HSHQDC- 12- X- 00342. This support does not
constitute an express or implied endorsement on the part of the
Government.
NR 12
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U1 0
U2 5
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-240-6
J9 PROC SPIE
PY 2014
VL 9213
AR UNSP 921313
DI 10.1117/12.2062037
PG 7
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5XK
UT WOS:000344183600022
ER
PT S
AU Okwechime, IO
Egarievwe, SU
Hossain, A
Hales, ZM
Egarievwe, AA
James, RB
AF Okwechime, Ifechukwude O.
Egarievwe, Stephen U.
Hossain, Anwar
Hales, Zaveon M.
Egarievwe, Alexander A.
James, Ralph B.
BE Burger, A
Franks, L
James, RB
Fiederle, M
TI Chemical treatment of CdZnTe radiation detectors using hydrogen bromide
and ammonium-based solutions
SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XVI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT SPIE Conference on Hard X-Ray, Gamma-Ray and Neutron Detector Physics
XVI
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE Cadmium Zinc Telluride; radiation detectors; surface passivation; X-ray
photoelectron spectroscopy; current-voltage characterization; spectral
response
AB Surface damages occur in Cadmium zinc telluride (CdZnTe) wafers for radiation detection devices during dicing and polishing. This often results in increased leakage current that limits the performance of the detector. An effective method of removing the surface damage and thus reducing the leakage current is through the use of chemical treatments. The effects discussed in this study include: chemical polishing with a mixture of hydrogen bromide solution followed by passivation with ammonium fluoride in a hydrogen peroxide solution. The effects on the current-voltage measurements and the spectral response were monitored over a 2-week period. X-ray photoelectron spectroscopy (XPS) was also obtained to observe the formation of chemical species on treated surfaces. The resistivity of the treated CdZnTe samples is on the order of 10(10) ohm-cm. The current in the I-V measurements increased rapidly immediately following the chemical polishing and surface passivation, and decreased steadily afterwards. The spectral response showed that the 59.5-keV peak of Am-241 was stable in the same position over the test period.
C1 [Okwechime, Ifechukwude O.; Egarievwe, Stephen U.; Hales, Zaveon M.; Egarievwe, Alexander A.] Alabama A&M Univ, Nucl Engn & Radiol Sci Ctr, Normal, AL 35762 USA.
[Hossain, Anwar; James, Ralph B.] Brookhaven Natl Lab, Nonproliferat & Natl Secur Dept, Upton, NY 11973 USA.
RP Okwechime, IO (reprint author), Alabama A&M Univ, Nucl Engn & Radiol Sci Ctr, Normal, AL 35762 USA.
EM stephen.egarievwe@aamu.edu
FU U. S. Department of Homeland Security, Domestic Nuclear Detection
Office; IAA [2012- DN- 077- ARI065- 03]; U. S. Nuclear Regulatory
Commission [NRC- 27- 10- 514]; U. S. Department of Energy Office of
Defense Nuclear Nonproliferation
FX This work has been supported by the U. S. Department of Homeland
Security, Domestic Nuclear Detection Office, under competitively awarded
contract/ IAA award number 2012- DN- 077- ARI065- 03. Alabama A& M
University researchers were also supported by the U. S. Nuclear
Regulatory Commission through award number NRC- 27- 10- 514, and BNL
scientists received support from the U. S. Department of Energy Office
of Defense Nuclear Nonproliferation R& D. These supports do not
constitute an expressed or implied endorsement by the U. S. Government.
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PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-240-6
J9 PROC SPIE
PY 2014
VL 9213
AR UNSP 92130Y
DI 10.1117/12.2063067
PG 5
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5XK
UT WOS:000344183600020
ER
PT S
AU Prange, M
Wu, DX
Xie, YL
Campbell, LW
Gao, F
Kerisit, S
AF Prange, Micah
Wu, Dangxin
Xie, Yulong
Campbell, Luke W.
Gao, Fei
Kerisit, Sebastien
BE Burger, A
Franks, L
James, RB
Fiederle, M
TI Radiation response of inorganic scintillators: Insights from Monte Carlo
simulations
SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XVI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT SPIE Conference on Hard X-Ray, Gamma-Ray and Neutron Detector Physics
XVI
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE thermalization; hot electrons and holes; gamma-ray spectroscopy;
nonproportionality; scintillators; Monte Carlo simulations
ID ELECTRON-HOLE PAIRS; NON-PROPORTIONALITY; CSI; NONPROPORTIONALITY;
NONLINEARITY; SCATTERING; TRANSPORT; FACILITY; CSI(TL); YIELD
AB The spatial and temporal scales of hot particle thermalization in inorganic scintillators are critical factors determining the extent of second- and third-order nonlinear quenching in regions with high densities of electron-hole pairs, which, in turn, leads to the light yield nonproportionality observed, to some degree, for all inorganic scintillators. Therefore, kinetic Monte Carlo simulations were performed to calculate the distances traveled by hot electrons and holes as well as the time required for the particles to reach thermal energy following gamma-ray irradiation. CsI, a common scintillator from the alkali halide class of materials, was used as a model system. Two models of quasi-particle dispersion were evaluated, namely, the effective mass approximation model and a model that relied on the group velocities of electrons and holes determined from band structure calculations. Both models predicted rapid electron-hole pair recombination over short distances (a few nanometers) as well as a significant extent of charge separation between electrons and holes that did not recombine and reached thermal energy. However, the effective mass approximation model predicted much longer electron thermalization distances and times than the group velocity model. Comparison with limited experimental data suggested that the group velocity model provided more accurate predictions. Nonetheless, both models indicated that hole thermalization is faster than electron thermalization and thus is likely to be an important factor determining the extent of third-order nonlinear quenching in high-density regions. The merits of different models of quasi-particle dispersion are also discussed.
C1 [Prange, Micah; Wu, Dangxin; Xie, Yulong; Campbell, Luke W.; Gao, Fei; Kerisit, Sebastien] Pacific Northwest Natl Lab, Richland, WA 99352 USA.
RP Prange, M (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA.
EM sebastien.kerisit@pnnl.gov
RI Xie, Yulong/O-9322-2016
OI Xie, Yulong/0000-0001-5579-482X
FU National Nuclear Security Administration; Office of Nuclear
Nonproliferation Research and Engineering [NA- 22]; U. S. Department of
Energy
FX This work was supported by the National Nuclear Security Administration,
Office of Nuclear Nonproliferation Research and Engineering (NA- 22), of
the U. S. Department of Energy.
NR 45
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PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-240-6
J9 PROC SPIE
PY 2014
VL 9213
AR UNSP 92130L
DI 10.1117/12.2063818
PG 17
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5XK
UT WOS:000344183600014
ER
PT S
AU Roy, UN
Bolotnikov, AE
Camarda, GS
Cui, Y
Hossain, A
Yang, G
Tappero, R
James, RB
AF Roy, U. N.
Bolotnikov, A. E.
Camarda, G. S.
Cui, Y.
Hossain, A.
Yang, G.
Tappero, R.
James, R. B.
BE Burger, A
Franks, L
James, RB
Fiederle, M
TI CdTexSe1-x: A potential candidate for room-temperature radiation
detector applications
SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XVI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT SPIE Conference on Hard X-Ray, Gamma-Ray and Neutron Detector Physics
XVI
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
ID GROWTH; CRYSTALS; CDTE
AB CdTexSe1-x, with its several advantages over the conventional CdZnTe (CZT) material, offers potential as a room-temperature radiation detector. Its main advantage is the near-unity segregation coefficient of Se in the CdTe matrix that results in higher compositional homogeneity of the grown ingot. In this paper, we discussed the growth of CdTeSe crystals by various techniques, such as the Traveling Heater method and the Vertical Bridgman technique. We analyzed the different defects in the grown ingots, including Te inclusions/precipitations, sub-grain boundaries and dislocation networks, and studied their effects on the materials' charge-transport characteristics. Our experimental findings demonstrated several advantages of CdTeSe over CZT, in addition to the near-unity segregation coefficient of Se, including lower concentrations of Te-inclusions/precipitations and sub-grain boundaries and a higher degree of uniformity. Our findings on its charge-transport characteristics also are very encouraging.
C1 [Roy, U. N.; Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; Hossain, A.; Yang, G.; Tappero, R.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Roy, UN (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
FU U. S. Department of Energy; Office of Defense Nuclear Nonproliferation
Research and Development, DNN R D; U. S. Department of Energy [DE-
AC0298CH10886]
FX The authors would like to thank Richard Greene for fabricating the
ampoule- lowering mechanism. This work was supported by the U. S.
Department of Energy, Office of Defense Nuclear Nonproliferation
Research and Development, DNN R& D. The manuscript was authored by
Brookhaven Science Associates, LLC under Contract No. DE- AC0298CH10886
with the U. S. Department of Energy.
NR 8
TC 0
Z9 0
U1 0
U2 2
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-240-6
J9 PROC SPIE
PY 2014
VL 9213
AR UNSP 92130F
DI 10.1117/12.2063174
PG 5
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5XK
UT WOS:000344183600009
ER
PT S
AU Sklyarchuk, V
Fochuk, P
Rarenko, I
Zakharuk, Z
Sklyarchuk, O
Nykoniuk, Y
Rybka, A
Kutny, V
Bolotnikov, AE
James, RB
AF Sklyarchuk, V.
Fochuk, P.
Rarenko, I.
Zakharuk, Z.
Sklyarchuk, O.
Nykoniuk, Ye.
Rybka, A.
Kutny, V.
Bolotnikov, A. E.
James, R. B.
BE Burger, A
Franks, L
James, RB
Fiederle, M
TI Mechanisms of the passage of dark currents through Cd(Zn)Te
semi-insulating crystals
SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XVI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT SPIE Conference on Hard X-Ray, Gamma-Ray and Neutron Detector Physics
XVI
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE semi-insulating Cd(Zn)Te; gamma-ray detectors; ohmic contact;
space-charge-limited currents; degree of compensation
ID GAMMA-RAY DETECTORS; CYCLOTRON-RESONANCE; OPTICAL-DETECTION; CDTE
AB We investigated the passage of dark currents through semi-insulating crystals of Cd(Zn)Te with weak n-type conductivity that are used widely as detectors of ionizing radiation. The crystals were grown from a tellurium solution melt at 800 degrees C by the zone-melting method, in which a polycrystalline rod in a quartz ampoule was moved through a zone heater at a rate of 2 mm per day. The synthesis of the rod was carried out at similar to 1150 degrees C. We determined the important electro-physical parameters of this semiconductor, using techniques based on a parallel study of the temperature dependence of current-voltage characteristics in both the ohmic and the space-charge-limited current regions. We established in these crystals the relationship between the energy levels and the concentrations of deep-level impurity states, responsible for dark conductivity and their usefulness as detectors.
C1 [Sklyarchuk, V.; Fochuk, P.; Rarenko, I.; Zakharuk, Z.; Sklyarchuk, O.] Chernivtsi Natl Univ, UA-58012 Chernovtsy, Ukraine.
[Nykoniuk, Ye.] Natl Univ Water Management & Nat Resources Applic, UA-33028 Rivne, Ukraine.
[Rybka, A.; Kutny, V.] Natl Sci Ctr Kharkov Inst Phys Technol, UA-61108 Kharkov, Ukraine.
[Bolotnikov, A. E.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Sklyarchuk, V (reprint author), Chernivtsi Natl Univ, UA-58012 Chernovtsy, Ukraine.
EM fochukp@gmail.com
RI Fochuk, Petro/D-9409-2016
OI Fochuk, Petro/0000-0002-4149-4882
FU Science@ Technology Center of Ukraine with U. S. Department of Energy,
and by DOE/ NNSA DNN R D [P406]
FX This work is partly supported by the Science@ Technology Center of
Ukraine under the project P406 with U. S. Department of Energy, and by
DOE/ NNSA DNN R& D.
NR 18
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U2 2
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-240-6
J9 PROC SPIE
PY 2014
VL 9213
AR UNSP 92131G
DI 10.1117/12.2062754
PG 10
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5XK
UT WOS:000344183600032
ER
PT S
AU van Loef, EV
Feng, P
Markosyan, G
Shirwadkar, U
Doty, P
Shah, KS
AF van Loef, Edgar V.
Feng, Patrick
Markosyan, Gary
Shirwadkar, Urmila
Doty, Patrick
Shah, Kanai S.
BE Burger, A
Franks, L
James, RB
Fiederle, M
TI Triplet Harvesting Plastic Scintillators with Neutron-Gamma Pulse Shape
Discrimination
SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XVI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT SPIE Conference on Hard X-Ray, Gamma-Ray and Neutron Detector Physics
XVI
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE Fast neutron detection; iridium complex; plastic scintillator; pulse
shape discrimination; scintillation properties; triplet harvesting
ID CRYSTALS
AB In this paper we report on plastic scintillators that contain organometallic iridium compounds as triplet harvesting complexes for neutron-gamma pulse shape discrimination (PSD). Our results show that these plastic scintillators have a relatively high light output (higher than BGO) and exhibit very good neutron-gamma PSD with a Figure-of-Merit of >= 2.0 at 2.5 MeVee cut-off energy. Under X-ray excitation, the radioluminescence spectrum exhibits a broad band between 400 and 650 nm peaking at 470 nm which is well-matched to bialkali photomultiplier tubes and UV-enhanced photodiodes. The scintillation decay due to Ir3+ luminescence is of the order of 1 us.
C1 [van Loef, Edgar V.; Markosyan, Gary; Shirwadkar, Urmila; Shah, Kanai S.] Radiat Monitoring Devices Inc, Watertown, MA 02472 USA.
[Feng, Patrick; Doty, Patrick] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
RP van Loef, EV (reprint author), Radiat Monitoring Devices Inc, Watertown, MA 02472 USA.
FU Department of Energy [DE- SC0009517]
FX We would like to acknowledge the Department of Energy for their
financial support under contract # DE- SC0009517.
NR 9
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U1 0
U2 7
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-240-6
J9 PROC SPIE
PY 2014
VL 9213
AR UNSP 921306
DI 10.1117/12.2061064
PG 9
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5XK
UT WOS:000344183600004
ER
PT S
AU Washington, AL
Wright, JS
Duff, MC
Burger, A
Groza, M
Matei, L
Buliga, V
AF Washington, Aaron L.
Wright, Jonathan S.
Duff, Martine C.
Burger, Arnold
Groza, Michael
Matei, Liviu
Buliga, Vladimir
BE Burger, A
Franks, L
James, RB
Fiederle, M
TI Change in the Bulk Resistivity of CdZnTe with Selected Near IR Light
SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XVI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT SPIE Conference on Hard X-Ray, Gamma-Ray and Neutron Detector Physics
XVI
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE CdZnTe; bulk resistivity; IR; defect distribution; secondary phases;
current-voltage (IV); trap states
ID DETECTORS; CDTE; CRYSTALS
AB The change in bulk resistivity of CdZnTe (CZT) crystals was measured during infrared (IR) light between 950 and 1000 nm. The crystals are grown using one of the state-of-the-art methods either the traveling heating method or the modified Bridgman method. The change resistivity was evaluated using the steady-state current with and without light. Additionally, the change in current with both IR sources were correlated to the influence of secondary phases (SP) in each crystal using IR transmission microscopy to determine whether the number and size of the impurities has a drastic effect based on the current-voltage (IV) characteristics. SP at various depths within CZT are connected to the existence of variable depth, IR-excitable traps that lie within the bandgap. The release of these traps will significantly affect the overall current in the system. However, the current increase may not match the overall energy of the light utilized are more dependent on the size and quantity for each energy range.
C1 [Washington, Aaron L.; Wright, Jonathan S.; Duff, Martine C.] Savannah River Natl Lab, Aiken, SC 29808 USA.
[Burger, Arnold; Groza, Michael; Matei, Liviu; Buliga, Vladimir] Fisk Univ, Nashville, TN 37208 USA.
RP Washington, AL (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA.
EM aaron.washington@srnl.doe.gov
FU U. S. Dept. of Energy [DE- AC0908SR22470]; U. S. DOE - National Nuclear
Security Administration through the Office of Nonproliferation and
Verification Research and Development - NA- 22 [DE- FG52- 05NA27035];
National Science Foundation through Fisk University Center for Physics
and Chemistry of Materials ( CPCoM) [HRD- 0420516]
FX This document was prepared in conjunction with work accomplished under
Contract No. DE- AC0908SR22470 with the U. S. Dept. of Energy. This work
was supported by U. S. DOE - National Nuclear Security Administration
through the Office of Nonproliferation and Verification Research and
Development - NA- 22 ( Grant No. DE- FG52- 05NA27035) and the National
Science Foundation through Fisk University Center for Physics and
Chemistry of Materials ( CPCoM), Cooperative Agreement CA: HRD- 0420516
( CREST program). Thanks to Redlen Technologies for supplying the
crystal used in this study.
NR 16
TC 0
Z9 0
U1 0
U2 3
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-240-6
J9 PROC SPIE
PY 2014
VL 9213
AR UNSP 92131K
DI 10.1117/12.2063042
PG 7
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5XK
UT WOS:000344183600035
ER
PT S
AU Zajczyk, A
Draper, M
Dowkontt, P
Guo, QZ
Kislat, F
Krawczynski, H
De Geronimo, G
Li, SR
Beilicke, M
AF Zajczyk, Anna
Draper, Marie
Dowkontt, Paul
Guo, Qingzhen
Kislat, Fabian
Krawczynski, Henric
De Geronimo, Gianluigi
Li, Shaorui
Beilicke, Matthias
BE Burger, A
Franks, L
James, RB
Fiederle, M
TI Optimization of <= 200 mu m pitch CZT detectors for future
high-resolution X-ray instrumentation in astrophysics
SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XVI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT SPIE Conference on Hard X-Ray, Gamma-Ray and Neutron Detector Physics
XVI
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE CdZnTe (CZT); CdTe; semiconductor detector; pixelization; performance;
X-ray astronomy
ID CDZNTE DETECTORS; CDTE
AB Cadmium Zinc Telluride and Cadmium Telluride are the detector materials of choice for the detection of X-rays in the X-ray energy band E >= 5 keV with excellent spatial and spectral resolution and without cryogenic cooling. Owing to recent breakthroughs in grazing incidence mirror technology, next-generation hard X-ray telescopes will achieve angular resolution between 5 and 10 arc seconds - about an order of magnitude better than that of the NuSTAR hard X-ray telescope. As a consequence, the next generation of X-ray telescopes will require pixelated X-ray detectors with pixels on a grid with a lattice constant of <= 250 mu m. Additional detector requirements include a low energy threshold of less than 5 keV and an energy resolution of less than one keV. The science drivers for a high angular-resolution X-ray mission include studies and measurements of black hole spins, the cosmic evolution of super-massive black holes, active galactic nuclei feedback, and the behaviour of matter at very high densities. In this contribution, we report on our R&D studies with the goal to optimise small-pixel Cadmium Zinc Telluride and Cadmium Telluride detectors.
C1 [Zajczyk, Anna; Draper, Marie; Dowkontt, Paul; Guo, Qingzhen; Kislat, Fabian; Krawczynski, Henric; Beilicke, Matthias] Washington Univ, Dept Phys, 1 Brookings Dr, St Louis, MO 63105 USA.
[De Geronimo, Gianluigi; Li, Shaorui] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Zajczyk, A (reprint author), Washington Univ, Dept Phys, 1 Brookings Dr, St Louis, MO 63105 USA.
EM azajczyk@physics.wustl.edu
FU NASA [NNX13AC49G]
FX We are grateful for NASA funding from grant NNX13AC49G.
NR 12
TC 0
Z9 0
U1 0
U2 2
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-240-6
J9 PROC SPIE
PY 2014
VL 9213
AR UNSP 921308
DI 10.1117/12.2062372
PG 10
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5XK
UT WOS:000344183600005
ER
PT S
AU Zakharchenko, AA
Davydov, LN
Skrypnyk, AI
Rybka, AV
Kutny, VE
Khazhmuradov, MA
Fochuk, PM
Sklyarchuk, VM
Bolotnikov, AE
James, RB
AF Zakharchenko, Alexandr A.
Davydov, Leonid N.
Skrypnyk, Anna I.
Rybka, Alexandr V.
Kutny, Vladimir E.
Khazhmuradov, Manap A.
Fochuk, Petro M.
Sklyarchuk, Valery M.
Bolotnikov, Aleksey E.
James, Ralph B.
BE Burger, A
Franks, L
James, RB
Fiederle, M
TI Spectroscopic response of Cd(Zn)Te radiation detectors with a Schottky
diode
SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS XVI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT SPIE Conference on Hard X-Ray, Gamma-Ray and Neutron Detector Physics
XVI
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE Cd(Zn)Te; gamma-ray detector; response function; Monte-Carlo simulation;
Geant4; Schottky diode
AB We investigated the spectroscopic properties of several Cd(Zn)Te detectors with a Schottky contact and simulated them via a computer code. The responses were determined of 0.5-mm-thick surface-barrier Ni/Cd(Zn)Te/Ni detectors to gamma-rays from reference sources of Am-241, Ba-133, Eu-152, Cs-137 and Co-60. The best measured energy-resolution at 661.67 keV (Cs-137) of these detectors under 800 V of displacement voltage was better than 1.5%. The detectors' response functions, simulated with Geant4 toolkit, agreed satisfactorily with our experimental data.
C1 [Zakharchenko, Alexandr A.; Davydov, Leonid N.; Skrypnyk, Anna I.; Rybka, Alexandr V.; Kutny, Vladimir E.; Khazhmuradov, Manap A.] Kharkov Phys & Technol Inst, Natl Sci Ctr, 1 Akad Skaya St, UA-61108 Kharkov, Ukraine.
[Fochuk, Petro M.; Sklyarchuk, Valery M.] Chernivtsi Natl Univ, UA-58012 Chernovtsy, Ukraine.
[Bolotnikov, Aleksey E.; James, Ralph B.] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Zakharchenko, AA (reprint author), Kharkov Phys & Technol Inst, Natl Sci Ctr, 1 Akad Skaya St, UA-61108 Kharkov, Ukraine.
EM az@kipt.kharkov.ua
RI Fochuk, Petro/D-9409-2016
OI Fochuk, Petro/0000-0002-4149-4882
FU Department of Energy's NNSA Global Initiative of Proliferation
Prevention; DOE/ NNSA's Office of DNN R D; Science and Technology Center
of Ukraine ( STCU) [P- 406]
FX Authors gratefully acknowledge support for this work by the Department
of Energy's NNSA Global Initiative of Proliferation Prevention and from
the DOE/ NNSA's Office of DNN R& D. We appreciate financial support from
Science and Technology Center of Ukraine ( STCU) under Project # P- 406.
NR 10
TC 2
Z9 2
U1 0
U2 1
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-240-6
J9 PROC SPIE
PY 2014
VL 9213
AR UNSP 92131C
DI 10.1117/12.2060403
PG 6
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5XK
UT WOS:000344183600030
ER
PT S
AU Epstein, RI
Hehlen, MP
Sheik-Bahae, M
Melgaard, SD
AF Epstein, Richard I.
Hehlen, Markus P.
Sheik-Bahae, Mansoor
Melgaard, Seth D.
BE Andresen, BF
Fulop, GF
Hanson, CM
Norton, PR
TI Optical cryocoolers for sensors and electronics
SO INFRARED TECHNOLOGY AND APPLICATIONS XL
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT 40th Conference on Infrared Technology and Applications
CY MAY 04-08, 2014
CL Baltimore, MD
SP SPIE
DE Solid-state laser refrigeration; Optical cryocooler; Rare-earth doped
crystals and glasses; Ytterbium; Heat lift
ID REFRIGERATION
AB Solid-state optical refrigeration is an emerging cooling technology that can provide vibration free and reliable refrigeration to cryogenic temperatures in a lightweight and compact device. The technology has matured over the past two decades and is currently being considered for applications where the mechanical vibrations, limited reliability, or insufficient portability of existing cooling technologies pose challenges. Possible applications include satellite-borne infrared imaging, laser metrology, and gamma-ray spectroscopy as well as high-reliability cooling of semiconductors and high-temperature superconductors. The best results achieved so far have been in cooling rare-earth-doped solids, especially materials doped with ytterbium. We discuss the fundamental physical principles of solid-state laser cooling, the resulting material and device design requirements, and the estimated payload heat lift of an optical cryocooler.
C1 [Epstein, Richard I.] ThermoDynam Films LLC, 1313 Madrid Rd, Santa Fe, NM 87505 USA.
[Hehlen, Markus P.] Los Alamos Natl Lab, Mat Sci & Technol Div MST 7, Los Alamos, NM 87545 USA.
[Sheik-Bahae, Mansoor] Univ New Mexico, Dept Phys & Astron, Albuquerque, NM 87131 USA.
[Melgaard, Seth D.] Air Force Res Lab, Kirtland AFB, Albuquerque, NM USA.
RP Epstein, RI (reprint author), ThermoDynam Films LLC, 1313 Madrid Rd, Santa Fe, NM 87505 USA.
EM richard.epstein@gmail.com
FU AFRL under SBIR [FA9453- 14- M- 0055]; AFOSR under STTR [FA9550- 13- C-
0006]; National Nuclear Security Administration of the Department of
Energy ( DOE) at Los Alamos National Laboratory and supported by LANL/
LDRD program [20140275ER]; National Research Council Research
Associateship Award at Air Force Research Laboratory
FX ThermoDynamic Films and the University of New Mexico received support
for this work from the AFRL under SBIR contract FA9453- 14- M- 0055 and
from the AFOSR under STTR contract FA9550- 13- C- 0006. The work of M.
P. H. was carried out under the auspices of the National Nuclear
Security Administration of the Department of Energy ( DOE) at Los Alamos
National Laboratory and supported by LANL/ LDRD program 20140275ER.
Parts of this research were performed while S. D. M. held a National
Research Council Research Associateship Award at Air Force Research
Laboratory.
NR 12
TC 1
Z9 1
U1 0
U2 4
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-007-5
J9 PROC SPIE
PY 2014
VL 9070
AR UNSP 90702K
DI 10.1117/12.2052941
PG 10
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BB5UG
UT WOS:000344113500087
ER
PT S
AU Savich, GR
Sidor, DE
Du, X
Jain, M
Morath, CP
Cowan, VM
Kim, JK
Klem, JF
Leonhardt, D
Hawkins, SD
Fortune, TR
Tauke-Pedretti, A
Wicks, GW
AF Savich, G. R.
Sidor, D. E.
Du, X.
Jain, M.
Morath, C. P.
Cowan, V. M.
Kim, J. K.
Klem, J. F.
Leonhardt, D.
Hawkins, S. D.
Fortune, T. R.
Tauke-Pedretti, A.
Wicks, G. W.
BE Andresen, BF
Fulop, GF
Hanson, CM
Norton, PR
TI Defect related dark currents in III-V MWIR nBn detectors
SO INFRARED TECHNOLOGY AND APPLICATIONS XL
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT 40th Conference on Infrared Technology and Applications
CY MAY 04-08, 2014
CL Baltimore, MD
SP SPIE
DE infrared detectors; MWIR; nBn; photodiode; defects; irradiation; lattice
mismatch; dark current
AB The effect of defects on the dark current characteristics of MWIR, III-V nBn detectors has been studied. Two different types of defects are compared, those produced by lattice mismatch and by proton irradiation. It is shown that the introduction of defects always elevates dark currents; however the effect on dark current is different for nBn detectors and conventional photodiodes. The dark currents of nBn detectors are found to be more tolerant of defects compared to pn-junction based devices. Defects more weakly increase dark currents, and cooling reduces the defect-produced dark currents more rapidly in nBn detectors than in conventional photodiodes.
C1 [Savich, G. R.; Sidor, D. E.; Du, X.; Jain, M.; Wicks, G. W.] Univ Rochester, Inst Opt, 275 Hutchison Rd, Rochester, NY 14627 USA.
[Morath, C. P.; Cowan, V. M.] Air Force Res Lab, Space Vehicles Directorate, Kirtland AFB, NM 87117 USA.
[Kim, J. K.; Klem, J. F.; Leonhardt, D.; Hawkins, S. D.; Fortune, T. R.; Tauke-Pedretti, A.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Savich, GR (reprint author), Univ Rochester, Inst Opt, 275 Hutchison Rd, Rochester, NY 14627 USA.
EM wicks@optics.rochester.edu
NR 8
TC 0
Z9 0
U1 0
U2 4
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-007-5
J9 PROC SPIE
PY 2014
VL 9070
AR UNSP 907011
DI 10.1117/12.2050535
PG 6
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BB5UG
UT WOS:000344113500035
ER
PT S
AU Takacs, PZ
AF Takacs, Peter Z.
BE Postek, MT
Orji, NG
TI Standardization of methods for extracting statistics from surface
profile measurements
SO INSTRUMENTATION, METROLOGY, AND STANDARDS FOR NANOMANUFACTURING, OPTICS,
AND SEMICONDUCTORS VIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Instrumentation, Metrology, and Standards for
Nanomanufacturing, Optics, and Semiconductors VIII
CY AUG 20, 2014
CL San Diego, CA
SP SPIE
DE Profilometry; surface texture; PSD; standards; detrending; statistics
AB Surface profilers and optical interferometers produce 2D maps of surface and wavefront topography. Traditional standards and methods for characterizing the properties of these surfaces use coordinate space representations of the surface topography. The computing power available today in modest personal computers makes it easy to transform into frequency space and apply well-known signal processing techniques to analyze the data. The Power Spectral Density (PSD) function of the surface height distribution is a powerful tool to assess the quality and characteristics of the surface in question. In order to extract useful information about the spectral distribution of surface roughness or mid-spatial frequency error over a particular spatial frequency band, it is necessary to pre-process the data by first detrending the surface figure terms and then applying a window function before computing the PSD. This process eliminates discontinuities at the borders of the profile that would otherwise produce large amounts of spurious power that would mask the true nature of the surface texture. This procedure is now part of a new draft standard that is being adopted by the US OEOSC for analysis of the statistics of optical surface, OP1.005.1 Illustrations of the usefulness of these procedures will be presented.
C1 Brookhaven Natl Lab, Dept Energy, Off Basic Energy Sci, Instrumentat Div 535B, Upton, NY 11973 USA.
RP Takacs, PZ (reprint author), Brookhaven Natl Lab, Dept Energy, Off Basic Energy Sci, Instrumentat Div 535B, Upton, NY 11973 USA.
NR 10
TC 1
Z9 1
U1 1
U2 5
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-200-0
J9 PROC SPIE
PY 2014
VL 9173
AR 917309
DI 10.1117/12.2063113
PG 10
WC Instruments & Instrumentation; Optics; Physics, Applied
SC Instruments & Instrumentation; Optics; Physics
GA BB5XW
UT WOS:000344189100007
ER
PT J
AU Wei, J
Lin, G
Jiang, LJ
Efendiev, Y
AF Wei, Jia
Lin, Guang
Jiang, Lijian
Efendiev, Yalchin
TI ANALYSIS OF VARIANCE-BASED MIXED MULTISCALE FINITE ELEMENT METHOD AND
APPLICATIONS IN STOCHASTIC TWO-PHASE FLOWS
SO INTERNATIONAL JOURNAL FOR UNCERTAINTY QUANTIFICATION
LA English
DT Article
DE analysis of variance; uncertainty quantification; polynomial chaos;
mixed multiscale finite element method; two-phase flow; stochastic
partial differential equation; adaptivity
ID PARTIAL-DIFFERENTIAL-EQUATIONS; RANDOM INPUT DATA; COLLOCATION METHOD;
ELLIPTIC PROBLEMS; SPARSE GRIDS; PROBABILISTIC COLLOCATION;
POROUS-MEDIA; SIMULATION; EFFICIENT
AB The stochastic partial differential systems have been widely used to model physical processes, where the inputs involve large uncertainties. Flows in random and heterogeneous porous media is one of the cases where the random inputs (e.g., permeability) are often modeled as a stochastic field with high-dimensional random parameters. To treat the high dimensionality and heterogeneity efficiently, model reduction is employed in both stochastic space and physical space. An analysis of variance (ANOVA)-based mixed multiscale finite element method (MsFEM) is developed to decompose the high-dimensional stochastic problem into a set of lower-dimensional stochastic subproblems, which require much less computational complexity and significantly reduce the computational cost in stochastic space, and the mixed MsFEM can capture the heterogeneities on a coarse grid to greatly reduce the computational cost in the spatial domain. In addition, to enhance the efficiency of the traditional ANOVA method, an adaptive ANOVA method based on a new adaptive criterion is developed, where the most active dimensions can be selected to greatly reduce the computational cost before conducting ANOVA decomposition. This novel adaptive criterion is based on variance-decomposition method coupled with sparse-grid probabilistic collocation method or multilevel Monte Carlo method. The advantage of this adaptive criterion lies in its much lower computational overhead for identifying the active dimensions and interactions. A number of numerical examples in two-phase stochastic flows are presented and demonstrate the accuracy and performance of the adaptive ANOVA-based mixed MsFEM.
C1 [Wei, Jia; Efendiev, Yalchin] Texas A&M Univ, Dept Math, College Stn, TX 77840 USA.
[Wei, Jia; Lin, Guang] Pacific NW Natl Lab, Computat Sci & Math Div, Richland, WA 99352 USA.
[Lin, Guang] Purdue Univ, Sch Mech Engn, Dept Math, W Lafayette, IN 47907 USA.
[Jiang, Lijian] Hunan Univ, Coll Math & Econometr, Changsha 410082, Hunan, Peoples R China.
RP Lin, G (reprint author), Pacific NW Natl Lab, Computat Sci & Math Div, Richland, WA 99352 USA.
EM guanglin@purdue.edu
FU DOE [DE-AC05-76RL01830]; Applied Mathematics Program within the DOE's
Office of Advanced Scientific Computing Research as part of the
Collaboratory on Mathematics for Mesoscopic Modeling of Materials;
Pacific Northwest National Laboratory's Carbon Sequestration Initiative
FX This work was accomplished and funded by both the Applied Mathematics
Program within the DOE's Office of Advanced Scientific Computing
Research as part of the Collaboratory on Mathematics for Mesoscopic
Modeling of Materials and the Pacific Northwest National Laboratory's
Carbon Sequestration Initiative, which is part of the Laboratory
Directed Research and Development Program. A portion of the computations
was performed using PNNL Institutional Computing cluster systems. PNNL
is operated by Battelle for the DOE under contract DE-AC05-76RL01830.
NR 37
TC 1
Z9 1
U1 0
U2 7
PU BEGELL HOUSE INC
PI DANBURY
PA 50 NORTH ST, DANBURY, CT 06810 USA
SN 2152-5080
EI 2152-5099
J9 INT J UNCERTAIN QUAN
JI Int. J. Uncertain. Quantif.
PY 2014
VL 4
IS 6
BP 455
EP 477
PG 23
WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary
Applications
SC Engineering; Mathematics
GA AS3SY
UT WOS:000344199600001
ER
PT J
AU Zhang, SS
Tran, DT
Zhang, ZC
AF Zhang, Sheng S.
Tran, Dat T.
Zhang, Zhengcheng
TI Poly(acrylic acid) gel as a polysulphide blocking layer for
high-performance lithium/sulphur battery
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID LITHIUM-SULFUR BATTERIES; ELECTROLYTE; CATHODE; BINDER; CELLS;
COMPOSITES; NANOTUBES
AB The lithium/sulphur (Li/S) battery is one of the most promising electrochemical energy storage systems after the Li ion battery, due to the high theoretical energy density and low cost of elemental sulphur. However, its development has been hindered by many problems in relation to the out-diffusion of dissolved lithium polysulphide (PS, Li2Sn with 4 <= n <= 8), the series of sulphur reduction intermediates. In this paper we demonstrate a proof of concept for blocking the out-diffusion of the dissolved PS by employing a dual-layer structural sulphur cathode with a porous poly(acrylic acid) (PAA) membrane coated on the top surface. Upon activation with the liquid electrolyte, the porous PAA membrane becomes a gel and the resulting gel chemically blocks the out-diffusion of PS anions by forming hydrogen bonds between the COOH groups in the gelled PAA and the negatively charged PS anions. Verified visually by a potentiostatic polarization experiment at 1.7 V vs. Li/Li+, the out-diffusion of PS in an electrolyte-flooded Li/S cell is effectively blocked by the dual-layer structural sulphur cathode. As a result, the Li/S cell consisting of a dual-layer structural sulphur cathode exhibits much improved capacity retention while still providing a similar specific capacity, as compared with the cell using the conventional sulphur cathode.
C1 [Zhang, Sheng S.; Tran, Dat T.] US Army Res Lab, Sensors & Electron Devices Directorate, RDRL SED C, Electrochem Branch, Adelphi, MD 20783 USA.
[Zhang, Zhengcheng] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Zhang, SS (reprint author), US Army Res Lab, Sensors & Electron Devices Directorate, RDRL SED C, Electrochem Branch, Adelphi, MD 20783 USA.
EM shengshui.zhang.civ@mail.mil; zzhang@anl.gov
RI Zhang, Sheng/A-4456-2012
OI Zhang, Sheng/0000-0003-4435-4110
NR 27
TC 13
Z9 13
U1 15
U2 77
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 2014
VL 2
IS 43
BP 18288
EP 18292
DI 10.1039/c4ta04417g
PG 5
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA AS6NL
UT WOS:000344380000020
ER
PT J
AU Charnvanichborikarn, S
Worsley, MA
Bagge-Hansen, M
Colvin, JD
Felter, TE
Kucheyev, SO
AF Charnvanichborikarn, S.
Worsley, M. A.
Bagge-Hansen, M.
Colvin, J. D.
Felter, T. E.
Kucheyev, S. O.
TI Ice templating synthesis of low-density porous Cu-C nanocomposites
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID DOPED CARBON AEROGELS; HYDROGEN STORAGE PROPERTIES; COMPOSITES; NICKEL;
COPPER; NANOPARTICLES; NANOTUBES; CATALYSTS; XEROGELS
AB Controlled synthesis of porous metal-carbon nanocomposites is challenging. Here, we describe the fabrication of porous Cu-C nanocomposites by water-ice templating in an aqueous CuSO4 solution with a suspension of graphene oxide and carbon nanotubes. Upon the crystallization of water, the salt and carbon constituents segregate at grain boundaries of water crystallites. Freeze drying (vacuum desiccation) is used to remove water, creating pores. Final Cu-C composites are obtained by thermally-induced reduction of graphene oxide and decomposition of CuSO4. Pore walls in resultant Cu-C foams consist of a random network of reduced graphene oxide sheets and carbon nanotubes decorated with nearly spherical Cu nanoparticles with average diameters tunable in the range of similar to 30-80 nm. With this approach, we demonstrate nanoporous Cu-C composites with an ultralow C matrix density of >= 5 mg cm(-3) and controllable Cu loading in the range of similar to 0-65 wt%. This versatile method could be extended to fabricate other nanoporous metal-carbon composites geared for specific applications. As an example, we demonstrate Ag-C nanocomposites by using AgNO3 instead of CuSO4.
C1 [Charnvanichborikarn, S.; Worsley, M. A.; Bagge-Hansen, M.; Colvin, J. D.; Kucheyev, S. O.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Felter, T. E.] Sandia Natl Labs, Livermore, CA 94550 USA.
RP Kucheyev, SO (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
EM kucheyev@llnl.gov
OI Worsley, Marcus/0000-0002-8012-7727
FU U.S. DOE by LLNL [DE-AC52-07NA27344]; DTRA Basic Research grant
[BRCALL08-PR3-C-2-0006]; U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences [DE-AC02-76SF00515]
FX This work was performed under the auspices of the U.S. DOE by LLNL under
Contract DE-AC52-07NA27344, with partial funding from DTRA Basic
Research grant # BRCALL08-PR3-C-2-0006. 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 30
TC 5
Z9 5
U1 9
U2 72
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 2014
VL 2
IS 43
BP 18600
EP 18605
DI 10.1039/c4ta02731k
PG 6
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA AS6NL
UT WOS:000344380000051
ER
PT J
AU Dharmagunawardhane, HAN
Woerner, WR
Wu, QY
Huang, HF
Chen, XY
Orlov, A
Khalifah, PG
Parise, JB
AF Dharmagunawardhane, H. A. Naveen
Woerner, William R.
Wu, Quiyan
Huang, Huafeng
Chen, Xianyin
Orlov, Alexander
Khalifah, Peter G.
Parise, John B.
TI Photocatalytic hydrogen evolution using nanocrystalline gallium
oxynitride spinel
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID VISIBLE-LIGHT IRRADIATION; HIGH-PRESSURE SYNTHESIS; SOLID-SOLUTION;
OXONITRIDE; NITRIDE; LATIO2N; FILMS; ZNO; GAN
AB Photocatalytic hydrogen evolution from water was observed over nanocrystalline gallium oxynitride spinel under simulated solar light irradiation (320 nm < lambda < 800 nm). Up to 8 mu mol h(-1) of H-2 was evolved without co-catalyst loading. The photocatalyst was synthesized by the ammonolysis of gallium nitrate hydrate (Ga(NO3)(3)center dot xH(2)O). Optical measurements indicate an indirect gap (E-g) in the visible region (E-g = 2.50 eV) which is ascribed to photoexcitations from the N 2p valence states. A direct gap has an onset at ultraviolet energies (E-g = 3.69 eV), which is ascribed to photoexcitations from lower energy O 2p valence states.
C1 [Dharmagunawardhane, H. A. Naveen; Wu, Quiyan; Orlov, Alexander] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA.
[Woerner, William R.; Parise, John B.] SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA.
[Huang, Huafeng; Chen, Xianyin; Khalifah, Peter G.; Parise, John B.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
[Khalifah, Peter G.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
[Parise, John B.] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Parise, JB (reprint author), SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA.
EM John.Parise@stonybrook.edu
FU National Science Foundation (United States) [DMR-1231586]; Department of
Energy [DE-AC02-98CH10886]; Chemical Sciences, Geosciences and
Biosciences Division, Office of Basic Energy Sciences, Office of
Science, U.S. Department of Energy [DE-FG02-11ER16266]
FX The National Science Foundation (United States) supported the synthesis,
characterization, catalytic testing and manuscript preparation (Grant
DMR-1231586). This work was in part carried out at Brookhaven National
Laboratory (including the collection of optical data at the Center for
Functional Nano-materials), which is supported by the Department of
Energy under grant DE-AC02-98CH10886. The optical characterization of
semiconductors (HH, PGK) was supported by the Chemical Sciences,
Geosciences and Biosciences Division, Office of Basic Energy Sciences,
Office of Science, U.S. Department of Energy (Grant DE-FG02-11ER16266).
NR 29
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U1 6
U2 45
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 2014
VL 2
IS 45
BP 19247
EP 19252
DI 10.1039/c4ta03676j
PG 6
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA AS6PB
UT WOS:000344384000017
ER
PT J
AU Jiang, N
Bogoev, L
Popova, M
Gul, S
Yano, J
Sun, YJ
AF Jiang, Nan
Bogoev, Lia
Popova, Marina
Gul, Sheraz
Yano, Junko
Sun, Yujie
TI Electrodeposited nickel-sulfide films as competent hydrogen evolution
catalysts in neutral water
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID ACTIVE EDGE SITES; MOLYBDENUM SULFIDE; ASTERISK-ASTERISK;
ELECTROCATALYST; NANOPARTICLES; GENERATION; EFFICIENT; MOS2; NI;
PHOSPHIDE
AB The development of low-cost, efficient, and robust electrocatalysts of the hydrogen evolution reaction (HER) is a crucial step toward the conversion and storage of sustainable and carbon-neutral energy resources, such as solar energy. Not only the HER catalysts need to be composed of inexpensive elements, they are also desirable to be prepared at low energy cost. In this work, we report that nickel-sulfide (Ni-S) films prepared by facile potentiodynamic deposition are active HER catalysts in aqueous media. Notably, the Ni-S films showed catalytic activity in water with a wide range of pH values (0 to 14), as well as in natural water. In pH 7 phosphate buffer, a current density of 60 mA cm(-2) could be achieved with a Tafel slope of 77 mV dec(-1) and a Faradaic efficiency of 100%. A long-term bulk electrolysis of the Ni-S film exhibited steady current over 100 h with no deactivation, demonstrating its superior stability in neutral water. Further, an initial activation process was observed, which is likely due to the increase in the effective surface area of the Ni-S film under electrocatalytic conditions. A suite of characterization techniques, including X-ray photoelectron spectroscopy and X-ray absorption spectroscopy, were conducted to probe the composition and structure of the Ni-S film, revealing that its major component is Ni3S2 which was preserved under electrocatalytic conditions.
C1 [Jiang, Nan; Bogoev, Lia; Popova, Marina; Sun, Yujie] Utah State Univ, Dept Chem & Biochem, Logan, UT 84322 USA.
[Gul, Sheraz; Yano, Junko] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
RP Sun, YJ (reprint author), Utah State Univ, Dept Chem & Biochem, Logan, UT 84322 USA.
EM yujie.sun@usu.edu
FU Governor's Energy Leadership Scholars grant program of the State of
Utah; Utah State University (USU); USU; Principle Energy Issues Program
of the State of Utah; Office of Science, Office of Basic Energy Sciences
(OBES), Division of Chemical Sciences, Geosciences, and Biosciences of
the Department of Energy (DOE) [DE-AC02-05CH11231]; DOE Office of
Biological and Environmental Research; NIH [P41GM103393]
FX N.J. acknowledges the Governor's Energy Leadership Scholars grant
program of the State of Utah. L.B. is supported by the URCO and SURCO
programs of Utah State University (USU). Y.S. acknowledges the financial
support from USU and the Principle Energy Issues Program of the State of
Utah. J.Y. is supported by the Director, Office of Science, Office of
Basic Energy Sciences (OBES), Division of Chemical Sciences,
Geosciences, and Biosciences of the Department of Energy (DOE) under
Contract DE-AC02-05CH11231. XAS data collection was carried out at the
Stanford Synchrotron Radiation Lightsource (SSRL) beamlines 7-3 and 4-3,
operated by Stanford University for the U.S. DOE Office of Science, and
supported by the DOE Office of Biological and Environmental Research,
and by the NIH (including P41GM103393). SEM and EDS were conducted by
FenAnn Shen at the Microscopy Core Facility of USU.
NR 54
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U2 113
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 2014
VL 2
IS 45
BP 19407
EP 19414
DI 10.1039/c4ta04339a
PG 8
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA AS6PB
UT WOS:000344384000036
ER
PT S
AU Basu, S
Hyde, MW
McCrae, JE
Spencer, MF
Fiorino, ST
AF Basu, Santasri
Hyde, Milo W.
McCrae, Jack E.
Spencer, Mark F.
Fiorino, Steven T.
BE VanEijk, AMJ
Davis, CC
Hammel, SM
TI Examining the validity of using a Gaussian Schell Model for modeling an
extended beacon on a rough perfectly reflecting surface
SO LASER COMMUNICATION AND PROPAGATION THROUGH THE ATMOSPHERE AND OCEANS
III
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT 3rd Annual Conference on Laser Communication and Propagation through the
Atmosphere and Oceans
CY AUG 17-19, 2014
CL San Diego, CA
SP SPIE
DE Extended beacons; Gaussian Schell Model; rough surface scattering;
Physical Optics; Turbulence
ID ATMOSPHERIC-TURBULENCE; BEAM
AB In military applications that use adaptive optics, an extended beacon instead of a point source beacon is created at the target due to atmospheric turbulence and other factors. These beacons, which have a finite spatial extent and exhibit varying degrees of coherence, are typically modeled in existing literature as a Gaussian Schell Model (GSM) due to its analytical tractability. Earlier, we used a full wave computational technique to evaluate the scattered field from a rough impedance surface in vacuum. The results showed some deviations from GSM behavior. The present work uses a simulation approach based on Physical Optics (PO) approximation to study the scattering behavior in presence of atmospheric turbulence. A fully coherent Gaussian beam is propagated through atmospheric phase screens to the rough surface target plane. The PO current is computed on the rough surface and the scattered field right above the surface is determined. The scattered light is propagated through a second set of atmospheric phase screens and thus the double passage through the atmosphere is realized. The rough surface is simulated using statistical parameters derived from profilometer measurements of standard targets. Through multiple realizations of the atmosphere and the rough surface, the statistics of the scattered field is determined. The simulations are done with different strengths of turbulence and different roughness scales of the target. The results are compared with a GSM. An effects model where the rough surface is modeled as a phase screen has also been implemented in order to verify the nature of the speckle returns.
C1 [Basu, Santasri; McCrae, Jack E.; Spencer, Mark F.; Fiorino, Steven T.] US Air Force, Inst Technol, Dept Engn Phys, 2950 Hobson Way, Wright Patterson AFB, OH 45433 USA.
[Basu, Santasri; McCrae, Jack E.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37380 USA.
[Hyde, Milo W.] Air Force Inst Technol, Dept Elect & Comp Engn, Wright Patterson AFB, OH 45433 USA.
RP Basu, S (reprint author), US Air Force, Inst Technol, Dept Engn Phys, 2950 Hobson Way, Wright Patterson AFB, OH 45433 USA.
EM santasri.basu.ctr.in@afit.edu
FU appointment to the Postdoctoral Research Participation Program at the
Air Force Institute of Technology
FX This research was supported in part by an appointment to the
Postdoctoral Research Participation Program at the Air Force Institute
of Technology administered by the Oak Ridge Institute for Science and
Education through an interagency agreement between the U. S. Department
of Energy and AFIT.
NR 18
TC 1
Z9 1
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-251-2
J9 PROC SPIE
PY 2014
VL 9224
AR UNSP 92240L
DI 10.1117/12.2062153
PG 11
WC Engineering, Electrical & Electronic; Optics; Physics, Applied;
Telecommunications
SC Engineering; Optics; Physics; Telecommunications
GA BB5XH
UT WOS:000344182200019
ER
PT S
AU Poole, ZL
Ohodnicki, P
Buric, M
Yan, AD
Riyadh, S
Lin, Y
Chen, KP
AF Poole, Zsolt L.
Ohodnicki, Paul
Buric, Michael
Yan, Aidong
Riyadh, Shaymaa
Lin, Yuankun
Chen, Kevin P.
BE Cabrini, S
Lerondel, G
Schwartzberg, AM
Mokari, T
TI Block copolymer assisted refractive index engineering of metal oxides
for applications in optical sensing
SO NANOPHOTONIC MATERIALS XI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Nanophotonic Materials XI
CY AUG 20-21, 2014
CL San Diego, CA
SP SPIE
DE nanostructured metal oxide; optical sensor; sub-wavelength;
nano-engineering; refractive index engineering; block copolymer
templating; high temperature fiber sensor; hydrogen sensor
ID GAS SENSORS; THIN-FILMS; NANOSTRUCTURES; CHEMIRESISTORS; FIELDS
AB We demonstrate that the refractive indices of important functional metal oxides (TiO2, SnO2, and ZnO) can be engineered "at will" for applications in photonics engineering. The tailoring of the refractive indices is accomplished by 3D nanostructuring in the sub-wavelength regime (50nm or less) using the method of block-copolymer templating combined with a low cost solution processing approach. Using this method, the index of refraction of the demonstrated metal oxides and their doped variants can be engineered to be as low as 1.25. We will present both numerical simulations and experimental data demonstrating the unrestricted integration of functional metal oxides with a D-shaped optical fiber for applications in chemical and biological sensing. Using the developed refractive index engineering scheme, we introduce a novel hydrogen sensor by integrating a palladium doped TiO2 nanomaterial with D-shaped optical fiber and provide sensor characterization up to 700 degrees C for applications in the energy sector.
C1 [Poole, Zsolt L.; Yan, Aidong; Chen, Kevin P.] Univ Pittsburgh, Dept Elect & Comp Engn, Pittsburgh, PA 15261 USA.
[Ohodnicki, Paul] Natl Energy Technol Lab, Morgantown, WV USA.
[Buric, Michael] Natl Energy Technol Lab, Morgantown, WV USA.
[Riyadh, Shaymaa] Univ Baghdad, Inst Laser Postgraduate Studies, Baghdad, Iraq.
[Lin, Yuankun] Univ North Texas, Dept Phys, Denton, TX 76203 USA.
RP Chen, KP (reprint author), Univ Pittsburgh, Dept Elect & Comp Engn, Pittsburgh, PA 15261 USA.
EM pchenc@gmail.com
FU National Science Foundation [CMMI- 1266251, CMMI- 1054652, CMMI-
1300273]; Department of Energy [DE- FE0003859]
FX This work was supported by the National Science Foundation ( CMMI-
1266251, CMMI- 1054652, and CMMI- 1300273) and the Department of Energy
( DE- FE0003859)).
NR 30
TC 2
Z9 2
U1 1
U2 8
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-188-1
J9 PROC SPIE
PY 2014
VL 9161
AR UNSP 91610P
DI 10.1117/12.2062092
PG 10
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Optics
SC Science & Technology - Other Topics; Materials Science; Optics
GA BB5UB
UT WOS:000344107800009
ER
PT S
AU Buric, M
Ohodnicki, PR
Chorpening, B
AF Buric, M.
Ohodnicki, P. R., Jr.
Chorpening, B.
BE Kazemi, AA
Kress, BC
Mendoza, EA
Murshid, SH
Javahiraly, N
Ishihara, AK
TI Optical waveguide modeling of conducting metal oxide enabled evanescent
wave absorption spectroscopy sensors
SO PHOTONICS APPLICATIONS FOR AVIATION, AEROSPACE, COMMERCIAL, AND HARSH
ENVIRONMENTS V
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Photonics Applications for Aviation, Aerospace,
Commercial, and Harsh Environments V
CY AUG 18-21, 2014
CL San Diego, CA
SP SPIE
DE evanescent wave absorption sensors; high temperature sensors; AZO;
optical modeling
AB Recent work has demonstrated significant promise for high temperature optical gas sensing based upon optical property responses in a class of high electronic conductivity metal oxides. In this work, we theoretically simulate the response of aluminum-doped zinc-oxide (an exemplary conducting metal oxide) in optical fiber evanescent wave absorption spectroscopy sensor devices through the application of a general model of the optical constants for this class of materials in conjunction with prior published material-specific constants for the systems under investigation. Theoretical simulations are compared with recently published experimental results for Al-doped ZnO thin films and the various factors responsible for optimizing sensing responses in this class of materials will be discussed.
C1 [Buric, M.; Chorpening, B.] Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26505 USA.
[Ohodnicki, P. R., Jr.] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
[Ohodnicki, P. R., Jr.] Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA.
RP Buric, M (reprint author), Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26505 USA.
EM Michael.buric@netl.doe.gov
FU United States Government; Neither the United States Government
FX This report was prepared as an account of work sponsored by an agency of
the United States Government. Neither the United States Government nor
any agency thereof, nor any of their employees, makes any warranty,
express or implied, or assumes any legal liability or responsibility for
the accuracy, completeness, or usefulness of any information, apparatus,
product, or process disclosed, or represents that its use would not
infringe privately owned rights. Reference herein to any specific
commercial product, process, or service by trade name, trademark,
manufacturer, or otherwise does not necessarily constitute or imply its
endorsement, recommendation, or favoring by the United States Government
or any agency thereof. The views and opinions of authors expressed
herein do not necessarily state or reflect those of the United States
Government or any agency thereof.
NR 12
TC 1
Z9 1
U1 0
U2 8
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-229-1
J9 PROC SPIE
PY 2014
VL 9202
AR UNSP 92021I
DI 10.1117/12.2061362
PG 9
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5JR
UT WOS:000343913000046
ER
PT J
AU Smith, JW
Lam, RK
Sheardy, AT
Shih, O
Rizzuto, AM
Borodin, O
Harris, SJ
Prendergast, D
Saykally, RJ
AF Smith, Jacob W.
Lam, Royce K.
Sheardy, Alex T.
Shih, Orion
Rizzuto, Anthony M.
Borodin, Oleg
Harris, Stephen J.
Prendergast, David
Saykally, Richard J.
TI X-Ray absorption spectroscopy of LiBF4 in propylene carbonate: a model
lithium ion battery electrolyte
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID MOLECULAR-DYNAMICS SIMULATIONS; SOLVENT INTERACTION; ETHYLENE CARBONATE;
SOLVATION SHEATH; GRAPHITIC ANODE; LI+; LIQUID; LIPF6; CONDUCTIVITY;
INTERPHASE
AB Since their introduction into the commercial marketplace in 1991, lithium ion batteries have become increasingly ubiquitous in portable technology. Nevertheless, improvements to existing battery technology are necessary to expand their utility for larger-scale applications, such as electric vehicles. Advances may be realized from improvements to the liquid electrolyte; however, current understanding of the liquid structure and properties remains incomplete. X-ray absorption spectroscopy of solutions of LiBF4 in propylene carbonate (PC), interpreted using first-principles electronic structure calculations within the eXcited electron and Core Hole (XCH) approximation, yields new insight into the solvation structure of the Li+ ion in this model electrolyte. By generating linear combinations of the computed spectra of Li+- associating and free PC molecules and comparing to the experimental spectrum, we find a Li+ -solvent interaction number of 4.5. This result suggests that computational models of lithium ion battery electrolytes should move beyond tetrahedral coordination structures.
C1 [Smith, Jacob W.; Lam, Royce K.; Sheardy, Alex T.; Shih, Orion; Rizzuto, Anthony M.; Saykally, Richard J.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Smith, Jacob W.; Lam, Royce K.; Sheardy, Alex T.; Saykally, Richard J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Borodin, Oleg] US Army Res Lab, Electrochem Branch, Adelphi, MD 20783 USA.
[Harris, Stephen J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Prendergast, David] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
RP Saykally, RJ (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
EM saykally@berkeley.edu
RI Borodin, Oleg/B-6855-2012; Foundry, Molecular/G-9968-2014;
OI Borodin, Oleg/0000-0002-9428-5291; Lam, Royce/0000-0003-2878-038X
FU Lawrence Berkeley National Laboratory; Advanced Light Source; National
Energy Research Scientific Computing Center; Office of Science, Office
of Basic Energy Sciences, of the U. S. Department of Energy
[DE-AC0205CH11231]
FX This work was supported by facilities of the Lawrence Berkeley National
Laboratory, the Advanced Light Source and National Energy Research
Scientific Computing Center, supported by the Director, Office of
Science, Office of Basic Energy Sciences, of the U. S. Department of
Energy under Contract No. DE-AC0205CH11231. The authors would like to
acknowledge the excellent experimental support of all staff at the
Advanced Light Source, with special thanks to Wanli Yang, Jonathan
Spear, Alejandro Aguilar, and David Kilcoyne.
NR 51
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U1 1
U2 49
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 43
BP 23568
EP 23575
DI 10.1039/c4cp03240c
PG 8
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AS0NL
UT WOS:000343974100009
PM 25175723
ER
PT J
AU Pratihar, S
Kohale, SC
Bhakta, DG
Laskin, J
Hase, WL
AF Pratihar, Subha
Kohale, Swapnil C.
Bhakta, Dhruv G.
Laskin, Julia
Hase, William L.
TI Dynamics of energy transfer and soft-landing in collisions of protonated
dialanine with perfluorinated self-assembled monolayer surfaces
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID ETHANOL MOLECULAR-IONS; SLOW POLYATOMIC IONS; MASS-SELECTED IONS;
INDUCED DISSOCIATION; PEPTIDE-IONS; COVALENT IMMOBILIZATION;
HYPERTHERMAL O(P-3); CHEMICAL-DYNAMICS; FORCE-FIELD; SCATTERING
AB Chemical dynamics simulations are reported which provide atomistic details of collisions of protonated dialanine, ala(2)-H+, with a perfluorinated octanethiolate self-assembled monolayer (F-SAM) surface. The simulations are performed at collision energies E-i of 5.0, 13.5, 22.5, 30.00, and 70 eV, and incident angles 0 degrees (normal) and 45 degrees (grazing). Excellent agreement with experiment (J. Am. Chem. Soc., 2000, 122, 9703-9714) is found for both the average fraction and distribution of the collision energy transferred to the ala(2)-H+ internal degrees of freedom. The dominant pathway for this energy transfer is to ala(2)-H+ vibration, but for E-i = 5.0 eV similar to 20% of the energy transfer is to ala(2)-H+ rotation. Energy transfer to ala(2)-H+ rotation decreases with increase in Ei and becomes negligible at high E-i. Three types of collisions are observed in the simulations: i.e. those for which ala(2)-H+ (1) directly scatters off the F-SAM surface; (2) sticks/physisorbs on/in the surface, but desorbs within the 10 ps numerical integration of the simulations; and (3) remains trapped (i.e. soft-landed) on/in the surface when the simulations are terminated. Penetration of the F-SAM by ala(2)-H+ is important for the latter two types of events. The trapped trajectories are expected to have relatively long residence times on the surface, since a previous molecular dynamics simulation (J. Phys. Chem. B, 2014, 118, 5577-5588) shows that thermally accommodated ala(2)-H+ ions have an binding energy with the F-SAM surface of at least similar to 15 kcal mol(-1).
C1 [Pratihar, Subha; Kohale, Swapnil C.; Bhakta, Dhruv G.; Hase, William L.] Texas Tech Univ, Dept Chem & Biochem, Lubbock, TX 79409 USA.
[Laskin, Julia] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
RP Hase, WL (reprint author), Texas Tech Univ, Dept Chem & Biochem, Lubbock, TX 79409 USA.
EM bill.hase@ttu.edu
RI Laskin, Julia/H-9974-2012;
OI Laskin, Julia/0000-0002-4533-9644; Pratihar, Subha/0000-0003-0530-7645
FU Robert A. Welch Foundation [D-0005]; High Performance Computing Center
(HPCC) at Texas Tech; U.S. Department of Energy (DOE), Office of Basic
Energy Sciences, Chemical Sciences, Geosciences & Biosciences Division
FX The research at Texas Tech University is based upon work supported by
the Robert A. Welch Foundation under grant No. D-0005. Support was also
provided by the High Performance Computing Center (HPCC) at Texas Tech,
under the direction of Philip W. Smith. The authors also wish to thank
the Texas Advanced Computing Center (TACC) for the computational
facilities they provided. JL acknowledges support from the U.S.
Department of Energy (DOE), Office of Basic Energy Sciences, Chemical
Sciences, Geosciences & Biosciences Division.
NR 59
TC 3
Z9 3
U1 1
U2 23
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 43
BP 23769
EP 23778
DI 10.1039/c4cp03535f
PG 10
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AS0NL
UT WOS:000343974100030
PM 25274280
ER
PT J
AU Smith, DMA
Raugei, S
Squier, TC
AF Smith, Dayle M. A.
Raugei, Simone
Squier, Thomas C.
TI Modulation of active site electronic structure by the protein matrix to
control [NiFe] hydrogenase reactivity
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID RAY-STRUCTURE ANALYSIS; GAUSSIAN-BASIS SETS; MOLECULAR-DYNAMICS; FEFE
HYDROGENASES; CRYSTAL-STRUCTURE; CATALYTIC CYCLE; SPIN-STATE; DENSITY;
RESOLUTION; DFT
AB Control of the reactivity of the nickel center of the [NiFe] hydrogenase and other metalloproteins commonly involves outer coordination sphere ligands that act to modify the geometry and physical properties of the active site metal centers. We carried out a combined set of classical molecular dynamics and quantum/classical mechanics calculations to provide quantitative estimates of how dynamic fluctuations of the active site within the protein matrix modulate the electronic structure at the catalytic center. Specifically we focused on the dynamics of the inner and outer coordination spheres of the cysteinate-bound Ni-Fe cluster in the catalytically active Ni-C state. There are correlated movements of the cysteinate ligands and the surrounding hydrogen-bonding network, which modulate the electron affinity at the active site and the proton affinity of a terminal cysteinate. On the basis of these findings, we hypothesize a coupling between protein dynamics and electron and proton transfer reactions critical to dihydrogen production.
C1 [Smith, Dayle M. A.; Raugei, Simone] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Squier, Thomas C.] Western Univ Hlth Sci, Lebanon, OR 97335 USA.
RP Smith, DMA (reprint author), Pacific NW Natl Lab, POB 999,MSIN J4-33, Richland, WA 99352 USA.
EM dayle.smith@pnnl.gov
FU US DOE Basic Energy Sciences (BES), Division of Chemical Sciences,
Geosciences and Biosciences
FX This work was funded by the US DOE Basic Energy Sciences (BES), Division
of Chemical Sciences, Geosciences and Biosciences. Computer resources
were provided by the Environmental Molecular Sciences Laboratory at the
Pacific Northwest National Laboratory. The authors thank Aaron Appel and
Marat Valiev of PNNL for helpful discussions.
NR 44
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U1 3
U2 20
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 43
BP 24026
EP 24033
DI 10.1039/c4cp03518f
PG 8
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AS0NL
UT WOS:000343974100058
PM 25285653
ER
PT J
AU Kandziolka, MV
Kidder, MK
Gill, L
Wu, Z
Savara, A
AF Kandziolka, M. V.
Kidder, M. K.
Gill, L.
Wu, Z.
Savara, A.
TI Aromatic-hydroxyl interaction of an alpha-aryl ether lignin
model-compound on SBA-15, present at pyrolysis temperatures
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID BENZYL PHENYL ETHER; HYDROGEN-BOND; BIO-OIL; FT-IR; HYDRODEOXYGENATION
ADSORPTION; INFRARED-SPECTROSCOPY; ASYMMETRIC CATALYSIS;
DIFFUSE-REFLECTANCE; MESOPOROUS SILICA; BIOMASS
AB An aromatic alpha-aryl ether compound (a benzyl phenyl ether analogue) was covalently grafted to mesoporous silica SBA-15, to create BPEa-SBA-15. The BPEa-SBA-15 was subjected to successive heating cycles up to 600 degrees C, with in situ monitoring by DRIFTS. It was found that the toluene moiety coordinates to SBA-15 surface silanol hydroxyl groups via an aromatic-hydroxyl interaction. This interaction is evidenced by a red-shift of the aromatic C-H stretches, as well as a red-shift and broadening of the surface hydroxyl O-H stretches, which are features characteristic of a hydrogen bond. These features remain present during heating until similar to 400 degrees C whereupon the ether linkage of BPEa-SBA-15 is cleaved, accompanied by loss of the toluene moiety.
C1 [Kandziolka, M. V.; Kidder, M. K.; Gill, L.; Wu, Z.; Savara, A.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Wu, Z.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Savara, A (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
EM savaraa@ornl.gov
RI Wu, Zili/F-5905-2012; Savara, Aditya (Ashi)/A-8831-2010
OI Wu, Zili/0000-0002-4468-3240; Savara, Aditya (Ashi)/0000-0002-1937-2571
FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of
Basic Energy Sciences, U.S. Department of Energy; Scientific User
Facilities Division, Office of Basic Energy Sciences, U.S. Department of
Energy
FX This research was sponsored by the Division of Chemical Sciences,
Geosciences, and Biosciences, Office of Basic Energy Sciences, U.S.
Department of Energy. A portion of this research (in situ IR
spectroscopy) was conducted at the Center for Nanophase Materials
Sciences, which is sponsored at Oak Ridge National Laboratory by the
Scientific User Facilities Division, Office of Basic Energy Sciences,
U.S. Department of Energy.
NR 47
TC 4
Z9 5
U1 0
U2 34
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 44
BP 24188
EP 24193
DI 10.1039/c4cp02633k
PG 6
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AS4ME
UT WOS:000344249400006
PM 25045863
ER
PT S
AU Peteanu, LA
Hong, JY
Jeon, S
Kim, J
Devi, D
Wildeman, J
Sfeir, MY
Werner, JH
Shreve, AP
AF Peteanu, Linda A.
Hong, Jiyun
Jeon, SuKyung
Kim, Janice
Devi, Diane
Wildeman, Jurjen
Sfeir, Matthew Y.
Werner, James H.
Shreve, Andrew P.
BE Banerji, N
Hayes, SC
Silva, C
TI Optical properties of conjugated materials and their aggregates: towards
imaging of films and devices
SO PHYSICAL CHEMISTRY OF INTERFACES AND NANOMATERIALS XIII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Physical Chemistry of Interfaces and Nanomaterials XIII
CY AUG 17-20, 2014
CL San Diego, CA
SP SPIE
DE conjugated polymers; MEH-PPV; oligomers; fluorescence; microscopy;
lifetime; aggregates; spectroscopy; imaging; FLIM
ID SPECTROSCOPY; DYNAMICS; PPV
AB Applications of conjugated polymers in photovoltaics and displays drive the need to understand how morphology affects emission and charge migration. Due to the inherent complexity of polymers, parallel studies of oligomer aggregates are required to 'build-up' an understanding of the polymer features. Fluorescence lifetime imaging microscopy (FLIM) is used to probe variations in vibronic patterns and emission lifetime between individual aggregates and trends in these properties as a function of aggregate size. This technique yields insight into the structure and packing properties of these materials in the aggregated state.
C1 [Peteanu, Linda A.; Hong, Jiyun; Jeon, SuKyung; Kim, Janice; Devi, Diane] Carnegie Mellon Univ, Dept Chem, 4400 Fifth Ave, Pittsburgh, PA 15213 USA.
[Wildeman, Jurjen] Zernike Inst Adv Mat Nijenborgh, NL-49747 AG Groningen, Netherlands.
[Sfeir, Matthew Y.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Werner, James H.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Mat Phys & Appl Div, Los Alamos, NM 87544 USA.
[Shreve, Andrew P.] Univ New Mexico, Dept Biomed Engn, Albuquerque, NM 87131 USA.
RP Peteanu, LA (reprint author), Carnegie Mellon Univ, Dept Chem, 4400 Fifth Ave, Pittsburgh, PA 15213 USA.
OI Sfeir, Matthew/0000-0001-5619-5722; Werner, James/0000-0002-7616-8913
FU NSF [CHE- 079112]; U. S. Department of Energy, Office of Basic Energy
Sciences at Los Alamos National Laboratory [DE- AC52- 06NA25396]; Sandia
National Laboratories [DE- AC0494AL85000]; Center for Functional
Nanomaterials, Brookhaven National Laboratory; U. S. Department of
Energy, Office of Basic Energy Sciences [DE- AC02- 98CH10886]
FX L. A. P. acknowledges NSF CHE- 079112 for financial support. This work
was performed, in part, at the Center for Integrated Nanotechnologies, a
U. S. Department of Energy, Office of Basic Energy Sciences user
facility at Los Alamos National Laboratory ( Contract DE- AC52-
06NA25396) and Sandia National Laboratories ( Contract DE-
AC0494AL85000) and 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- AC02- 98CH10886.
NR 12
TC 0
Z9 0
U1 0
U2 5
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-192-8
J9 PROC SPIE
PY 2014
VL 9165
AR UNSP 91650L
DI 10.1117/12.2063460
PG 4
WC Chemistry, Physical; Nanoscience & Nanotechnology; Optics
SC Chemistry; Science & Technology - Other Topics; Optics
GA BB5PS
UT WOS:000344017200007
ER
PT J
AU Tice, JD
Desai, AV
Bassett, TA
Apblett, CA
Kenis, PJA
AF Tice, Joshua D.
Desai, Amit V.
Bassett, Thomas A.
Apblett, Christopher A.
Kenis, Paul J. A.
TI Control of pressure-driven components in integrated microfluidic devices
using an on-chip electrostatic microvalve
SO RSC ADVANCES
LA English
DT Article
ID ACTUATORS; CHANNELS; DESIGN; MICROLENS
AB Pressure-driven actuators play a critical role in many microfluidic technologies, but the ancillary equipment needed to operate pneumatic and hydraulic platforms has limited their portability. To address this issue, we created an electrostatic microvalve used to regulate pressures in hydraulic control lines. In turn, these control lines are able to actuate pressure-driven components, e.g., microvalves. The electrostatic microvalve is fabricated exclusively with soft-lithographic techniques, allowing it to be directly integrated in a microfluidic chip. The electrostatic microvalve also contains a passive structural element that balances the pressure on the top and bottom sides of the actuating membrane. This feature enables the microvalve to induce pressure changes up to 20 kPa with electric potentials less than 320 V. When the microvalve is integrated into a microfluidic "pressure amplifier" circuit, the pressure output of the circuit can be tuned with the voltage applied to the microvalve. This integration allows for different types of pressure-driven components to be actuated with variable pressures, and thus eliminates the need for off-chip pressure regulation. In the example reported here, only one actuator is required to adjust the pressure of a single hydraulic line.
C1 [Tice, Joshua D.; Desai, Amit V.; Bassett, Thomas A.; Kenis, Paul J. A.] Univ Illinois, Dept Chem & Biomol Engn, Urbana, IL 61801 USA.
[Apblett, Christopher A.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Apblett, Christopher A.] Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA.
RP Kenis, PJA (reprint author), Univ Illinois, Dept Chem & Biomol Engn, Urbana, IL 61801 USA.
EM caapble@sandia.gov; kenis@illinois.edu
RI Kenis, Paul/S-7229-2016
OI Kenis, Paul/0000-0001-7348-0381
FU Sandia National Laboratories - DOE through grant LDRD [922327]; Center
for Nanoscale Chemical Electrical Mechanical Manufacturing Systems
(Nano-CEMMS) at the University of Illinois - NSF [DMI-0328162]; Center
for Microanalysis of Materials in the Frederick Seitz Materials Research
Laboratory Central Facilities at the University of Illinois
FX We thank Dr Gregory Ten Eyck, Andrew Collard, and Christopher Hamlin for
assisting with preliminary fabrication and characterization. Dr James
Wentz and John Roschek generously provided electrical testing equipment;
Dane Sievers assisted in the measurement of sheet resistance of MWNT
films, and Li Gao measured the cross-sectional dimensions of the
micro-valve. We also gratefully acknowledge financial support from
Sandia National Laboratories, funded by the DOE through grant LDRD
PR#922327; the Center for Nanoscale Chemical Electrical Mechanical
Manufacturing Systems (Nano-CEMMS) at the University of Illinois, funded
by the NSF through grant DMI-0328162; and the Center for Microanalysis
of Materials in the Frederick Seitz Materials Research Laboratory
Central Facilities at the University of Illinois.
NR 29
TC 3
Z9 3
U1 3
U2 24
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 2014
VL 4
IS 93
BP 51593
EP 51602
DI 10.1039/c4ra10341f
PG 10
WC Chemistry, Multidisciplinary
SC Chemistry
GA AS6QK
UT WOS:000344387400071
ER
PT S
AU Cady, SL
Blok, M
Grosse, K
Wells, J
AF Cady, Sherry L.
Blok, Mikel
Grosse, Keith
Wells, Jennifer
BE Postek, MT
Newbury, DE
Platek, SF
Maugel, TK
TI Project NANO (nanoscience and nanotechnology outreach): a STEM training
program that brings SEM's and stereoscopes into high-school and
middle-school classrooms
SO SCANNING MICROSCOPIES 2014
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Scanning Microscopies
CY SEP 16-18, 2014
CL Monterey, CA
SP SPIE
DE SEM; optical microscope; stereoscope; electron beam technology;
education; middle school; high school; secondary education; professional
development; STEM
AB The program Project NANO (Nanoscience and Nanotechnology Outreach) enables middle and high school students to discover and research submicroscopic phenomena in a new and exciting way with the use of optical and scanning electron microscopes in the familiar surroundings of their middle or high school classrooms. Project NANO provides secondary level professional development workshops, support for classroom instruction and teacher curriculum development, and the means to deliver Project NANO toolkits (SEM, stereoscope, computer, supplies) to classrooms with Project NANO trained teachers. Evaluation surveys document the impact of the program on student's attitudes toward science and technology and on the learning outcomes for secondary level teachers. Project NANO workshops (offered for professional development credit) enable teachers to gain familiarity using and teaching with the SEM. Teachers also learn to integrate new content knowledge and skills into topic-driven, standards-based units of instruction specifically designed to support the development of students' higher order thinking skills that include problem solving and evidence-based thinking. The Project NANO management team includes a former university science faculty, two high school science teachers, and an educational researcher. To date, over 7500 students have experienced the impact of the Project NANO program, which provides an exciting and effective model for engaging students in the discovery of nanoscale phenomena and concepts in a fun and engaging way.
C1 [Cady, Sherry L.] Pacific Northwest Natl Lab, Richland, WA 99352 USA.
[Blok, Mikel] Beaverton High Sch, Beaverton, OR USA.
[Grosse, Keith] Lake Oswego High Sch, Lake Oswego, OR USA.
[Wells, Jennifer] Portland State Univ, Portland, OR 97207 USA.
RP Cady, SL (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA.
FU Office of Biological and Environmental Research
FX Project NANO has operated for this last 3 years with generous support
from the M. J. Murdock Charitable Trust, PhenomWorld USA, Nanoscience,
Inc., and the College of Letters and Sciences and the Center for Science
Education at Portland State University. We thank the Portland State
University Foundation and Drake Mitchell and K. C. Hall at Portland
State University for their advising and administrative contributions to
the program. SLK has been able to continue to lead Project NANO after
her retirement from the Department of Geology at Portland State
University with permission from the Environmental and Molecular Sciences
Laboratory ( EMSL), a United States Department of Energy Office of
Science User Facility sponsored by the Office of Biological and
Environmental Research and located at the Pacific Northwest National
Laboratory.
NR 4
TC 0
Z9 0
U1 0
U2 6
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-299-4
J9 PROC SPIE
PY 2014
VL 9236
AR UNSP 92360Q
DI 10.1117/12.2084632
PG 6
WC Microscopy; Optics
SC Microscopy; Optics
GA BB5JJ
UT WOS:000343909200019
ER
PT S
AU Lee, BM
Loh, KJ
Burton, AR
Loyola, BR
AF Lee, Bo Mi
Loh, Kenneth J.
Burton, Andrew R.
Loyola, Bryan R.
BE Lynch, JP
Wang, KW
Sohn, H
TI Modeling the electromechanical and strain response of carbon
nanotube-based nanocomposites
SO SENSORS AND SMART STRUCTURES TECHNOLOGIES FOR CIVIL, MECHANICAL, AND
AEROSPACE SYSTEMS 2014
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Sensors and Smart Structures Technologies for Civil,
Mechanical, and Aerospace Systems
CY MAR 10-13, 2014
CL San Diego, CA
SP SPIE, Amer Soc Mech Engineers
DE Carbon nanotube; electromechanical properties; numerical modeling;
percolation; strain sensing; thin film
ID ELECTRICAL-CONDUCTIVITY; COMPOSITES; PERCOLATION; NETWORKS; SENSOR;
FILMS
AB Over the last few decades, carbon nanotube (CNT)-based thin films or nanocomposites have been widely investigated as a multifunctional material. The proposed applications extend beyond sensing, ultra-strong coatings, biomedical grafts, and energy harvesting, among others. In particular, thin films characterized by a percolated and random distribution of CNTs within a flexible polymeric matrix have been shown to change its electrical properties in response to applied strains. While a plethora of experimental work has been conducted, modeling their electromechanical response remains challenging. Furthermore, their design and optimization require the derivation of accurate electromechanical models that could predict thin film response to applied strains. Thus, the objective of this study is to implement a percolation-based piezoresistive model that could explain the underlying mechanisms for strain sensing. First, a percolation-based model with randomly distributed, straight CNTs was developed in MATLAB. Second, the number of CNTs within a unit area was varied to explore its influence on percolation probability. Then, to understand how the film's electrical properties respond to strain, two different models were implemented. Both models calculated the geometrical response of the film and CNTs due to applied uniaxial strains. The first model considered the fact that the electrical resistance of individual CNTs changed depending solely on its length between junctions. The other model further explored the idea of incorporating strain sensitivity of individual CNTs. The electromechanical responses and the strain sensitivities of the two models were compared by calculating how their bulk resistance varied due to applied tensile and compressive strains. The numerical model results were then qualitatively compared to experimental results reported in the literature.
C1 [Lee, Bo Mi; Loh, Kenneth J.] Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA.
[Burton, Andrew R.; Loyola, Bryan R.] Sandia Natl Labs, Livermore, CA USA.
[Burton, Andrew R.] Univ Michigan, Dept Civil Environm Engn, Ann Arbor, MI USA.
RP Loh, KJ (reprint author), Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA.
EM kjloh@ucdavis.edu
RI Loh, Kenneth/P-3218-2016
OI Loh, Kenneth/0000-0003-1448-6251
FU U. S. National Science Foundation ( NSF) [CAREER CMMI1253564]; U. S.
Department of Energy's National Nuclear Security Administration [DE-
AC04- 94AL85000]
FX The U. S. National Science Foundation ( NSF) provided support for this
research under grant no. CAREER CMMI1253564. Mr. Andrew Burton was a
former under- graduate student at the University of California, Davis
when this work first began. Sandia National Laboratories is a multi-
program laboratory managed and operated by Sandia Corporation, a wholly
owned subsidiary of Lockheed Martin Corporation, for the U. S.
Department of Energy's National Nuclear Security Administration under
contract DE- AC04- 94AL85000.
NR 38
TC 0
Z9 0
U1 2
U2 7
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9987-5
J9 PROC SPIE
PY 2014
VL 9061
AR UNSP 906117
DI 10.1117/12.2044566
PG 11
WC Engineering, Aerospace; Engineering, Civil; Engineering, Mechanical;
Optics
SC Engineering; Optics
GA BB5UD
UT WOS:000344110800031
ER
PT S
AU Riosbaas, MT
Loh, KJ
O'Bryan, G
Loyola, BR
AF Riosbaas, Miranda T.
Loh, Kenneth J.
O'Bryan, Greg
Loyola, Bryan R.
BE Lynch, JP
Wang, KW
Sohn, H
TI In Situ Phase Change Characterization of PVDF Thin Films using Raman
Spectroscopy
SO SENSORS AND SMART STRUCTURES TECHNOLOGIES FOR CIVIL, MECHANICAL, AND
AEROSPACE SYSTEMS 2014
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Sensors and Smart Structures Technologies for Civil,
Mechanical, and Aerospace Systems
CY MAR 10-13, 2014
CL San Diego, CA
SP SPIE, Amer Soc Mech Engineers
DE Beta phase; in situ characterization; piezoelectric; PVDF; Raman
spectroscopy
ID POLY(VINYLIDENE FLUORIDE); TENSILE; COMPOSITES; STRAIN
AB The development of a piezoelectric impact detection sensor is desired for aerospace, civil, and military applications. Implementation of a poly(vinylidene fluoride) (PVDF)-based architectural coating is ideal for such a purpose as it is designed to be easily deposited on complex geometries, be mechanically robust, and piezoelectric properties can be induced into the coating. In order to utilize PVDF as a sensor, the polymer must be converted from typical alpha phase to beta phase prior to electrostatic poling. This research focuses on the in situ characterization of mechanical activation of the beta phase in a non-sprayable PVDF thin film using in situ Raman spectroscopy for real time monitoring of PVDF phase content. The PVDF thin films were experimentally characterized as freestanding thin films drawn in a tensile stage, while in-situ Raman spectroscopic measurements were obtained at a wavelength of 532 nm. The Raman spectrum of each phase of PVDF is known to be unique and was correlated with the amount of alpha and beta phases in the characterized film during and after phase transition. The load and strain data from the tensile stage was associated with the in situ Raman spectra of the PVDF, thereby providing a relationship between load, strain, and beta phase content in these PVDF thin films.
C1 [Riosbaas, Miranda T.] Univ Calif Davis, Dept Mech & Aeronaut Engn, Davis, CA 95616 USA.
[Loh, Kenneth J.] Univ Calif Davis, Department Civil & Environm Engn, Davis, CA 95616 USA.
[O'Bryan, Greg; Loyola, Bryan R.] Sandia Natl Labs, Livermore, CA 94551 USA.
RP Riosbaas, MT (reprint author), Univ Calif Davis, Dept Mech & Aeronaut Engn, Davis, CA 95616 USA.
EM brloyol@sandia.gov
RI Loh, Kenneth/P-3218-2016
OI Loh, Kenneth/0000-0003-1448-6251
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; National Science Foundation (NSF) [DGE-1148897]
FX The authors would like to thank Sandia National Laboratories for the
generous use of their facilities. 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. In addition, the authors would like to
acknowledge Dr. Alec Talin for his generosity in his training of and
allowing the use of the Raman spectroscopy setup, and Dr. Timothy Briggs
for his expertise and advice in the mechanical deformation of polymers..
This material was based upon work supported by the National Science
Foundation (NSF) Graduate Research Fellowship Program (GFRP) under Grant
No. DGE-1148897. Any opinion, findings, and conclusions or
recommendations expressed in this material are those of the authors(s)
and do not necessarily reflect the views of NSF.
NR 22
TC 1
Z9 1
U1 1
U2 15
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9987-5
J9 PROC SPIE
PY 2014
VL 9061
AR UNSP 90610Z
DI 10.1117/12.2045430
PG 11
WC Engineering, Aerospace; Engineering, Civil; Engineering, Mechanical;
Optics
SC Engineering; Optics
GA BB5UD
UT WOS:000344110800025
ER
PT S
AU Sun, J
Proulx, C
Zuckermann, RN
AF Sun, Jing
Proulx, Caroline
Zuckermann, Ronald N.
BE Lutz, JF
Meyer, TY
Ouchi, M
Sawamoto, M
TI Precision Sequence Control in Bioinspired Peptoid Polymers
SO SEQUENCE-CONTROLLED POLYMERS: SYNTHESIS, SELF-ASSEMBLY, AND PROPERTIES
SE ACS Symposium Series
LA English
DT Proceedings Paper
CT 1st International Symposium on Sequence-controlled Polymers: Synthesis,
Self-Assembly, and Properties / 246th American-Chemical-Society National
Meeting
CY APR 13, 2013
CL Indianapolis, IN
SP Amer Chem Soc, Div Polymer Chem
ID COIL-TO-GLOBULE; BLOCK-COPOLYMERS; NONBIOLOGICAL POLYMER; COMBINATORIAL
LIBRARY; DIBLOCK COPOLYMERS; MASS-SPECTROMETRY; PHASE SYNTHESIS;
DISCOVERY; PROTEINS; CRYSTALLIZATION
AB 'Recent advances in solid-phase organic synthesis are shrinking the gap between biopolymers and traditional polymers. It is now possible to synthesize synthetic polymers with exact control over main chain length and monomer sequence, which is leading to a new class of information-rich materials. Peptoids are a particularly promising bio-inspired polymer platform because of their highly efficient synthesis and ready availability of starting materials. Hundreds of chemically diverse side chains can be introduced from simple building blocks, allowing their properties to be finely tuned. The peptoid platform allows the systematic investigation of new materials that are intermediate between proteins and bulk polymers, in both their structure and their properties. Here we review recent examples of peptoid polymers where the polymer properties are the direct result of the specific monomer sequence.
C1 [Sun, Jing; Proulx, Caroline; Zuckermann, Ronald N.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
RP Sun, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
EM rnzuckermann@lbl.gov
NR 71
TC 0
Z9 0
U1 0
U2 4
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-3001-9
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2014
VL 1170
BP 35
EP 53
PG 19
WC Chemistry, Multidisciplinary; Polymer Science
SC Chemistry; Polymer Science
GA BB5RN
UT WOS:000344037800003
ER
PT S
AU Li, J
Washington, MA
Bell, KL
Weiss, RM
Rothstein, SN
Little, SR
Edenborn, HM
Meyer, TY
AF Li, Jian
Washington, Michael A.
Bell, Kerri L.
Weiss, Ryan M.
Rothstein, Sam N.
Little, Steven R.
Edenborn, Harry M.
Meyer, Tara Y.
BE Lutz, JF
Meyer, TY
Ouchi, M
Sawamoto, M
TI Engineering Hydrolytic Degradation Behavior of Poly(lactic-co-glycolic
acid) through Precise Control of Monomer Sequence
SO SEQUENCE-CONTROLLED POLYMERS: SYNTHESIS, SELF-ASSEMBLY, AND PROPERTIES
SE ACS Symposium Series
LA English
DT Proceedings Paper
CT 1st International Symposium on Sequence-controlled Polymers: Synthesis,
Self-Assembly, and Properties / 246th American-Chemical-Society National
Meeting
CY APR 13, 2013
CL Indianapolis, IN
SP Amer Chem Soc, Div Polymer Chem
ID DRUG-DELIVERY SYSTEMS; IN-VITRO DEGRADATION; RADICAL POLYMERIZATION;
MICROSTRUCTURAL ANALYSIS; MECHANICAL-PROPERTIES; FUNCTIONAL POLYMERS;
PLGA DEVICES; COPOLYMERS; MICROSPHERES; RELEASE
AB The hydrolytic degradation behavior of biodegradable poly (lactic-co-glycolic acid) (PLGA) copolymers is shown to depend on monomer sequence. Although polymer properties would be expected to correlate with monomer sequence there are relatively few examples outside of biological polymers to substantiate this assertion. PLGA, one of the most widely used biodegradable polymers, was prepared with repeating sequences, e.g., (LLG). (L = lactic unit; G = glycolic unit). All properties related to hydrolytic degradation including molecular weight, lactic acid release, mass loss, water uptake, morphology, and in vitro release of encapsulated rhodamine-B were shown to depend on sequence. In contrast with random copolymers, sequenced PLGAs were found to exhibit a steady hydrolysis profile without abrupt changes in properties release rates.
C1 [Li, Jian; Washington, Michael A.; Bell, Kerri L.; Weiss, Ryan M.; Meyer, Tara Y.] Univ Pittsburgh, Dept Chem, Pittsburgh, PA 15260 USA.
[Rothstein, Sam N.; Little, Steven R.] Univ Pittsburgh, Dept Chem Engn, Pittsburgh, PA 15260 USA.
[Little, Steven R.] Univ Pittsburgh, Dept Bioengn, Dept Immunol, Pittsburgh, PA 15260 USA.
[Little, Steven R.; Meyer, Tara Y.] Univ Pittsburgh, McGowan Inst Regenerat Med, Pittsburgh, PA 15260 USA.
[Edenborn, Harry M.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
RP Li, J (reprint author), Univ Pittsburgh, Dept Chem, Pittsburgh, PA 15260 USA.
EM tmeyer@pitt.edu
FU NSF [CHE-1410119]; University of Pittsburgh
FX We thank Sid Jhunjhunwala for helping with the preparation and
characterization of microparticles, Hsiang-Kai Lin and Prof. Michael
Trakselis for microcentrifuge access and Ethel Burse for lactic acid
release assays. Funding from NSF (CHE-1410119) and the University of
Pittsburgh is acknowledged.
NR 82
TC 0
Z9 0
U1 0
U2 7
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-3001-9
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2014
VL 1170
BP 271
EP +
PG 5
WC Chemistry, Multidisciplinary; Polymer Science
SC Chemistry; Polymer Science
GA BB5RN
UT WOS:000344037800018
ER
PT J
AU Kwasniewski, P
Fluerasu, A
Madsen, A
AF Kwasniewski, Pawel
Fluerasu, Andrei
Madsen, Anders
TI Anomalous dynamics at the hard-sphere glass transition
SO SOFT MATTER
LA English
DT Article
ID ANGLE SCATTERING DATA; MODE-COUPLING THEORY; X-RAY-SCATTERING;
STRUCTURAL RELAXATION; COLLOIDAL SUSPENSIONS; LIGHT-SCATTERING;
BEHAVIOR; LIQUIDS
AB We use X-ray photon correlation spectroscopy to study the dynamics of hard sphere suspensions and report the emergence of ergodicity restoring anomalous intermittent relaxation modes in the highest concentration suspension that is estimated to be above the glass transition concentration. We associate these phenomena with non-thermal stress induced relaxations and support our interpretation by a direct comparison of the results with predictions of the mode coupling theory.
C1 [Kwasniewski, Pawel] European Synchrotron Radiat Facil, F-38043 Grenoble, France.
[Fluerasu, Andrei] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA.
[Madsen, Anders] European Xray Free Electron Laser, D-22761 Hamburg, Germany.
RP Kwasniewski, P (reprint author), DESY Photon Sci, Notkestr 85, D-22607 Hamburg, Germany.
EM pawel.kwasniewski@desy.de
FU DOE [E-AC02-98CH10886]
FX We thank A. Moussaid, C. Quilliet, Y. Chushkin, T. Narayanan, and M.
Sztucki for useful discussions and help with the experiments. B. R. Pauw
is acknowledged for making the McSAS fitting code available. L.
Cipelletti and G. Monaco are acknowledged for valuable comments on the
manuscript. We wish to acknowledge the staff of the ID10A and ID02
beamlines at the ESRF for technical support during the measurements. AF
acknowledges support from DOE grant E-AC02-98CH10886 (NSLS-II project).
NR 40
TC 4
Z9 4
U1 3
U2 24
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 2014
VL 10
IS 43
BP 8698
EP 8704
DI 10.1039/c4sm01671h
PG 7
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA AS0TS
UT WOS:000343992100012
PM 25255771
ER
PT B
AU Perlman, C
Hanes, S
AF Perlman, Carole
Hanes, Susan
BE Rhim, LM
Redding, S
TI State Approaches to Turnaround in ESEA Flexibility Plans
SO STATE ROLE IN SCHOOL TURNAROUND: EMERGING BEST PRACTICES
LA English
DT Article; Book Chapter
C1 [Perlman, Carole] Chicago Publ Sch, Chicago, IL USA.
[Perlman, Carole] Natl Assoc Test Directors, Shaker Hts, OH USA.
[Perlman, Carole] Natl Advisory Board, CRESST, Shaker Hts, OH USA.
[Hanes, Susan] Georgia Dept Educ, Atlanta, GA USA.
[Hanes, Susan] Georgia Off Educ Accountabil, Atlanta, GA USA.
[Hanes, Susan] US DOE, Washington, DC 20585 USA.
NR 12
TC 0
Z9 0
U1 0
U2 0
PU INFORMATION AGE PUBLISHING-IAP
PI CHARLOTTE
PA PO BOX 79049, CHARLOTTE, NC 28271-7047 USA
BN 978-1-62396-670-6; 978-1-62396-671-3
PY 2014
BP 115
EP 130
PG 16
WC Education & Educational Research
SC Education & Educational Research
GA BB4VD
UT WOS:000343389300010
ER
PT B
AU Twyman, JS
AF Twyman, Janet S.
BE Rhim, LM
Redding, S
TI Leveraging Technology to Accelerate School Turnaround
SO STATE ROLE IN SCHOOL TURNAROUND: EMERGING BEST PRACTICES
LA English
DT Article; Book Chapter
ID RESPONSE SYSTEMS; EDUCATION; METAANALYSIS; INTEGRATION; ELEMENTARY;
TEACHER
C1 [Twyman, Janet S.] Cambridge Ctr Behav Studies, Educ Grp, Cambridge, England.
[Twyman, Janet S.] Univ Massachusetts, Sch Med, Amherst, MA 01003 USA.
[Twyman, Janet S.] US DOE, Natl Ctr Innovat Learning, Washington, DC 20585 USA.
NR 66
TC 0
Z9 0
U1 1
U2 1
PU INFORMATION AGE PUBLISHING-IAP
PI CHARLOTTE
PA PO BOX 79049, CHARLOTTE, NC 28271-7047 USA
BN 978-1-62396-670-6; 978-1-62396-671-3
PY 2014
BP 131
EP 144
PG 14
WC Education & Educational Research
SC Education & Educational Research
GA BB4VD
UT WOS:000343389300011
ER
PT J
AU Balasin, H
Blaschke, DN
Gieres, F
Schweda, M
AF Balasin, Herbert
Blaschke, Daniel N.
Gieres, Francois
Schweda, Manfred
TI Wong's Equations and Charged Relativistic Particles in Non-Commutative
Space
SO SYMMETRY INTEGRABILITY AND GEOMETRY-METHODS AND APPLICATIONS
LA English
DT Article
DE non-commutative geometry; gauge field theories; Lagrangian and
Hamiltonian formalism; symmetries and conservation laws
ID YANG-MILLS PARTICLES; QUANTUM-MECHANICS; FIELD; ALGEBRAS; DYNAMICS;
GEOMETRY; PLANE
AB In analogy to Wong's equations describing the motion of a charged relativistic point particle in the presence of an external Yang-Mills field, we discuss the motion of such a particle in non-commutative space subject to an external U-*(1) gauge field. We conclude that the latter equations are only consistent in the case of a constant field strength. This formulation, which is based on an action written in Moyal space, provides a coarser level of description than full QED on non-commutative space. The results are compared with those obtained from the different Hamiltonian approaches. Furthermore, a continuum version for Wong's equations and for the motion of a particle in non-commutative space is derived.
C1 [Balasin, Herbert; Schweda, Manfred] Vienna Univ Technol, Inst Theoret Phys, A-1040 Vienna, Austria.
[Blaschke, Daniel N.] Los Alamos Natl Lab, Div Theory, Los Alamos, NM 87545 USA.
[Gieres, Francois] Univ Lyon 1, F-69622 Villeurbanne, France.
[Gieres, Francois] CNRS, IN2P3, Inst Phys Nucl, F-69622 Villeurbanne, France.
RP Balasin, H (reprint author), Vienna Univ Technol, Inst Theoret Phys, Wiedner Hauptstr 8-10, A-1040 Vienna, Austria.
EM hbalasin@tph.tuwien.ac.at; dblaschke@lanl.gov; gieres@ipnl.in2p3.fr;
mschweda@tph.tuwien.ac.at
FU Austrian Academy of Sciences
FX dD.B. is a recipient of an APART fellowship of the Austrian Academy of
Sciences, and is also grateful for the hospitality of the theory
division of LANL and its partial financial support. F.G. wishes to thank
Fabien Vignes-Tourneret for a useful discussion on the Moyal algebra. We
wish to thank the anonymous referees as well as the editors for their
pertinent and constructive comments which contributed to the
clarification of several points, as well as for pointing out several
relevant references.
NR 46
TC 3
Z9 3
U1 0
U2 4
PU NATL ACAD SCI UKRAINE, INST MATH
PI KYIV 4
PA 3 TERESCHCHENKIV SKA ST, KYIV 4, 01601, UKRAINE
SN 1815-0659
J9 SYMMETRY INTEGR GEOM
JI Symmetry Integr. Geom.
PY 2014
VL 10
AR 099
DI 10.3842/SIGMA.2014.099
PG 21
WC Physics, Mathematical
SC Physics
GA AS6WF
UT WOS:000344399400001
ER
PT S
AU Grady, WM
Thomas, H
Razon, A
AF Grady, W. Mack
Thomas, Holly
Razon, Alvin
GP IEEE
TI An Evaluation Procedure for Estimating Voltage Ripple Caused by Cloud
Shadows Moving Over High-Penetration PV Distribution Networks
SO 2014 IEEE 16TH INTERNATIONAL CONFERENCE ON HARMONICS AND QUALITY OF
POWER (ICHQP)
SE International Conference on Harmonics and Quality of Power
LA English
DT Proceedings Paper
CT 16th International Conference on Harmonics and Quality of Power (ICHQP)
CY MAY 25-28, 2014
CL Univ Politehnica Bucharest, Bucharest, ROMANIA
SP IEEE Power & Energy Soc, Eximprod Grup, EnergoBit, Fundatia Ave Maria, Universitatea Maritima Constanta
HO Univ Politehnica Bucharest
AB Voltage ripple is a very old problem in power systems and has been, for the most part, solved for decades. Now, with the likely emergence of widespread photovoltaic generation on rooftops, combined with moving cloud shadows, voltage ripple problems could reappear. For example, if 50% of the load on a power distribution feeder in full sun is supplied by distributed PV, voltage ripple will obviously occur as clouds drift over, reducing individual PV outputs to 30% of full-sun levels. The question is "how large is the voltage ripple likely to be?" This paper presents a cloud shadow model, procedure, and simulation tool suitable for answering the question.
C1 [Grady, W. Mack] Baylor Univ, Waco, TX 76798 USA.
[Thomas, Holly; Razon, Alvin] US DOE, Golden, CO USA.
RP Grady, WM (reprint author), Baylor Univ, Waco, TX 76798 USA.
EM Mack_Grady@baylor.edu; Holly.Thomas@go.doe.gov; Alvin.Razon@EE.Doe.gov
FU Virginia Polytechnic Institute and State University [DE-EE0002062]
FX This work was supported by the Department of Energy, "Field Verification
of High Penetration Levels of PV into the Distribution Grid with
Advanced Power Conditioning Systems," DOE Contract No. DE-EE0002062
through Virginia Polytechnic Institute and State University.
NR 3
TC 0
Z9 0
U1 0
U2 1
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 2164-0610
BN 978-1-4673-6487-4
J9 INT C HARMON QUAL PO
PY 2014
BP 249
EP 252
PG 4
WC Energy & Fuels; Engineering, Electrical & Electronic
SC Energy & Fuels; Engineering
GA BB5FH
UT WOS:000343776100052
ER
PT S
AU Hughart, DR
Flicker, JD
Atcitty, S
Marinella, MJ
Kaplar, RJ
AF Hughart, D. R.
Flicker, J. D.
Atcitty, S.
Marinella, M. J.
Kaplar, R. J.
GP IEEE
TI Sensitivity Analysis of a Technique for the Extraction of Interface Trap
Density in SiC MOSFETs from Subthreshold Characteristics
SO 2014 IEEE INTERNATIONAL RELIABILITY PHYSICS SYMPOSIUM
SE International Reliability Physics Symposium
LA English
DT Proceedings Paper
CT International Reliability Physics Symposium (IRPS)
CY JUN 01-05, 2014
CL Waikoloa, HI
SP IEEE Electron Devices Soc, IEEE Reliability Soc
DE silicon carbide; subthreshold slope; interface traps; power electronics;
elevated temperature; reliability
ID RELIABILITY
AB A method for extracting interface trap density (D-IT) from subthreshold I-V characteristics is used to analyze data on a SiC MOSFET stressed for thirty minutes at 175 degrees C with a gate bias of -20 V. Without knowing the channel doping, the change in D-IT can be calculated when referenced to an energy level correlated with the threshold voltage.
C1 [Hughart, D. R.; Flicker, J. D.; Atcitty, S.; Marinella, M. J.; Kaplar, R. J.] Sandia Natl Labs, Albuquerque, NM 87111 USA.
RP Hughart, DR (reprint author), Sandia Natl Labs, Albuquerque, NM 87111 USA.
EM dhughar@sandia.gov
NR 12
TC 0
Z9 0
U1 0
U2 1
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 1541-7026
BN 978-1-4799-3317-4
J9 INT RELIAB PHY SYM
PY 2014
PG 6
WC Engineering, Electrical & Electronic
SC Engineering
GA BB5GG
UT WOS:000343833200010
ER
PT S
AU Khalil, SG
Ray, L
Chen, M
Chu, R
Zehnder, D
Garrido, A
Munsi, M
Kim, S
Hughes, B
Boutros, K
Kaplar, RJ
Dickerson, J
DasGupta, S
Atcitty, S
Marinella, MJ
AF Khalil, S. G.
Ray, L.
Chen, M.
Chu, R.
Zehnder, D.
Garrido, A.
Munsi, M.
Kim, S.
Hughes, B.
Boutros, K.
Kaplar, R. J.
Dickerson, J.
DasGupta, S.
Atcitty, S.
Marinella, M. J.
GP IEEE
TI Trap-Related Parametric Shifts under DC Bias and Switched Operation Life
Stress in Power AlGaN/GaN HEMTs
SO 2014 IEEE INTERNATIONAL RELIABILITY PHYSICS SYMPOSIUM
SE International Reliability Physics Symposium
LA English
DT Proceedings Paper
CT International Reliability Physics Symposium (IRPS)
CY JUN 01-05, 2014
CL Waikoloa, HI
SP IEEE Electron Devices Soc, IEEE Reliability Soc
DE AlGaN/GaN; Power HEMT; reliability; field plate; trapping
AB This paper reports on trap-related shifts of the transfer curve and threshold voltage of power AlGaN/GaN HEMTs under switched bias operating life and reverse and forward DC bias stress. Opposite polarity threshold voltage shifts at room temperature under operating life and reverse bias stress conditions can be explained by means of drain current transient measurements under reverse bias stress conditions. A proposed model to explain the trapping/de-trapping behavior under different stress conditions is described and highlights the critical role of the electric field. Experimental evidence of the importance of the role of the electric field is seen in reduced parametric shift by improving the field plate design.
C1 [Khalil, S. G.; Ray, L.; Chen, M.; Chu, R.; Zehnder, D.; Garrido, A.; Munsi, M.; Kim, S.; Hughes, B.; Boutros, K.] HRL Labs, Malibu, CA 90265 USA.
[Kaplar, R. J.; Dickerson, J.; DasGupta, S.; Atcitty, S.; Marinella, M. J.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Khalil, SG (reprint author), HRL Labs, Malibu, CA 90265 USA.
EM sgkhalil@hrl.com; rjkapla@sandia.gov
FU General Motors; DOE Office of Electricity; U.S. Department of Energy's
National Nuclear Security administration [DE-AC0494AL85000]
FX The authors thank General Motors for their support of this work. The
work at Sandia National Laboratories was supported by the Energy Storage
Program managed by Dr. Imre Gyuk of the DOE Office of Electricity.
Sandia is a multi-program laboratory operated by Sandia Corporation, a
Lockheed Martin company, for the U.S. Department of Energy's National
Nuclear Security administration under contract DE-AC0494AL85000. The
authors thank D. Hughart of SNL for reviewing the manuscript.
NR 13
TC 0
Z9 0
U1 0
U2 3
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 1541-7026
BN 978-1-4799-3317-4
J9 INT RELIAB PHY SYM
PY 2014
PG 9
WC Engineering, Electrical & Electronic
SC Engineering
GA BB5GG
UT WOS:000343833200129
ER
PT S
AU Artemiev, NA
Smith, BV
Domning, EE
Chow, KP
Lacey, I
Yashchuk, VV
AF Artemiev, Nikolay A.
Smith, Brian V.
Domning, Edward E.
Chow, Ken P.
Lacey, Ian
Yashchuk, Valeriy V.
BE Assoufid, L
Ohashi, H
Asundi, AK
TI Angular calibration of surface slope measuring profilers with a bendable
mirror
SO ADVANCES IN METROLOGY FOR X-RAY AND EUV OPTICS V
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Metrology for X-Ray and EUV Optics V
CY AUG 18, 2014
CL San Diego, CA
SP SPIE
DE Systematic error; long trace profiler; metrology of X-ray optics;
bendable mirrors; characteristic function; regression analysis;
synchrotron radiation
AB Performance of state-of-the-art surface slope measuring profilers, such as the Advanced Light Source's (ALS) long trace profiler (LTP-II) and developmental LTP (DLTP) is limited by the instrument's systematic error. The systematic error is specific for a particular measurement arrangement and, in general, depends on both the measured surface slope value and the position along a surface under test. Here we present an original method to characterize or measure the instrument's systematic error using a bendable X-ray mirror as a test surface. The idea of the method consists of extracting the systematic error from multiple measurements performed at different mirror bendings. An optimal measurement strategy for the optic, under different settings of the benders, and the method of accurate fitting of the measured slope variations with characteristic functions are discussed. We describe the procedure of separation of the systematic error of an actual profiler from surface slope variation inherent to the optic. The obtained systematic error, expressed as a function of the angle of measurement, is useful as a calibration of the instrument arranged to measure an optic with a close curvature and length. We show that accounting for the systematic error enables the optimal setting of bendable optics to the desired ideal shape with accuracy limited only by the experimental noise. Application of the method in the everyday metrology practice increases the accuracy of the measurements and allows measurements of highly curved optics with accuracy similar to those achieved with flat optics. This work was supported by the U. S. Department of Energy under Contract No. DE-AC02-05CH11231.
C1 [Artemiev, Nikolay A.; Smith, Brian V.; Domning, Edward E.; Chow, Ken P.; Lacey, Ian; Yashchuk, Valeriy V.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Artemiev, NA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM NArtemiev@lbl.gov
NR 33
TC 0
Z9 0
U1 3
U2 5
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-233-8
J9 PROC SPIE
PY 2014
VL 9206
AR 92060G
DI 10.1117/12.2061948
PG 14
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5HQ
UT WOS:000343876300011
ER
PT S
AU Lacey, I
Artemiev, NA
Domning, EE
McKinney, WR
Morrison, GY
Morton, SA
Smith, BV
Yashchuk, VV
AF Lacey, Ian
Artemiev, Nikolay A.
Domning, Edward E.
McKinney, Wayne R.
Morrison, Gregory Y.
Morton, Simon A.
Smith, Brian V.
Yashchuk, Valeriy V.
BE Assoufid, L
Ohashi, H
Asundi, AK
TI The developmental long trace profiler (DLTP) optimized for metrology of
side-facing optics at the ALS
SO ADVANCES IN METROLOGY FOR X-RAY AND EUV OPTICS V
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Metrology for X-Ray and EUV Optics V
CY AUG 18, 2014
CL San Diego, CA
SP SPIE
DE Surface Metrology; long trace profiler; surface slope measurement; x-ray
optics; large measurement range; accuracy; stability; nanoradian
repeatability; synchrotron radiation
ID ANGLE COMPARATOR; TOPOGRAPHY; AUTOCOLLIMATORS; CALIBRATION
AB The autocollimator and moveable pentaprism based DLTP [NIM A 616 (2010) 212-223], a low-budget, NOM-like profiler at the Advanced Light Source (ALS), has been upgraded to provide fast, highly accurate surface slope metrology for long, side-facing, x-ray optics. This instrument arrangement decreases sensitivity to environmental conditions and removes the gravity effect on mirror shape. We provide design details of an affordable base tool, including clean-room environmental arrangements in the new ALS X-ray Optics Laboratory with advanced temperature stabilization and turbulence reduction, that yield measurements in under 8 hours with accuracy better than 30 nanoradians (rms) for super polished, 190 mm flat optics, limited mainly by residual temporal instability of the experimental set-up. The upgraded DLTP has been calibrated for highly curved x-ray optics, allowing same day measurements of a 15 m ROC sphere with accuracy of better than 100 nanoradians (rms). The developed calibration procedure is discussed in detail. We propose this specific 15 m ROC sphere for use as a round-robin calibration test optic.
C1 [Lacey, Ian; Artemiev, Nikolay A.; Domning, Edward E.; McKinney, Wayne R.; Morrison, Gregory Y.; Morton, Simon A.; Smith, Brian V.; Yashchuk, Valeriy V.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Lacey, I (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM ilacey@lbl.gov
NR 37
TC 1
Z9 1
U1 2
U2 5
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-233-8
J9 PROC SPIE
PY 2014
VL 9206
AR 920603
DI 10.1117/12.2061969
PG 11
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5HQ
UT WOS:000343876300002
ER
PT S
AU Shu, D
Qian, J
Liu, W
Kearney, S
Anton, J
Sullivan, J
Assoufid, L
AF Shu, D.
Qian, J.
Liu, W.
Kearney, S.
Anton, J.
Sullivan, J.
Assoufid, L.
BE Assoufid, L
Ohashi, H
Asundi, AK
TI Design of a Precision Two-Dimensional Tip-Tilting Stage System for
Autocollimator-based Long Trace Profiler Angular Calibration
SO ADVANCES IN METROLOGY FOR X-RAY AND EUV OPTICS V
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Metrology for X-Ray and EUV Optics V
CY AUG 18, 2014
CL San Diego, CA
SP SPIE
DE x-ray optics; long trace profiler; precision motion control
ID OPTICS
AB Autocollimator-based long trace profiler requires precise angular calibration to perform accurate measurements for xray mirrors. A prototype of a precision two-dimensional tip-tilting stage system has been designed and tested for a new autocollimator-based long trace profiler at the Advanced Photon Source (APS), Argonne National Laboratory (ANL). This flexural stage system is designed to meet challenging mechanical and optical specifications for producing high positioning resolution and stability for angular calibration for autocollimator-based long trace profiler. It could also be used as a precision mirror manipulator for hard x-ray nano-focusing with Montel mirror optics.
The mechanical design of a precision two-dimensional tip-tilting stage system as well as preliminary test results of its precision positioning performance are presented in this paper.
C1 [Shu, D.; Qian, J.; Liu, W.; Kearney, S.; Anton, J.; Sullivan, J.; Assoufid, L.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
RP Shu, D (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
NR 14
TC 0
Z9 0
U1 1
U2 2
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-233-8
J9 PROC SPIE
PY 2014
VL 9206
AR 92060H
DI 10.1117/12.2062216
PG 8
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5HQ
UT WOS:000343876300012
ER
PT S
AU Yashchuk, VV
Artemiev, NA
Lacey, I
McKinney, WR
Padmore, HA
AF Yashchuk, Valeriy V.
Artemiev, Nikolay A.
Lacey, Ian
McKinney, Wayne R.
Padmore, Howard A.
BE Assoufid, L
Ohashi, H
Asundi, AK
TI A new X-ray optics laboratory (XROL) at the ALS: Mission, arrangement,
metrology capabilities, performance, and future plans
SO ADVANCES IN METROLOGY FOR X-RAY AND EUV OPTICS V
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in Metrology for X-Ray and EUV Optics V
CY AUG 18, 2014
CL San Diego, CA
SP SPIE
DE x-ray optics; optical metrology; surface slope profilometry; LTP;
surface interferometry; microscopy; error reduction; calibration
ID LONG TRACE PROFILER; GROOVE DENSITY; DIFFRACTION GRATINGS;
NEW-GENERATION; MIRRORS; CALIBRATION; SYSTEM; INTERFEROMETRY; ACCURACY;
LASER
AB The X-Ray Optics Laboratory (XROL) at the Advanced Light Source (ALS), a unique optical metrology lab, has been recently moved to a new, dedicated clean-room facility that provides improved environmental and instrumental conditions vitally required for high accuracy metrology with state-of-the-art X-ray optics. Besides the ALS, the XROL serves several DOE labs that lack dedicated on-site optical metrology capabilities, including the Linac Coherent Light Source (LCLS) at SLAC and LBNL's Center for X-Ray Optics (CXRO). The major role of XROL is to proactively support the development and optimal beamline use of x-ray optics. The application of different instruments available in the lab enables separate, often complementary, investigations and addresses of different potential sources of error affecting beamline performance. At the beamline, all the perturbations combine to produce a cumulative effect on the performance of the optic that makes it difficult to optimize the optic's operational performance. Ex situ metrology allows us to address the majority of the problems before the installation of the optic at a beamline, and to provide feedback on design and guidelines for the best usage of optics. We will review the ALS XROL mission, lab design and arrangement, ex situ metrology capabilities and performance, as well as the future plans for instrumentation upgrades. The discussion will be illustrated with the results of a broad spectrum of measurements of x-ray optics and optical systems performed at the XROL.
C1 [Yashchuk, Valeriy V.; Artemiev, Nikolay A.; Lacey, Ian; McKinney, Wayne R.; Padmore, Howard A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Yashchuk, VV (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
EM vvyashchuk@lbl.gov
NR 88
TC 6
Z9 6
U1 0
U2 5
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-233-8
J9 PROC SPIE
PY 2014
VL 9206
AR 92060I
DI 10.1117/12.2062042
PG 19
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5HQ
UT WOS:000343876300013
ER
PT S
AU Conley, R
Shi, B
Erdmann, M
Izzo, S
Assoufid, L
Goetze, K
Mooney, T
Lauer, K
AF Conley, Ray
Shi, Bing
Erdmann, Mark
Izzo, Scott
Assoufid, Lahsen
Goetze, Kurt
Mooney, Tim
Lauer, Kenneth
BE Morawe, C
Khounsary, AM
Goto, S
TI APS Deposition Facility Upgrades and Future Plans
SO ADVANCES IN X-RAY/EUV OPTICS AND COMPONENTS IX
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in X-Ray/EUV Optics and Components IX held as
part of the SPIE 2014 International Symposium on Optics + Photonics
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE Deposition system; multilayer; x-ray optics; thin film; magnetron
sputtering
AB The Advanced Photon Source (APS) has recently invested resources to upgrade or replace aging deposition systems with modern equipment. Of the three existing deposition systems, one will receive an upgrade, while two are being replaced. A design which adds a three-substrate planetary for the APS rotary deposition system is almost complete. The replacement for the APS large deposition system, dubbed the "Modular Deposition System", has been conceptually designed and is in the procurement process. Eight cathodes will sputter horizontally on mirrors up to 1.5 meters in length. This new instrument is designed to interface with ion-milling instruments and various metrology equipment for ion-beam figuring. A third linear machine, called the APS Profile Coating System, has two cathodes and is designed to accept substrates up to 200mm in length. While this machine is primarily intended for fabrication of figured KB mirrors using the profile-coating technique, it has also been used to produce multilayer monochromators for beamline use.
C1 [Conley, Ray; Shi, Bing; Erdmann, Mark; Izzo, Scott; Assoufid, Lahsen; Goetze, Kurt; Mooney, Tim] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Lauer, Kenneth] Brookhaven Natl Lab, Brookhaven, AR USA.
RP Conley, R (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
FU U. S. Department of Energy, Office of Science [DE- AC0206CH11357]
FX Work at Argonne was supported by the U. S. Department of Energy, Office
of Science, under Contract No. DE- AC0206CH11357.
NR 6
TC 0
Z9 0
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-234-5
J9 PROC SPIE
PY 2014
VL 9207
AR UNSP 92070I
DI 10.1117/12.2062427
PG 6
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5HS
UT WOS:000343877600016
ER
PT S
AU Kujala, N
Macrander, A
Shi, XB
Reininger, R
Gao, X
Burns, C
AF Kujala, Naresh
Macrander, Albert
Shi, Xianbo
Reininger, Ruben
Gao, Xuan
Burns, Clement
BE Morawe, C
Khounsary, AM
Goto, S
TI Ray tracing simulation of 1-BM beamline at the Advanced Photon Source
for polarization analyses of synchrotron optics
SO ADVANCES IN X-RAY/EUV OPTICS AND COMPONENTS IX
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in X-Ray/EUV Optics and Components IX held as
part of the SPIE 2014 International Symposium on Optics + Photonics
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE Optics and detector test beamline; 1-BM; X-ray optics; Ray-tracing;
SHADOW program
AB In this paper, we present recent progress on polarization optics using the 1-BM beamline at the Advanced Photon Source, Argonne National Laboratory. Beamline 1-BM was recently repurposed for optics and detector testing. SHADOW software, a ray-tracing program for the simulation of optical systems of synchrotron radiation beamlines, is used to model the beamline. In this paper, we present optical ray-tracing studies for test set-ups that take advantage of the polarization variation of the bending magnet radiation above and below the horizontal plane of the beamline.
C1 [Kujala, Naresh; Macrander, Albert; Shi, Xianbo; Reininger, Ruben] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
Univ Kalamazoo, Kalamazoo, MI USA.
RP Kujala, N (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
FU U. S. Department of Energy, Office of Science [DE- AC0206CH11357]; U. S.
Department of Energy, Office of Basic Energy Sciences, Division of
Materials Sciences and Engineering [DE- FG02- 99ER45772]
FX This work is supported by the U. S. Department of Energy, Office of
Science, under Contract No. DE- AC0206CH11357. The experimental work by
CAB and XG was supported by the U. S. Department of Energy, Office of
Basic Energy Sciences, Division of Materials Sciences and Engineering,
under Award DE- FG02- 99ER45772.
NR 14
TC 1
Z9 1
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-234-5
J9 PROC SPIE
PY 2014
VL 9207
AR UNSP 92070F
DI 10.1117/12.2062577
PG 6
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5HS
UT WOS:000343877600013
ER
PT S
AU Rack, A
Morawe, C
Mancini, L
Dreossi, D
Parkinson, DY
Mac Dowell, AA
Siewert, F
Rack, T
Holz, T
Kramer, M
Dietsch, R
AF Rack, A.
Morawe, Ch
Mancini, L.
Dreossi, D.
Parkinson, D. Y.
Mac Dowell, A. A.
Siewert, F.
Rack, T.
Holz, T.
Kramer, M.
Dietsch, R.
BE Morawe, C
Khounsary, AM
Goto, S
TI Reflection on multilayer mirrors: beam profile and coherence properties
SO ADVANCES IN X-RAY/EUV OPTICS AND COMPONENTS IX
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in X-Ray/EUV Optics and Components IX held as
part of the SPIE 2014 International Symposium on Optics + Photonics
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE multilayer mirrors; coherence; X-ray monochromator; X-ray imaging; X-ray
phase contrast; synchrotron radiation; wave front preservation
ID FRONT PRESERVATION CAPABILITIES; SYNCHROTRON-RADIATION; PHASE; ID19;
ESRF; OPTICS; LIGHT
AB The main advantage of Bragg reflection from a multilayer mirror as a monochromator for hard X-rays, is the higher photon flux density because of the larger spectral bandpass compared with crystal lattice reflection. The main disadvantage lies in the strong modulations of the reflected beam profile. This is a major issue for micro-imaging applications, where multilayer-based monochromators are frequently employed to deliver high photon flux density. A subject of particular interest is the origin of the beam profile modifications, namely the irregular stripe patterns, induced by the reflection on a multilayer. For multilayer coatings in general it is known that the substrate and its surface quality significantly influence the performance of mirrors, as the coating reproduces to a certain degree the roughness and shape of the substrate. This proceedings article reviews recent experiments that indicate potential options for producing wave front-preserving multilayer mirrors, as well as new details on the particular mirrors our group has extensively studied in the past.
C1 [Rack, A.; Morawe, Ch] European Synchrotron Radiat Facil, BP 220, F-38043 Grenoble, France.
[Mancini, L.; Dreossi, D.] Elettra Sincrotrone Trieste, I-34149 Basovizza, Italy.
[Parkinson, D. Y.; Mac Dowell, A. A.] Lawrence Berkeley Natl Lab, Adv Light Source Div, Berkeley, CA 94720 USA.
[Siewert, F.] Helmholtz Zentrum Berlin Mat & Energie, D-12489 Berlin, Germany.
[Siewert, F.] BESSY II, D-12489 Berlin, Germany.
[Rack, T.] Novitom, F-38000 Grenoble, France.
[Holz, T.; Kramer, M.; Dietsch, R.] FAXO DRESDEN GmbH, D-01237 Dresden, Germany.
RP Rack, A (reprint author), European Synchrotron Radiat Facil, BP 220, F-38043 Grenoble, France.
EM arack@snafu.de
RI Alexander, Rack/C-9397-2012; Parkinson, Dilworth/A-2974-2015;
OI Parkinson, Dilworth/0000-0002-1817-0716; Mancini,
Lucia/0000-0003-2416-3464
FU Director, Office of Science, Office of Basic Energy Sciences, of the U.
S. Department of Energy
FX 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 25
TC 1
Z9 1
U1 1
U2 6
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-234-5
J9 PROC SPIE
PY 2014
VL 9207
AR UNSP 92070V
DI 10.1117/12.2060801
PG 7
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5HS
UT WOS:000343877600028
ER
PT S
AU Shastri, SD
Evans-Lutterodt, K
Sheffield, RL
Stein, A
Metzler, M
Kenesei, P
AF Shastri, S. D.
Evans-Lutterodt, K.
Sheffield, R. L.
Stein, A.
Metzler, M.
Kenesei, P.
BE Morawe, C
Khounsary, AM
Goto, S
TI Kinoform lens focusing of high-energy x-rays (50-100 keV)
SO ADVANCES IN X-RAY/EUV OPTICS AND COMPONENTS IX
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in X-Ray/EUV Optics and Components IX held as
part of the SPIE 2014 International Symposium on Optics + Photonics
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE x-ray refractive lenses; kinoform lenses; x-ray optics; x-ray focusing;
high-energy x-rays
ID REFRACTIVE LENSES; OPTICS; SAW
AB High-energy x-rays from a synchrotron source are well suited for numerous applications, such as studies of materials structure and stress in bulk or extreme environments. Some of these methods require high spatial resolution. Planar kinoforms are shown to focus monochromatized undulator radiation in the 50-100 keV range down to 0.2-1.5 mu m beam sizes at 0.25-2 m focal distances. These lenses were fabricated by reactive ion etching of silicon. At such high x-ray energies, these optics can offer substantial transmission and lens aperture.
C1 [Shastri, S. D.; Kenesei, P.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
Brookhaven Natl Lab, Upton, NY USA.
Cornell Univ, Ithaca, NY USA.
RP Shastri, SD (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
FU DOE Office of Science [DE- AC02- 98CH10886, DE- AC02- 06CH11357];
National Science Foundation [ECCS- 0335765]; Matter- Radiation
Interactions in Extremes program at Los Alamos National Laboratory; U.
S. Dept. of Energy ( DOE) [DE- AC52- 06NA25396]; n
FX This research was funded in part by the Matter- Radiation Interactions
in Extremes program at Los Alamos National Laboratory, supported by the
U. S. Dept. of Energy ( DOE) National Nuclear Security Administration
under Contract No. DE- AC52- 06NA25396. Use of the Advanced Photon
Source at Argonne is supported by the DOE Office of Science under
Contract No. DE- AC02- 06CH11357. Use of the Center for Functional
Nanomaterials at Brookhaven National Laboratory is supported by the DOE
Office of Science under Contract No. DE- AC02- 98CH10886.; Use of the
Cornell NanoScale Facility, a member of the National Nanotechnology
Infrastructure Network, is supported by the National Science Foundation
under Grant ECCS- 0335765.
NR 17
TC 3
Z9 3
U1 4
U2 17
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-234-5
J9 PROC SPIE
PY 2014
VL 9207
AR UNSP 920704
DI 10.1117/12.2062635
PG 9
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5HS
UT WOS:000343877600004
ER
PT S
AU Shi, B
Macrander, AT
Maser, J
Conley, R
Assoufid, L
AF Shi, Bing
Macrander, Albert T.
Maser, Joerg
Conley, Raymond
Assoufid, Lahsen
BE Morawe, C
Khounsary, AM
Goto, S
TI The effect of unequal bilayer thicknesses on stress in WSi2/Si
multilayers for Multilayer Laue Lens structures
SO ADVANCES IN X-RAY/EUV OPTICS AND COMPONENTS IX
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in X-Ray/EUV Optics and Components IX held as
part of the SPIE 2014 International Symposium on Optics + Photonics
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE multilayer x-ray optics; thin film stress; gamma value
ID THIN-FILMS
AB Stress in multilayer Laue lenses can be reduced by choosing unequal thicknesses for the two layers comprising a bilayer in the zone plate structure. We demonstrate this with the wafer curvature measured in-operando for sputter deposition of WSi2/Si bilayers. The curvature measurements showed that the compressive stress built in the multilayers during the deposition process bent the substrate wafers where these multilayers were coated onto it. Within equal thickness WSi2/Si bilayers, the Si layers contribute more compressive stress than the WSi2 layers at a 4 mTorr Argon environment. Reducing the ratio of Si's thickness in the WSi2/Si bilayer decreased the total stress.
C1 [Shi, Bing; Macrander, Albert T.; Maser, Joerg; Conley, Raymond; Assoufid, Lahsen] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
RP Shi, B (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
NR 11
TC 3
Z9 3
U1 1
U2 4
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-234-5
J9 PROC SPIE
PY 2014
VL 9207
AR 920708
DI 10.1117/12.2061869
PG 5
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5HS
UT WOS:000343877600007
ER
PT S
AU Stoupin, S
Baryshev, SV
Antipov, SP
AF Stoupin, Stanislav
Baryshev, Sergey V.
Antipov, Sergey P.
BE Morawe, C
Khounsary, AM
Goto, S
TI Flux monitoring by x-ray diffracting crystals under ambient air
conditions
SO ADVANCES IN X-RAY/EUV OPTICS AND COMPONENTS IX
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in X-Ray/EUV Optics and Components IX held as
part of the SPIE 2014 International Symposium on Optics + Photonics
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE x-ray diffraction; optical element; flux monitoring
AB An electrical response of a diffracting diamond (111) crystal was studied in a single electrode configuration where the electrode was deposited on a small portion of the crystal entrance surface. The experiment was performed in ambient air using an x-ray beam after a Si (111) double-crystal monochromator with the diamond crystal set in the Bragg diffraction condition. It was found that the electric current as a function of the Bragg angle exhibits behavior characteristic of secondary yield curves (e.g.,(1)). It is proposed to utilize this effect to monitor the intensity of the Bragg reflected x-ray beam. Such non-invasive monitoring does not rely on the use of stand-alone radiation monitors (e.g., ionization chambers) and is expected to facilitate x-ray optics alignment procedures. As an attempt to improve signal-to-noise ratio by containing the electric field in the optical element an electric response of a high-resistivity silicon crystal was studied in a two-electrode configuration. Preliminary results are reported.
C1 [Stoupin, Stanislav] Argonne Natl Lab, Adv Photon Source, Lemont, IL USA.
Argonne Natl Lab, lemont, IL USA.
Euelid tech lab, solon, OH USA.
RP Stoupin, S (reprint author), Argonne Natl Lab, Adv Photon Source, Lemont, IL USA.
EM sstoupin@aps.anl.gov
FU U. S. Department of Energy, Office of Science [DE-ACO2-06CH11357]
FX S.A. Terentyev and V.D. Blank are acknowledged for the diamond crystal
provided. D. Kline, K. Goetze, K. Lang and N. Kujala are acknowledged
for technical support. Use of the Advanced Photon Source was supported
by the U. S. Department of Energy, Office of Science, under Contract No.
DE-ACO2-06CH11357.
NR 8
TC 2
Z9 2
U1 1
U2 2
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-234-5
J9 PROC SPIE
PY 2014
VL 9207
AR UNSP 92070B
DI 10.1117/12.2062495
PG 5
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5HS
UT WOS:000343877600010
ER
PT S
AU Voronov, DL
Warwick, T
Gullikson, EM
Salmassi, F
Naulleau, P
Artemiev, NA
Lum, P
Padmore, HA
AF Voronov, D. L.
Warwick, T.
Gullikson, E. M.
Salmassi, F.
Naulleau, P.
Artemiev, N. A.
Lum, P.
Padmore, H. A.
BE Morawe, C
Khounsary, AM
Goto, S
TI Variable line spacing diffraction grating fabricated by direct write
lithography for synchrotron beamline applications
SO ADVANCES IN X-RAY/EUV OPTICS AND COMPONENTS IX
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Advances in X-Ray/EUV Optics and Components IX held as
part of the SPIE 2014 International Symposium on Optics + Photonics
CY AUG 18-20, 2014
CL San Diego, CA
SP SPIE
DE diffraction grating; x-rays; direct write lithography; wavefront
measurements; AFM; plasma etch
ID EFFICIENCY
AB A Variable Line Spacing (VLS) diffraction grating has been fabricated using an optical direct write technique. This grating is now in use at the Advanced Light Source, in beamline 12.0.1, delivering light for EUV lithography. Direct Write Lithography (DWL) with focused light at lambda = 442 nm was used for the first time to record a VLS grating pattern on a substrate coated with a photoresist. The pattern was transferred to the Si substrate surface using reactive plasma etch. Precision of groove placement was verified by wavefront measurements of a witness grating recorded simultaneously with the VLS pattern. Atomic force microscope measurements confirmed near ideal groove shape and high smoothness of the grating grooves. The grating coated with a Ru coating demonstrated diffraction efficiency of 39.5% in the negative first diffraction order which corresponds to theoretical efficiency at the wavelength of 13.5 nm. This work validates the DWL approach as a promising technique for advanced grating fabrication.
C1 [Voronov, D. L.; Warwick, T.; Gullikson, E. M.; Salmassi, F.; Naulleau, P.; Artemiev, N. A.; Padmore, H. A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
Univ Calif, Berkeley, CA 94720 USA.
RP Voronov, DL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM dlvoronov@lbl.gov
RI Foundry, Molecular/G-9968-2014
FU U. S. Department of Energy [DE- AC0205CH11231]
FX The Advanced Light Source is supported by the Director, Office of
Science, Office of Basic Energy Sciences, Material Science Division, of
the U. S. Department of Energy under Contract No. DE- AC0205CH11231 at
Lawrence Berkeley National Laboratory.
NR 7
TC 1
Z9 1
U1 2
U2 8
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-234-5
J9 PROC SPIE
PY 2014
VL 9207
AR UNSP 920706
DI 10.1117/12.2062340
PG 7
WC Optics; Physics, Applied
SC Optics; Physics
GA BB5HS
UT WOS:000343877600005
ER
PT J
AU Tsigaridis, K
Daskalakis, N
Kanakidou, M
Adams, PJ
Artaxo, P
Bahadur, R
Balkanski, Y
Bauer, SE
Bellouin, N
Benedetti, A
Bergman, T
Berntsen, TK
Beukes, JP
Bian, H
Carslaw, KS
Chin, M
Curci, G
Diehl, T
Easter, RC
Ghan, SJ
Gong, SL
Hodzic, A
Hoyle, CR
Iversen, T
Jathar, S
Jimenez, JL
Kaiser, JW
Kirkevag, A
Koch, D
Kokkola, H
Lee, YH
Lin, G
Liu, X
Luo, G
Ma, X
Mann, GW
Mihalopoulos, N
Morcrette, JJ
Muller, JF
Myhre, G
Myriokefalitakis, S
Ng, NL
O'Donnell, D
Penner, JE
Pozzoli, L
Pringle, KJ
Russell, LM
Schulz, M
Sciare, J
Seland, O
Shindell, DT
Sillman, S
Skeie, RB
Spracklen, D
Stavrakou, T
Steenrod, SD
Takemura, T
Tiitta, P
Tilmes, S
Tost, H
van Noije, T
van Zyl, PG
von Salzen, K
Yu, F
Wang, Z
Wang, Z
Zaveri, RA
Zhang, H
Zhang, K
Zhang, Q
Zhang, X
AF Tsigaridis, K.
Daskalakis, N.
Kanakidou, M.
Adams, P. J.
Artaxo, P.
Bahadur, R.
Balkanski, Y.
Bauer, S. E.
Bellouin, N.
Benedetti, A.
Bergman, T.
Berntsen, T. K.
Beukes, J. P.
Bian, H.
Carslaw, K. S.
Chin, M.
Curci, G.
Diehl, T.
Easter, R. C.
Ghan, S. J.
Gong, S. L.
Hodzic, A.
Hoyle, C. R.
Iversen, T.
Jathar, S.
Jimenez, J. L.
Kaiser, J. W.
Kirkevag, A.
Koch, D.
Kokkola, H.
Lee, Y. H.
Lin, G.
Liu, X.
Luo, G.
Ma, X.
Mann, G. W.
Mihalopoulos, N.
Morcrette, J. -J.
Mueller, J. -F.
Myhre, G.
Myriokefalitakis, S.
Ng, N. L.
O'Donnell, D.
Penner, J. E.
Pozzoli, L.
Pringle, K. J.
Russell, L. M.
Schulz, M.
Sciare, J.
Seland, O.
Shindell, D. T.
Sillman, S.
Skeie, R. B.
Spracklen, D.
Stavrakou, T.
Steenrod, S. D.
Takemura, T.
Tiitta, P.
Tilmes, S.
Tost, H.
van Noije, T.
van Zyl, P. G.
von Salzen, K.
Yu, F.
Wang, Z.
Wang, Z.
Zaveri, R. A.
Zhang, H.
Zhang, K.
Zhang, Q.
Zhang, X.
TI The AeroCom evaluation and intercomparison of organic aerosol in global
models
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID VOLATILITY BASIS-SET; BIOMASS BURNING EMISSIONS; CHEMICAL-TRANSPORT
MODEL; GENERAL-CIRCULATION MODEL; CLIMATE MODEL; CARBONACEOUS AEROSOLS;
MASS-SPECTROMETER; EARTH SYSTEM; ATMOSPHERIC AEROSOL; PARTICULATE MATTER
AB This paper evaluates the current status of global modeling of the organic aerosol (OA) in the troposphere and analyzes the differences between models as well as between models and observations. Thirty-one global chemistry transport models (CTMs) and general circulation models (GCMs) have participated in this intercomparison, in the framework of AeroCom phase II. The simulation of OA varies greatly between models in terms of the magnitude of primary emissions, secondary OA (SOA) formation, the number of OA species used (2 to 62), the complexity of OA parameterizations (gas-particle partitioning, chemical aging, multiphase chemistry, aerosol microphysics), and the OA physical, chemical and optical properties. The diversity of the global OA simulation results has increased since earlier AeroCom experiments, mainly due to the increasing complexity of the SOA parameterization in models, and the implementation of new, highly uncertain, OA sources. Diversity of over one order of magnitude exists in the modeled vertical distribution of OA concentrations that deserves a dedicated future study. Furthermore, although the OA/OC ratio depends on OA sources and atmospheric processing, and is important for model evaluation against OA and OC observations, it is resolved only by a few global models.
The median global primary OA (POA) source strength is 56 Tg a(-1) (range 34-144 Tg a(-1)) and the median SOA source strength (natural and anthropogenic) is 19 Tg a(-1) (range 13-121 Tg a(-1)). Among the models that take into account the semi-volatile SOA nature, the median source is calculated to be 51 Tg a(-1) (range 16-121 Tg a(-1)), much larger than the median value of the models that calculate SOA in a more simplistic way (19 Tg a(-1); range 13-20 Tg a(-1), with one model at 37 Tg a(-1)). The median atmospheric burden of OA is 1.4 Tg (24 models in the range of 0.6-2.0 Tg and 4 between 2.0 and 3.8 Tg), with a median OA lifetime of 5.4 days (range 3.8-9.6 days). In models that reported both OA and sulfate burdens, the median value of the OA/sulfate burden ratio is calculated to be 0.77; 13 models calculate a ratio lower than 1, and 9 models higher than 1. For 26 models that reported OA deposition fluxes, the median wet removal is 70 Tg a(-1) (range 28-209 Tg a(-1)), which is on average 85% of the total OA deposition.
Fine aerosol organic carbon (OC) and OA observations from continuous monitoring networks and individual field campaigns have been used for model evaluation. At urban locations, the model-observation comparison indicates missing knowledge on anthropogenic OA sources, both strength and seasonality. The combined model-measurements analysis suggests the existence of increased OA levels during summer due to biogenic SOA formation over large areas of the USA that can be of the same order of magnitude as the POA, even at urban locations, and contribute to the measured urban seasonal pattern.
Global models are able to simulate the high secondary character of OA observed in the atmosphere as a result of SOA formation and POA aging, although the amount of OA present in the atmosphere remains largely underestimated, with a mean normalized bias (MNB) equal to -0.62 (-0.51) based on the comparison against OC (OA) urban data of all models at the surface, -0.15 (+0.51) when compared with remote measurements, and -0.30 for marine locations with OC data. The mean temporal correlations across all stations are low when compared with OC (OA) measurements: 0.47 (0.52) for urban stations, 0.39 (0.37) for remote stations, and 0.25 for marine stations with OC data. The combination of high (negative) MNB and higher correlation at urban stations when compared with the low MNB and lower correlation at remote sites suggests that knowledge about the processes that govern aerosol processing, transport and removal, on top of their sources, is important at the remote stations. There is no clear change in model skill with increasing model complexity with regard to OC or OA mass concentration. However, the complexity is needed in models in order to distinguish between anthropogenic and natural OA as needed for climate mitigation, and to calculate the impact of OA on climate accurately.
C1 [Tsigaridis, K.; Bauer, S. E.; Koch, D.; Shindell, D. T.] Columbia Univ, Ctr Climate Syst Res, New York, NY 10027 USA.
[Tsigaridis, K.; Bauer, S. E.; Koch, D.; Shindell, D. T.] NASA, Goddard Inst Space Studies, New York, NY 10025 USA.
[Daskalakis, N.; Kanakidou, M.; Mihalopoulos, N.; Myriokefalitakis, S.] Univ Crete, Dept Chem, Environm Chem Proc Lab, Iraklion, Greece.
[Daskalakis, N.; Myriokefalitakis, S.] Fdn Res & Technol Hellas ICE HT FORTH, Inst Chem Engn, Patras, Greece.
[Adams, P. J.; Jathar, S.; Lee, Y. H.] Carnegie Mellon Univ, Dept Civil & Environm Engn, Pittsburgh, PA 15213 USA.
[Adams, P. J.] Carnegie Mellon Univ, Dept Engn & Publ Policy, Pittsburgh, PA 15213 USA.
[Artaxo, P.] Univ Sao Paulo, Dept Appl Phys, BR-05508 Sao Paulo, Brazil.
[Bahadur, R.] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA.
[Balkanski, Y.; Russell, L. M.; Sciare, J.] Lab Sci Climat & Environm, Gif Sur Yvette, France.
[Bellouin, N.] Met Off Hadley Ctr, Exeter, Devon, England.
[Benedetti, A.; Iversen, T.; Kaiser, J. W.; Morcrette, J. -J.] ECMWF, Reading, Berks, England.
[Bergman, T.; Kokkola, H.] Finnish Meteorol Inst, Kuopio, Finland.
[Berntsen, T. K.; Iversen, T.] Univ Oslo, Dept Geosci, Oslo, Norway.
[Berntsen, T. K.; Myhre, G.; Skeie, R. B.] CICERO, Oslo, Norway.
[Beukes, J. P.; Tiitta, P.; van Zyl, P. G.] North West Univ, Potchefstroom, South Africa.
[Bian, H.] Univ Maryland, Joint Ctr Environm Technol, Baltimore, MD USA.
[Carslaw, K. S.; Mann, G. W.; Spracklen, D.] Univ Leeds, Sch Earth & Environm, Leeds, W Yorkshire, England.
[Chin, M.; Diehl, T.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA.
[Curci, G.] Univ Aquila, Dept Phys CETEMPS, I-67100 Laquila, Italy.
[Diehl, T.; Steenrod, S. D.] Univ Space Res Assoc, Greenbelt, MD USA.
[Easter, R. C.; Ghan, S. J.; Liu, X.; Zaveri, R. A.; Zhang, K.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Gong, S. L.] Meteorol Serv Canada, Air Qual Res Branch, Toronto, ON, Canada.
[Hodzic, A.; Tilmes, S.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA.
[Hoyle, C. R.] Paul Scherrer Inst, Villigen, Switzerland.
[Hoyle, C. R.] Swiss Fed Inst Forest Snow & Landscape Res WSL, Inst Snow & Avalanche Res SLF, Davos, Switzerland.
[Iversen, T.; Kirkevag, A.; Schulz, M.; Seland, O.] Norwegian Meteorol Inst, Oslo, Norway.
[Jimenez, J. L.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA.
[Kaiser, J. W.] Kings Coll London, Dept Geog, London WC2R 2LS, England.
[Kaiser, J. W.; Pringle, K. J.] Max Planck Inst Chem, Dept Atmospher Chem, D-55128 Mainz, Germany.
[Lin, G.; Penner, J. E.; Sillman, S.] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA.
[Luo, G.; Yu, F.] SUNY Albany, Albany, NY 12222 USA.
[Ma, X.; von Salzen, K.] Environm Canada, Victoria, BC, Canada.
[Mann, G. W.] Univ Leeds, Natl Ctr Atmospher Sci, Leeds, W Yorkshire, England.
[Mueller, J. -F.; Stavrakou, T.] Belgian Inst Space Aeron, Brussels, Belgium.
[Ng, N. L.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA.
[Ng, N. L.] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA.
[O'Donnell, D.; Zhang, K.] Max Planck Inst Meteorol, D-20146 Hamburg, Germany.
[Pozzoli, L.] Istanbul Tech Univ, Eurasia Inst Earth Sci, TR-80626 Istanbul, Turkey.
[Pringle, K. J.] Univ Leeds, Sch Earth & Environm, Inst Climate & Atmospher Sci, Leeds, W Yorkshire, England.
[Takemura, T.] Kyushu Univ, Res Inst Appl Mech, Fukuoka 812, Japan.
[Tiitta, P.] Univ Eastern Finland, Dept Environm Sci, Fine Particle & Aerosol Technol Lab, Kuopio, Finland.
[Tost, H.] Johannes Gutenberg Univ Mainz, Inst Atmospher Phys, D-55122 Mainz, Germany.
[van Noije, T.] Royal Netherlands Meteorol Inst KNMI, De Bilt, Netherlands.
[Wang, Z.; Zhang, H.] China Meteorol Adm, Climate Ctr, Lab Climate Studies, Beijing, Peoples R China.
[Wang, Z.; Zhang, X.] Chinese Acad Meteorol Sci, Beijing, Peoples R China.
[Zhang, Q.] Univ Calif Davis, Dept Environm Toxicol, Davis, CA 95616 USA.
RP Tsigaridis, K (reprint author), Columbia Univ, Ctr Climate Syst Res, New York, NY 10027 USA.
EM kostas.tsigaridis@columbia.edu; mariak@chemistry.uoc.gr
RI Adams, Peter/D-7134-2013; Kyushu, RIAM/F-4018-2015; Zhang,
Qi/F-9653-2010; Myhre, Gunnar/A-3598-2008; Bergman, Tommi/C-2445-2009;
Zhang, Kai/F-8415-2010; Skeie, Ragnhild/K-1173-2015; Shindell,
Drew/D-4636-2012; Schulz, Michael/A-6930-2011; Spracklen,
Dominick/B-4890-2014; U-ID, Kyushu/C-5291-2016; Ghan,
Steven/H-4301-2011; Daskalakis, Nikos/B-9632-2014; Yu,
Fangqun/F-3708-2011; Hoyle, Christopher/B-7786-2008; Jimenez,
Jose/A-5294-2008; Jathar, Shantanu/A-2966-2015; Balkanski,
Yves/A-6616-2011; Penner, Joyce/J-1719-2012; Beukes, Johan/A-4868-2012;
Liu, Xiaohong/E-9304-2011; Kaiser, Johannes/A-7057-2012; Bauer,
Susanne/P-3082-2014; Takemura, Toshihiko/C-2822-2009; Carslaw,
Ken/C-8514-2009; Zaveri, Rahul/G-4076-2014; Mihalopoulos,
Nikolaos/H-5327-2016; Curci, Gabriele/A-2020-2011; Artaxo,
Paulo/E-8874-2010; Kanakidou, Maria/D-7882-2012; Myriokefalitakis,
Stylianos/J-3701-2014; Lee, Yunha/Q-7222-2016; Chin, Mian/J-8354-2012;
Tost, Holger/C-3812-2017; Kokkola, Harri/J-5993-2014;
OI Adams, Peter/0000-0003-0041-058X; Myhre, Gunnar/0000-0002-4309-476X;
Bergman, Tommi/0000-0002-6133-2231; Zhang, Kai/0000-0003-0457-6368;
Skeie, Ragnhild/0000-0003-1246-4446; Schulz,
Michael/0000-0003-4493-4158; Ghan, Steven/0000-0001-8355-8699;
Daskalakis, Nikos/0000-0002-2409-0392; Yu, Fangqun/0000-0003-0874-4883;
Hoyle, Christopher/0000-0002-1369-9143; Jimenez,
Jose/0000-0001-6203-1847; Jathar, Shantanu/0000-0003-4106-2358;
Balkanski, Yves/0000-0001-8241-2858; Beukes, Johan/0000-0003-3780-4929;
Liu, Xiaohong/0000-0002-3994-5955; Kaiser, Johannes/0000-0003-3696-9123;
Takemura, Toshihiko/0000-0002-2859-6067; Carslaw,
Ken/0000-0002-6800-154X; Zaveri, Rahul/0000-0001-9874-8807;
Mihalopoulos, Nikolaos/0000-0002-1282-0896; Curci,
Gabriele/0000-0001-9871-5570; Artaxo, Paulo/0000-0001-7754-3036;
Kanakidou, Maria/0000-0002-1724-9692; Myriokefalitakis,
Stylianos/0000-0002-1541-7680; Lee, Yunha/0000-0001-7478-2672; Tost,
Holger/0000-0002-3105-4306; van Zyl, Pieter/0000-0003-1470-3359
FU NASA-MAP (NASA) [NNX09AK32G]; PEGASOS [FP7-ENV-2010-265148]; ECLIPSE
[282688]; Research Council of Norway [207711/E10]; NOTUR/NorStore; EU
project ACCESS; Norwegian Space Center through the PM-VRAE; MACC by the
European Commission under EU [218793]; MACC-II by the European
Commission under EU [283576]; PRODEX-A3C; BIOSOA [SD/CS/05A]; Funding
Program for Next Generation World-Leading Researchers of the Cabinet
Office, Government of Japan [GR079]; DECC/Defra Met Office Hadley Centre
Climate Programme [Ga01101]; NASA-ACMAP [NNX13AK20G]; NSF [AGS-0942106,
AGS-1243354]; US Department of Energy, Office of Science, Scientific
Discovery through Advanced Computing (SciDAC) Program; Office of Science
Earth System Modeling Program; DOE (BER/ASR) [DE-FG02-11ER65293,
DE-SC0006035, DE-SC0006711]; NOAA [NA13OAR4310063]; DOE by Battelle
Memorial Institute [DE-AC06-76RLO 1830]; EPA STAR [83337701]; National
Center for Atmospheric Research; Swiss National Science Foundation
(SNSF) [200021 140663]; Deutsches Klimarechenzentrum (DKRZ);
Forschungszentrum Juelich; Research Council of Norway through SLAC
project
FX K. Tsigaridis and S. E. Bauer were supported by NASA-MAP (NASA Award
Number: NNX09AK32G); N. Daskalakis, T. Iversen, A. Kirkevag, O. Seland,
K. S. Carslaw, G. W. Mann and L. Pozzoli by PEGASOS
(FP7-ENV-2010-265148); M. Kanakidou and S. Myriokefalitakis by ECLIPSE
(FP7-ENV-2011, 282688); T. Iversen, A. Kirkevag and O. Seland also by
the Research Council of Norway through the EarthClim (207711/E10) and
NOTUR/NorStore projects, and through the EU project ACCESS; A. Kirkevag
also received funding from the Norwegian Space Center through the
PM-VRAE project; A. Benedetti, J. W. Kaiser, and J.-J. Morcrette were
funded through the MACC and MACC-II projects funded by the European
Commission under the EU Seventh Research Framework Programme, contract
numbers 218793 and 283576, respectively; J.-F. Muller and T. Stavrakou
by the Belspo projects PRODEX-A3C and BIOSOA (SD/CS/05A); T. Takemura by
the Funding Program for Next Generation World-Leading Researchers of the
Cabinet Office, Government of Japan (GR079); Y. H. Lee by the NASA MAP
and ACMAP programs; N. Bellouin by the Joint DECC/Defra Met Office
Hadley Centre Climate Programme (Ga01101); G. Luo and F. Yu by
NASA-ACMAP (NNX13AK20G) and NSF (AGS-0942106); G. Curci by the Italian
Space Agency in the frame of QUITSAT and PRIMES projects; R. C. Easter,
S. J. Ghan, X. Liu, R. A. Zaveri and K. Zhang by the US Department of
Energy, Office of Science, Scientific Discovery through Advanced
Computing (SciDAC) Program and by the Office of Science Earth System
Modeling Program; J. L. Jimenez and Q. Zhang through DOE (BER/ASR)
DE-FG02-11ER65293; J. L. Jimenez also through DOE (BER/ASR) DE-SC0006035
and DE-SC0006711, NOAA NA13OAR4310063, and NSF AGS-1243354. The Pacific
Northwest National Laboratory is operated for DOE by Battelle Memorial
Institute under Contract DE-AC06-76RLO 1830. G. Lin, J. E. Penner and S.
Sillman are funded by EPA STAR program (grant no. 83337701). A. Hodzic
and S. Tilmes were supported by the National Center for Atmospheric
Research, which is operated by the University Corporation for
Atmospheric Research on behalf of the National Science Foundation.
Resources supporting this work were provided by the NASA High-End
Computing (HEC) Program through the NASA Center for Climate Simulation
(NCCS) at Goddard Space Flight Center. C. R. Hoyle was funded through
Swiss National Science Foundation (SNSF) (grant number 200021 140663).
ECHAM5-HAMMOZ simulations were supported by the Deutsches
Klimarechenzentrum (DKRZ) and the Forschungszentrum Juelich. Model
simulations with OsloCTM2 have received support from the Research
Council of Norway through the SLAC project. The AeroCom database
benefits greatly from caretaking by Jan Griesfeller and the
infrastructure support from IT at the Norwegian Meteorological
Institute. Q. Zhang acknowledges DE-SC0001673. We also acknowledge D.
Plummer for helpful comments.
NR 209
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U2 93
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2014
VL 14
IS 19
BP 10845
EP 10895
DI 10.5194/acp-14-10845-2014
PG 51
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AS3GF
UT WOS:000344164800028
ER
PT J
AU Yu, S
Mathur, R
Pleim, J
Wong, D
Gilliam, R
Alapaty, K
Zhao, C
Liu, X
AF Yu, S.
Mathur, R.
Pleim, J.
Wong, D.
Gilliam, R.
Alapaty, K.
Zhao, C.
Liu, X.
TI Aerosol indirect effect on the grid-scale clouds in the two-way coupled
WRF-CMAQ: model description, development, evaluation and regional
analysis
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID MESOSCALE METEOROLOGICAL MODEL; RADIATION BUDGET EXPERIMENT; UNBIASED
SYMMETRIC METRICS; ATMOSPHERIC BOUNDARY-LAYER; SECONDARY ORGANIC
AEROSOLS; SOUTHEASTERN UNITED-STATES; COMMUNITY CLIMATE MODEL; NONLOCAL
CLOSURE-MODEL; LAND-SURFACE MODEL; MARINE STRATOCUMULUS
AB This study implemented first, second and glaciation aerosol indirect effects (AIE) on resolved clouds in the two-way coupled Weather Research and Forecasting Community Multiscale Air Quality (WRF-CMAQ) modeling system by including parameterizations for both cloud drop and ice number concentrations on the basis of CMAQ-predicted aerosol distributions and WRF meteorological conditions. The performance of the newly developed WRF-CMAQ model, with alternate Community Atmospheric Model (CAM) and Rapid Radiative Transfer Model for GCMs (RRTMG) radiation schemes, was evaluated with observations from the Clouds and the See http://ceres.larc.nasa.gov/. Earth's Radiant Energy System (CERES) satellite and surface monitoring networks (AQS, IMPROVE, CASTNET, STN, and PRISM) over the continental US (CONUS) (12 km resolution) and eastern Texas (4 km resolution) during August and September of 2006. The results at the Air Quality System (AQS) surface sites show that in August, the normalized mean bias (NMB) values for PM2.5 over the eastern US (EUS) and the western US (WUS) are 5.3% (-0.1%) and 0.4% (-5.2%) for WRF-CMAQ/CAM (WRF-CMAQ/RRTMG), respectively. The evaluation of PM2.5 chemical composition reveals that in August, WRF-CMAQ/CAM (WRF-CMAQ/RRTMG) consistently underestimated the observed SO42- by -23.0% (-27.7%), -12.5% (-18.9%) and -7.9% (-14.8%) over the EUS at the Clean Air Status Trends Network (CASTNET), Interagency Monitoring of Protected Visual Environments (IMPROVE) and Speciated Trends Network (STN) sites, respectively. Both configurations (WRF-CMAQ/CAM, WRF-CMAQ/RRTMG) overestimated the observed mean organic carbon (OC), elemental carbon (EC) and and total carbon (TC) concentrations over the EUS in August at the IMPROVE sites. Both configurations generally underestimated the cloud field (shortwave cloud forcing, SWCF) over the CONUS in August due to the fact that the AIE on the subgrid convective clouds was not considered when the model simulations were run at the 12 km resolution. This is in agreement with the fact that both configurations captured SWCF and longwave cloud forcing (LWCF) very well for the 4 km simulation over eastern Texas, when all clouds were resolved by the finer resolution domain. The simulations of WRF-CMAQ/CAM and WRF-CMAQ/RRTMG show dramatic improvements for SWCF, LWCF, cloud optical depth (COD), cloud fractions and precipitation over the ocean relative to those of WRF default cases in August. The model performance in September is similar to that in August, except for a greater overestimation of PM2.5 due to the overestimations of SO42-, NH4+, NO3-, and TC over the EUS, less underestimation of clouds (SWCF) over the land areas due to the lower SWCF values, and fewer convective clouds in September. This work shows that inclusion of indirect aerosol effect treatments in WRF-CMAQ represents a significant advancement and milestone in air quality modeling and the development of integrated emissions control strategies for air quality management and climate change mitigation.
C1 [Yu, S.] Zhejiang Univ, Coll Environm & Resource Sci, Res Ctr Air Pollut & Hlth, Hangzhou 310058, Zhejiang, Peoples R China.
[Mathur, R.; Pleim, J.; Wong, D.; Gilliam, R.; Alapaty, K.] US EPA, Atmospher Modeling & Anal Div, Natl Exposure Res Lab, Res Triangle Pk, NC 27711 USA.
[Zhao, C.; Liu, X.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
RP Yu, S (reprint author), Zhejiang Univ, Coll Environm & Resource Sci, Res Ctr Air Pollut & Hlth, Hangzhou 310058, Zhejiang, Peoples R China.
EM shaocaiyu@zju.edu.cn
RI Liu, Xiaohong/E-9304-2011; Zhao, Chun/A-2581-2012; yu,
shaocai/G-7806-2011; yu, shaocai/F-1394-2014; Pleim, Jonathan
Pleim/C-1331-2017
OI Liu, Xiaohong/0000-0002-3994-5955; Zhao, Chun/0000-0003-4693-7213;
Pleim, Jonathan Pleim/0000-0001-6190-6082
FU United States Environmental Protection Agency through its Office of
Research and Development; Office of Science of the US Department of
Energy as part of the Regional and Global Climate Modeling program
FX The authors would like to thank Kathleen Fahey for the constructive and
very helpful comments. The United States Environmental Protection Agency
through its Office of Research and Development funded and managed the
research described here. It has been subjected to the agency's
administrative review and approved for publication. S. Yu would like to
thank Weiping Liu from the College of Environment and Resource Sciences
at Zhejiang University for his help and support. C. Zhao and X. Liu are
partially supported by the Office of Science of the US Department of
Energy as part of the Regional and Global Climate Modeling program. The
CERES data were obtained from the NASA Langley Research Center EOSDIS
Distributed Active Archive Center. The PRISM monthly precipitation data
were downloaded from http://www.prism.oregonstate.edu/.
NR 146
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U1 6
U2 44
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2014
VL 14
IS 20
BP 11247
EP 11285
DI 10.5194/acp-14-11247-2014
PG 39
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AS3GO
UT WOS:000344165800018
ER
PT J
AU Zhao, C
Hu, Z
Qian, Y
Leung, LR
Huang, J
Huang, M
Jin, J
Flanner, MG
Zhang, R
Wang, H
Yan, H
Lu, Z
Streets, DG
AF Zhao, C.
Hu, Z.
Qian, Y.
Leung, L. Ruby
Huang, J.
Huang, M.
Jin, J.
Flanner, M. G.
Zhang, R.
Wang, H.
Yan, H.
Lu, Z.
Streets, D. G.
TI Simulating black carbon and dust and their radiative forcing in seasonal
snow: a case study over North China with field campaign measurements
SO ATMOSPHERIC CHEMISTRY AND PHYSICS
LA English
DT Article
ID LIGHT-ABSORBING IMPURITIES; MINERAL DUST; OPTICAL-PROPERTIES; ORGANIC
AEROSOLS; TIBETAN PLATEAU; SPECTRAL ALBEDO; EAST-ASIA; MODEL; CLIMATE;
EMISSIONS
AB A state-of-the-art regional model, the Weather Research and Forecasting (WRF) model (Skamarock et al., 2008) coupled with a chemistry component (Chem) (Grell et al., 2005), is coupled with the snow, ice, and aerosol radiative (SNICAR) model that includes the most sophisticated representation of snow metamorphism processes available for climate study. The coupled model is used to simulate black carbon (BC) and dust concentrations and their radiative forcing in seasonal snow over North China in January-February of 2010, with extensive field measurements used to evaluate the model performance. In general, the model simulated spatial variability of BC and dust mass concentrations in the top snow layer (hereafter BCS and DSTS, respectively) are consistent with observations. The model generally moderately underestimates BCS in the clean regions but significantly overestimates BCS in some polluted regions. Most model results fall within the uncertainty ranges of observations. The simulated BCS and DSTS are highest with > 5000 ng g(-1) and up to 5 mg g(-1), respectively, over the source regions and reduce to < 50 ng g(-1) and < 1 mu g g(-1), respectively, in the remote regions. BCS and DSTS introduce a similar magnitude of radiative warming (similar to 10 W m(-2)) in the snowpack, which is comparable to the magnitude of surface radiative cooling due to BC and dust in the atmosphere. This study represents an effort in using a regional modeling framework to simulate BC and dust and their direct radiative forcing in snowpack. Although a variety of observational data sets have been used to attribute model biases, some uncertainties in the results remain, which highlights the need for more observations, particularly concurrent measurements of atmospheric and snow aerosols and the deposition fluxes of aerosols, in future campaigns.
C1 [Zhao, C.; Hu, Z.; Qian, Y.; Leung, L. Ruby; Huang, M.; Zhang, R.; Wang, H.; Yan, H.] Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
[Hu, Z.; Huang, J.; Zhang, R.; Yan, H.] Lanzhou Univ, Minist Educ, Key Lab Semiarid Climate Change, Lanzhou, Gansu, Peoples R China.
[Jin, J.] Utah State Univ, Dept Watershed Sci, Logan, UT 84322 USA.
[Jin, J.] Utah State Univ, Dept Plants Soils & Climate, Logan, UT 84322 USA.
[Flanner, M. G.] Univ Michigan, Ann Arbor, MI 48109 USA.
[Lu, Z.; Streets, D. G.] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Zhao, C (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA.
EM chun.zhao@pnnl.gov
RI Wang, Hailong/B-8061-2010; Zhao, Chun/A-2581-2012; Yan,
Huiping/C-6847-2015; Huang, Maoyi/I-8599-2012; Flanner,
Mark/C-6139-2011; qian, yun/E-1845-2011
OI Wang, Hailong/0000-0002-1994-4402; Zhao, Chun/0000-0003-4693-7213;
Huang, Maoyi/0000-0001-9154-9485; Flanner, Mark/0000-0003-4012-174X;
FU Office of Science of the U.S. Department of Energy (DOE) as part of the
Regional & Global Climate Modeling (RGCM) program; National Basic
Research Program of China [2012CB955301]; DOE Earth System Modeling
program; China Scholarship Fund; DOE [DE-AC05-76RL01830]
FX This research was supported by the Office of Science of the U.S.
Department of Energy (DOE) as part of the Regional & Global Climate
Modeling (RGCM) program. J. Huang acknowledges support from the National
Basic Research Program of China (2012CB955301). H. Wang acknowledges
support from the DOE Earth System Modeling program. R. Zhang was
supported by the China Scholarship Fund. This study used computing
resources from the PNNL Institutional Computing. Pacific Northwest
National Laboratory is operated by Battelle Memorial Institute for the
DOE under contract DE-AC05-76RL01830. We thank Ari Laaksonen for the
editorial help. Insightful comments offered by the two anonymous
referees are highly appreciated.
NR 85
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Z9 12
U1 7
U2 42
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1680-7316
EI 1680-7324
J9 ATMOS CHEM PHYS
JI Atmos. Chem. Phys.
PY 2014
VL 14
IS 20
BP 11475
EP 11491
DI 10.5194/acp-14-11475-2014
PG 17
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AS3GO
UT WOS:000344165800030
ER
PT S
AU Altun, AO
Bond, TC
Park, HG
AF Altun, Ali Ozhan
Bond, Tiziana C.
Park, Hyung Gyu
BE Razeghi, M
Lee, YH
Ghazinejad, M
TI Femtomolar molecular detection with CNT based SERS substrate
SO CARBON NANOTUBES, GRAPHENE, AND ASSOCIATED DEVICES VII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Carbon Nanotubes, Graphene, and Associated Devices VII
CY AUG 20-21, 2014
CL San Diego, CA
SP SPIE, Aldrich Mat Sci
DE Femtomolar detection; Surface Enhanced Raman Spectroscopy (SERS)
ID ENHANCED RAMAN-SCATTERING; CARBON NANOTUBES; SPECTROSCOPY; SPECTRA;
NANOPARTICLES; DEPENDENCE; AG
AB We report a highly sensitive substrate for surface enhanced Raman spectroscopy (SERS) enabled by arrays of metal (gold and silver) nanowires on the template of vertically aligned (VA-) carbon nanotubes (CNTs) coated with a high-k dielectric hafnia (HfO2) layer as a potential barrier. Femtomolar detection of 1,2 bis-(4-pyridyl)-ethylene (BPE) is demonstrated with this non-resonant substrate. Comparison of SERS performance with and without the hafnia potential barrier establishes the critical contribution of this dielectric nano spacer to the large sensitivity. This behavior is attributed to the relief of electric charge leakage from metal to the CNT template in the presence of the virtual energy potential barrier. The VA-CNT substrate, when covered by dielectric barriers, can be a great template for a practical and reproducible SERS substrate.
C1 [Altun, Ali Ozhan; Park, Hyung Gyu] ETH, Dept Mech & Proc Engn, Nanosci Energy Technol & Sustainabil, CH-8092 Zurich, Switzerland.
[Bond, Tiziana C.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Altun, AO (reprint author), ETH, Dept Mech & Proc Engn, Nanosci Energy Technol & Sustainabil, CH-8092 Zurich, Switzerland.
EM bond7@llnl.gov; parkh@ethz.ch
RI Park, Hyung Gyu/F-3056-2013
OI Park, Hyung Gyu/0000-0001-8121-2344
NR 26
TC 0
Z9 0
U1 0
U2 6
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-195-9
J9 PROC SPIE
PY 2014
VL 9168
AR UNSP 916809
DI 10.1117/12.2061539
PG 9
WC Materials Science, Multidisciplinary; Optics
SC Materials Science; Optics
GA BB5GN
UT WOS:000343860300004
ER
PT J
AU Feibelman, PJ
AF Feibelman, Peter J.
TI What Limits Turnover Number in NH3 Synthesis on a PNP Pincer Molecule?
SO COMMENTS ON INORGANIC CHEMISTRY
LA English
DT Article
DE ammonia; mild; pincer; synthesis; turnover
ID MOLYBDENUM TRIAMIDOAMINE COMPLEXES; FINDING SADDLE-POINTS;
CATALYTIC-REDUCTION; DINITROGEN; AMMONIA; MECHANISM; RELEVANT
AB Abiological NH3 synthesis under mild conditions on a PNP [=2,6-bis(di-tert-butyl-phosphinomethyl)pyridine] pincer chelating an Mo(N-2)(3) group has been reported and attributed to a catalytic cycle wherein only the equatorial N-2 is reduced. The present calculations suggest that reduction of axial N-2 ligands was the reason the cycle ended after production of 23 equiv. of NH3. NH3 detachment from axial NNH3 initiates a terminal reaction pathway by leaving an axial nitrido N behind on the Mo. The transinfluence of the strong axial nitride bond causes the second axial N-2 to detach from the Mo, with N-Mo-N-2 remaining as a non-catalytic, pincer-chelated group.
C1 Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Feibelman, PJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM pjfeibe@sandia.gov
FU Office of Electricity Delivery and Energy Reliability; Office of Basic
Energy Sciences, Division of Materials Science, and Engineering of the
U.S. Department of Energy; U.S. Department of Energy's National Nuclear
Security Administration [DE-AC04-94AL85000]
FX This work was supported by the Office of Electricity Delivery and Energy
Reliability, and by the Office of Basic Energy Sciences, Division of
Materials Science, and Engineering of the U.S. Department of Energy.
Sandia National Laboratories is a multi-program laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U.S. Department of Energy's National Nuclear
Security Administration under contract DE-AC04-94AL85000.
NR 16
TC 0
Z9 0
U1 1
U2 8
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
SN 0260-3594
EI 1548-9574
J9 COMMENT INORG CHEM
JI Comments Inorganic Chem.
PY 2014
VL 34
IS 1-2
BP 3
EP 16
DI 10.1080/02603594.2014.896348
PG 14
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA AR8LI
UT WOS:000343826300002
ER
PT J
AU Yang, GD
Liu, F
Wang, L
Wang, WT
Wang, D
Jiang, CS
Al-Jassim, MM
AF Yang, G. D.
Liu, F.
Wang, L.
Wang, W. T.
Wang, D.
Jiang, C. -S.
Al-Jassim, M. M.
TI Selective deposition of nanocrystalline carbon films on GaN diodes in
photocatalytic reactions
SO CRYSTENGCOMM
LA English
DT Article
ID DIAMOND-LIKE CARBON; AQUEOUS-SOLUTION; TRIBOLOGICAL PROPERTIES;
HYDROGEN-PEROXIDE; AMORPHOUS-CARBON; GROWTH-MECHANISM; DLC FILMS;
ELECTRODEPOSITION; DISCHARGE; ANODE
AB Crystalline carbon films are promising in many applications. However, traditional carbon film deposition methods are limited by involving ultra-high voltage or complicated equipment. In this study, we demonstrate a simple photocatalytic approach to crystalline carbon fabrication. The crystalline carbon is selectively deposited on the anode side of a GaN diode chip immersed in a mixture of CH3OH and H2O2 with sunlight as the only energy source. Diamond and flat hexagonal crystallites are observed by scanning electron microscopy (SEM). Energy-dispersive X-ray (EDX), Raman and Fourier transform infrared (FTIR) spectra further confirm that diamond and graphite crystallites were successfully prepared. Detailed theoretical analysis shows that both H2O2 and photon-generated holes play important roles in the crystalline carbon formation. Compared to traditional approaches, the new approach is easy to realize at low cost, has deposition selectivity at the anode side, and requires no strong electric fields. Thus, our approach is novel and promising for preparing crystalline carbon.
C1 [Yang, G. D.; Liu, F.; Wang, L.; Wang, W. T.] Univ Hong Kong, Dept Mech Engn, Hong Kong, Hong Kong, Peoples R China.
[Wang, D.] Peking Univ, Coll Engn, Beijing 100871, Peoples R China.
[Jiang, C. -S.; Al-Jassim, M. M.] Natl Ctr Photovolta, Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Yang, GD (reprint author), Univ Hong Kong, Dept Mech Engn, Pokfulam Rd, Hong Kong, Hong Kong, Peoples R China.
EM fordliu@hku.hk
RI jiang, chun-sheng/F-7839-2012
FU Seed Funding Programme for Basic Research at HKU [201211159091]; HKU
Initiative on Clean Energy & Environment (HKU-ICEE); University
Development Fund (UDF)
FX The authors acknowledge the financial support of the Seed Funding
Programme for Basic Research at HKU (project code 201211159091), the HKU
Initiative on Clean Energy & Environment (HKU-ICEE), and the University
Development Fund (UDF) 2009-2010 (second round). Also, great thanks go
to Yubo Wang of HKU for helping with Raman testing.
NR 27
TC 1
Z9 1
U1 1
U2 12
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1466-8033
J9 CRYSTENGCOMM
JI Crystengcomm
PY 2014
VL 16
IS 43
BP 10097
EP 10102
DI 10.1039/c4ce01431f
PG 6
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA AR9AC
UT WOS:000343861900018
ER
PT S
AU Bernacki, BE
Evans, A
Tang, E
AF Bernacki, Bruce E.
Evans, Allan
Tang, Edward
BE Desjardins, DD
Sarma, KR
Marasco, PL
Havig, PR
Browne, MP
Melzer, JE
TI Virtual reality 3D headset based on DMD light modulators
SO DISPLAY TECHNOLOGIES AND APPLICATIONS FOR DEFENSE, SECURITY, AND
AVIONICS VIII; AND HEAD- AND HELMET-MOUNTED DISPLAYS XIX
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Display Technologies and Applications for Defense,
Security, and Avionics VIII
CY MAY 07-08, 2014
CL Baltimore, MA
SP SPIE
DE head mounted display; virtual reality device; digital micromirror device
AB We present the design of an immersion-type 3D headset suitable for virtual reality applications based upon digital micro-mirror devices (DMD). Current methods for presenting information for virtual reality are focused on either polarization-based modulators such as liquid crystal on silicon (LCoS) devices, or miniature LCD or LED displays often using lenses to place the image at infinity. LCoS modulators are an area of active research and development, and reduce the amount of viewing light by 50% due to the use of polarization. Viewable LCD or LED screens may suffer low resolution, cause eye fatigue, and exhibit a "screen door" or pixelation effect due to the low pixel fill factor. Our approach leverages a mature technology based on silicon micro mirrors delivering 720p resolution displays in a small form-factor with high fill factor. Supporting chip sets allow rapid integration of these devices into wearable displays with high-definition resolution and low power consumption, and many of the design methods developed for DMD projector applications can be adapted to display use. Potential applications include night driving with natural depth perception, piloting of UAVs, fusion of multiple sensors for pilots, training, vision diagnostics and consumer gaming. Our design concept is described in which light from the DMD is imaged to infinity and the user's own eye lens forms a real image on the user's retina resulting in a virtual retinal display.
C1 [Bernacki, Bruce E.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Bernacki, BE (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA.
EM bruce.bernacki@pnnl.gov
NR 11
TC 0
Z9 0
U1 2
U2 6
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-023-5
J9 PROC SPIE
PY 2014
VL 9086
AR 90860R
DI 10.1117/12.2053789
PG 7
WC Engineering, Electrical & Electronic; Optics
SC Engineering; Optics
GA BB5GU
UT WOS:000343864900015
ER
PT S
AU Pallin, S
Kehrer, M
AF Pallin, Simon
Kehrer, Manfred
BE Delgado, JMPQ
TI Risk of Condensation in Mechanically Attached Roof Systems in Cold US
Climate Zones
SO DRYING AND WETTING OF BUILDING MATERIALS AND COMPONENTS
SE Building Pathology and Rehabilitation
LA English
DT Article; Book Chapter
DE Condensation; Overcooling; Hygrothermal simulation; Long-wave radiation;
WUFI; Moisture accumulation
AB Flat roofs have generally a high potential of nightly overcooling and therefore an increased risk of condensation within the construction, particularly in cold climate zones, depending on their specific assembly. A white exterior surface, so-called "cool roof", applied to decrease cooling loads and to save energy, increases the condensation risk due to lower energy gains at day time. The nightly overcooling phenomena will be intensified and leads to much lower temperature at the exterior surface compared to a standard roof. Observations (Energy Design Update (R) 2006) show that the increased condensation risk may lead to moisture damage. There have been questions raised about the sustainability of using cool roof membranes in Northern US climate zones due to the potential of moisture accumulation below the membrane. Transient hygrothermal simulation using real climate data are state of the art today and can help to study different effects. Variations of several input parameter, such as short-wave absorptivity of the solar radiation, ventilation underneath the membrane with interior or exterior air, specific climate data, etc., show their influences on the moisture accumulation underneath the membrane of a typical mechanically attached roof systems for commercial buildings. Consequently, the most significant input parameter can be determined and used as additional criteria for a better design.
C1 [Pallin, Simon] Chalmers, Chalmers, Sweden.
[Kehrer, Manfred] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Pallin, S (reprint author), Chalmers, Chalmers, Sweden.
EM simon.pallin@chalmers.se; kehrerm@ornl.gov
OI Pallin, Simon/0000-0001-7197-6746
NR 22
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 2194-9832
BN 978-3-319-04531-3; 978-3-319-04530-6
J9 BUILD PATHOL REHABIL
PY 2014
VL 4
BP 197
EP 215
DI 10.1007/978-3-319-04531-3_9
D2 10.1007/978-3-319-04531-3
PG 19
WC Thermodynamics; Construction & Building Technology
SC Thermodynamics; Construction & Building Technology
GA BB4PK
UT WOS:000343290600009
ER
PT S
AU Ramayya, AV
Hamilton, JH
Goodin, CJ
Brewer, NT
Hwang, JK
Luo, YX
Liu, SH
Rasmussen, JO
Lee, IY
Stone, NJ
Daniel, AV
Zhu, J
AF Ramayya, A. V.
Hamilton, J. H.
Goodin, C. J.
Brewer, N. T.
Hwang, J. K.
Luo, Y. X.
Liu, S. H.
Rasmussen, J. O.
Lee, I. Y.
Stone, N. J.
Daniel, A. V.
Zhu, J.
BE Muralithar, S
TI Structures of the neutron-rich nuclei observed in fission of Cf-252
SO FRONTIERS IN GAMMA-RAY SPECTROSCOPY 2012 - FIG12
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT International Conference on Frontiers in Gamma-Ray Spectroscopy (FIG12)
CY MAR 05-07, 2012
CL Inter Univ Accelerator Ctr, New Delhi, INDIA
SP Govt India, Univ Grants Commiss, Govt India, Dept Sci & Technol, Govt India, Board Res Nucl Sci, Govt India, Council Sci & Ind Res
HO Inter Univ Accelerator Ctr
DE Neutron-rich nuclei; Angular correlations; High spin level schemes
ID STATES; ISOTOPES; ARRAYS
AB Analysis of high statistics triple coincidence fission gamma data from Cf-252 at Gammasphere including angular correlations yielded well-expanded high-spin level schemes with more complete and reliable spin/parity assignments for Ge-82, Cd-118,Cd-120,Cd-122 and Rh-114,Rh-115. Both the quasi-particle/hole couplings and quasi-rotational degrees of freedom are implied to play roles in these Cd isotopes. Evidence for triaxial shapes and octupole components in the Cd isotopes is presented. These Cd isotopes may have triaxial deformations. High-spin level schemes of Rh-114,Rh-115 have been established for the first time. The existence of a relatively large signature splitting and an yrare band shows typical features of a triaxially deformed nucleus. Possible excited deformed rotational bands are observed, for the first time, in Ge-82. From the multipole mixing ratio measurement, the ground state configurations of Ru-109,Ru-111, as well as excited states in Mo-103,Mo-107 and Ru-111 were determined.
C1 [Ramayya, A. V.; Hamilton, J. H.; Goodin, C. J.; Brewer, N. T.; Hwang, J. K.; Luo, Y. X.; Liu, S. H.] Vanderbilt Univ, Dept Phys, Nashville, TN 37235 USA.
[Luo, Y. X.; Rasmussen, J. O.; Lee, I. Y.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Liu, S. H.] UNRIB Oak Ridge Associated Univ, Oak Ridge, TN 37831 USA.
[Stone, N. J.] Univ Oxford, Dept Phys, Oxford OX1 3PU, England.
[Daniel, A. V.] Flerov Lab Nucl React, JINR, Dubna, Russia.
[Zhu, J.] Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China.
RP Ramayya, AV (reprint author), Vanderbilt Univ, Dept Phys, Nashville, TN 37235 USA.
OI Hwang, Jae-Kwang/0000-0002-4100-3473
FU U. S. Department of Energy [DE- FG05- 88ER40407, DE- AC03- 76SF00098];
National Natural Science Foundation of China [10975082, 11175095];
Special Program of Higher Education Science Foundation [2010000211007]
FX The work at Vanderbilt University, Lawrence Berkeley National
Laboratory, are supported, respectively, by U. S. Department of Energy
under Grant and Contract No. DE- FG05- 88ER40407, and DE- AC03-
76SF00098. The work at Tsinghua University was supported by the National
Natural Science Foundation of China under Grant No. 10975082, 11175095,
the Special Program of Higher Education Science Foundation under Grant
No. 2010000211007.
NR 21
TC 0
Z9 0
U1 1
U2 1
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1245-3
J9 AIP CONF PROC
PY 2014
VL 1609
BP 113
EP 124
DI 10.1063/1.4893263
PG 12
WC Physics, Applied; Spectroscopy
SC Physics; Spectroscopy
GA BB5DY
UT WOS:000343716600020
ER
PT S
AU Wiedeking, M
Bernstein, LA
Krticka, M
Bleuel, DL
Allmond, JM
Basunia, MS
Burke, JT
Fallon, P
Firestone, RB
Goldblum, BL
Hatarik, R
Lake, PT
Lee, IY
Lesher, SR
Paschalis, S
Petri, M
Phair, L
Scielzo, ND
AF Wiedeking, M.
Bernstein, L. A.
Krticka, M.
Bleuel, D. L.
Allmond, J. M.
Basunia, M. S.
Burke, J. T.
Fallon, P.
Firestone, R. B.
Goldblum, B. L.
Hatarik, R.
Lake, P. T.
Lee, I-Y.
Lesher, S. R.
Paschalis, S.
Petri, M.
Phair, L.
Scielzo, N. D.
BE Muralithar, S
TI Photon strength and the low-energy enhancement
SO FRONTIERS IN GAMMA-RAY SPECTROSCOPY 2012 - FIG12
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT International Conference on Frontiers in Gamma-Ray Spectroscopy (FIG12)
CY MAR 05-07, 2012
CL Inter Univ Accelerator Ctr, New Delhi, INDIA
SP Govt India, Univ Grants Commiss, Govt India, Dept Sci & Technol, Govt India, Board Res Nucl Sci, Govt India, Council Sci & Ind Res
HO Inter Univ Accelerator Ctr
DE Photon Strength Function
ID CLOVER; DETECTORS; FACILITY
AB Several measurements in medium mass nuclei have reported a low-energy enhancement in the photon strength function. Although, much effort has been invested in unraveling the mysteries of this effect, its physical origin is still not conclusively understood. Here, a completely model-independent experimental approach to investigate the existence of this enhancement is presented. The experiment was designed to study statistical feeding from the quasi-continuum (below the neutron separation energy) to individual low-lying discrete levels in Mo-95 produced in the (d, p) reaction. A key aspect to successfully study gamma decay from the region of high-level density is the detection and extraction of correlated particle-gamma-gamma events which was accomplished using an array of Clover HPGe detectors and large area annular silicon detectors. The entrance channel excitation energy into the residual nucleus produced in the reaction was inferred from the detected proton energies in the silicon detectors. Gating on gamma-transitions originating from low-lying discrete levels specifies the state fed by statistical gamma-rays. Any particle-gamma-gamma event in combination with specific energy sum requirements ensures a clean and unambiguous determination of the initial and final state of the observed gamma rays. With these requirements the statistical feeding to individual discrete levels is extracted on an event-by-event basis. The results are presented and compared to Mo-95 photon strength function data measured at the University of Oslo.
C1 [Wiedeking, M.] IThemba LABS, POB 722, ZA-7129 Somerset West, South Africa.
[Krticka, M.] Charles Univ Prague, Fac Math & Phys, Prague 8, Czech Republic.
[Allmond, J. M.] Univ Richmond, Dept Phys, Richmond, VA 23173 USA.
[Basunia, M. S.; Fallon, P.; Firestone, R. B.; Lake, P. T.; Lee, I-Y.; Paschalis, S.; Petri, M.; Phair, L.] Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA.
[Goldblum, B. L.] Univ Calif, Dept Nucl Engn, Berkeley, CA 94720 USA.
[Bernstein, L. A.; Bleuel, D. L.; Burke, J. T.; Hatarik, R.; Lesher, S. R.; Scielzo, N. D.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94551 USA.
RP Wiedeking, M (reprint author), IThemba LABS, POB 722, ZA-7129 Somerset West, South Africa.
RI Burke, Jason/I-4580-2012; Paschalis, Stefanos/H-8758-2016; Petri,
Marina/H-4630-2016
OI Paschalis, Stefanos/0000-0002-9113-3778; Petri,
Marina/0000-0002-3740-6106
FU U. S. Department of Energy Lawrence Livermore National Laboratory
[DEAC52- 07NA27344]; University of Richmond [DE- FG52- 06NA26206, DE-
FG02- 05ER41379]; U. S. Department of Energy [DE- AC02- 05CH11231];
National Research Foundation of South Africa; Ministry of Education of
the Czech Republic [MSM 0021620859]
FX The authors thank the operations staff at the 88- Inch Cyclotron of
Lawrence Berkeley National Laboratory for a smooth run. This work is
performed under the auspices of the U. S. Department of Energy Lawrence
Livermore National Laboratory under contract DEAC52- 07NA27344 and
University of Richmond under DE- FG52- 06NA26206 and DE- FG02-
05ER41379. For Lawrence Berkeley National Laboratory this work was
supported by the Director, Office of Science, Office of Nuclear Physics,
of the U. S. Department of Energy under Contract No. DE- AC02-
05CH11231. MW acknowledges support from the National Research Foundation
of South Africa and MK from the research plan MSM 0021620859 of the
Ministry of Education of the Czech Republic.
NR 31
TC 0
Z9 0
U1 0
U2 6
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1245-3
J9 AIP CONF PROC
PY 2014
VL 1609
BP 161
EP 166
DI 10.1063/1.4893270
PG 6
WC Physics, Applied; Spectroscopy
SC Physics; Spectroscopy
GA BB5DY
UT WOS:000343716600027
ER
PT J
AU Hu, LB
Xue, Z
Amine, K
Zhang, ZC
AF Hu, Libo
Xue, Zheng
Amine, Khalil
Zhang, Zhengcheng
TI Fluorinated Electrolytes for 5-V Li-Ion Chemistry: Synthesis and
Evaluation of an Additive for High-Voltage LiNi0.5Mn1.5O4/Graphite Cell
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID CARBONATE-BASED ELECTROLYTES; SULFONE-BASED ELECTROLYTES;
ELEVATED-TEMPERATURE; BATTERIES; PERFORMANCE; PROGRESS
AB A fluorinated carbonate compound was identified as an electrolyte additive capable of stabilizing the new fluorinated electrolyte/electrode interphase in a high-voltage spinel LiNi0.5Mn1.5O4/graphite cell. The synthesis and characterization of the additive are described, and the electrochemical performance and post-analysis using scanning electron microscopy and energy dispersive Xray spectrometry revealed that this additive actively participates in passivation formation on the graphite anode, making it an effective additive for enabling all-fluorinated electrolytes supporting reversible Li+ intercalation chemistry in a LiNi0.5Mn1.5O4/graphite cell at elevated temperature. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Hu, Libo; Xue, Zheng; Amine, Khalil; Zhang, Zhengcheng] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Hu, LB (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM zzhang@anl.gov
FU U.S. Department of Energy, Vehicle Technologies Office; U.S. Department
of Energy by UChicago Argonne, LLC [DE-AC02-06CH11357]
FX This research is supported by the U.S. Department of Energy, Vehicle
Technologies Office. Argonne National Laboratory is operated for the
U.S. Department of Energy by UChicago Argonne, LLC, under contract
DE-AC02-06CH11357. We thank the CAMP facility of Argonne's Chemical
Sciences and Engineering Division for providing the electrode materials.
The electron microscopy was accomplished at the Electron Microscopy
Center at Argonne National Laboratory.
NR 23
TC 20
Z9 22
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 2014
VL 161
IS 12
BP A1777
EP A1781
DI 10.1149/2.0141412jes
PG 5
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AR8BL
UT WOS:000343800400004
ER
PT J
AU Su, L
Ferrandon, M
Kowalski, JA
Vaughey, JT
Brushett, FR
AF Su, Liang
Ferrandon, Magali
Kowalski, Jeffrey A.
Vaughey, John T.
Brushett, Fikile R.
TI Electrolyte Development for Non-Aqueous Redox Flow Batteries Using a
High-Throughput Screening Platform
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID LITHIUM-ION BATTERIES; RESEARCH-AND-DEVELOPMENT; ETHYL METHYL CARBONATE;
PC-EC SOLUTIONS; OVERCHARGE PROTECTION; ENERGY-STORAGE; SOLVENT
ELECTROLYTES; MIXED-SOLVENT; CELLS; COMBINATORIAL
AB Though 2,5-di-tert-butyl-1,4-bis(2-methoxyethoxy) benzene (DBBB) is a promising active species for non-aqueous redox flow batteries, the development and optimization of suitable electrolytes is still required to realize this potential. Given the breadth and diversity of non-aqueous electrolytes, combinatorial screening using automated platforms offers an efficient means of mapping out the design space. Employing an automated electrolyte synthesis and characterization system, we studied electrolytes consisting of DBBB, various alkali ion salts, and carbonate solvents, with an overarching goal of improving DBBB solubility and ionic conductivity. Via this high-throughput approach, mixtures of linear and cyclic carbonates were found to improve solubility and conductivity including certain mixtures that demonstrated both improved DBBB solubility (>0.5 M) and electrolyte conductivity (>5 mS/cm), over the base case scenario. In general, the addition of LiTFSI as a salt (or co-salt) improved DBBB solubility in electrolytes and the ionic conductivity of solutions. Furthermore, the electrochemical behavior of DBBB was systematically investigated over a range of concentrations (0.005 M to 0.3 M) in an optimized electrolyte using both macroelectrode and ultramicroelectrode techniques. Determining the trends of key electrochemical parameters may help bridge the gap between low concentration screening experiments and higher concentration energy storage applications. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Su, Liang; Ferrandon, Magali; Kowalski, Jeffrey A.; Vaughey, John T.; Brushett, Fikile R.] Argonne Natl Lab, Argonne, IL 60439 USA.
[Su, Liang; Kowalski, Jeffrey A.; Brushett, Fikile R.] MIT, Dept Chem Engn, Cambridge, MA 02139 USA.
[Ferrandon, Magali; Vaughey, John T.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Su, L (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM ferrandon@anl.gov; brushett@mit.edu
OI Vaughey, John/0000-0002-2556-6129
FU Joint Center for Energy Storage Research, an Energy Innovation Hub -
U.S. Department of Energy, Office of Science, Basic Energy Sciences;
U.S. Department of Energy Office of Science Laboratory
[DE-AC02-06CH11357]; DOE-EERE Office of Vehicle Technologies; Director's
Postdoctoral Fellowship
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. DBBB, also referred to as ANL-RS2, was synthesized by
Krzysztof Pupek and Trevor Dzwiniel at Argonne's Materials Engineering
Research Facility and was funded by DOE-EERE Office of Vehicle
Technologies. F. R. B. was supported by a Director's Postdoctoral
Fellowship. The authors thank Kyler Carroll (MIT), Emily Carino (MIT),
Andrew Jansen (ANL), and Jun Chen (ANL) for stimulating discussions.
NR 44
TC 14
Z9 14
U1 5
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 2014
VL 161
IS 12
BP A1905
EP A1914
DI 10.1149/2.0811412jes
PG 10
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AR8BL
UT WOS:000343800400021
ER
PT J
AU Tang, ZJ
Lawton, JS
Sun, CN
Chen, JH
Bright, MI
Jones, AM
Papandrew, AB
Fujimoto, CH
Zawodzinski, TA
AF Tang, Zhijiang
Lawton, Jamie S.
Sun, Che-Nan
Chen, Jihua
Bright, Michael I.
Jones, Amanda M.
Papandrew, Alex B.
Fujimoto, Cy H.
Zawodzinski, Thomas A.
TI Characterization of Sulfonated Diels-Alder Poly(phenylene) Membranes for
Electrolyte Separators in Vanadium Redox Flow Batteries
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID NAFION PERFLUOROSULFONIC MEMBRANES; PROTON-EXCHANGE MEMBRANES;
SULFURIC-ACID; TRANSPORT; WATER; CONDUCTIVITY; POLYMERS; PERFORMANCE;
IONOMERS; ENERGY
AB Sulfonated Diels-Alder poly(phenylene) (SDAPP) membranes were synthesized and characterized as potential electrolyte separators for vanadium redox flow batteries. The SDAPP membranes studied had ion exchange capacities of 1.4, 1.8 and 2.3 meq/g. Transmission electron microscopy imaging shows that the ionic domains in SDAPP are roughly 0.5 nm in dimension, while Nafion has a hydrophilic phase width of around 5 nm. The sulfuric acid uptake by SDAPP was higher than that for Nafion, but the materials had similar water uptake from solutions of various sulfuric acid concentrations. In equilibration with sulfuric acid concentrations ranging from 0-17.4 mol . kg(-1), SDAPP with a IEC of 2.3 meq/g had the highest conductivity, ranging from 0.21 to 0.05 S . cm(-1), while SDAPP with a IEC of 1.8 had conductivity close to Nafion 117, ranging from 0.11 to 0.02 S . cm(-1). With varying sulfuric acid concentration and temperature, vanadium permeability in SDAPP is positively correlated to the membrane's IEC. The vanadium permeability of SDAPP 2.3 is similar to that of Nafion, but permeability values for SDAPP 1.8 and SDAPP 1.4 are substantially lower. The vanadium permeation decreases with increasing electrolyte sulfuric acid concentration. Vanadium diffusion activation energy is about 20 kJ . mol(-1) in both SDAPP and Nafion. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Tang, Zhijiang; Lawton, Jamie S.; Bright, Michael I.; Jones, Amanda M.; Papandrew, Alex B.; Zawodzinski, Thomas A.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
[Sun, Che-Nan; Zawodzinski, Thomas A.] Oak Ridge Natl Lab, Phys Chem Mat Grp, Oak Ridge, TN 37831 USA.
[Chen, Jihua] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Fujimoto, Cy H.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Zawodzinski, Thomas A.] King Abdulaziz Univ, Dept Chem, Jeddah 21413, Saudi Arabia.
RP Tang, ZJ (reprint author), Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
EM tzawodzi@utk.edu
RI Chen, Jihua/F-1417-2011
OI Chen, Jihua/0000-0001-6879-5936
FU Department of Chemical and Biomolecular Engineering, the University of
Tennessee; Physical Chemistry of Materials Group, Oak Ridge National
Laboratory; U.S. Department of Energy's National Nuclear Security
Administration [DE-AC04-94AL85000]; Oak Ridge National Laboratory by the
Division of Scientific User Facilities, Office of Basic Energy Sciences,
U.S. Department of Energy
FX This work is largely supported by the Department of Chemical and
Biomolecular Engineering, the University of Tennessee, and Physical
Chemistry of Materials Group, Oak Ridge National Laboratory. We
gratefully acknowledge the U.S. Department of Energy, Office of
Electricity Delivery and Energy Reliability (Dr. Imre Gyuk, Energy
Storage Program). 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-AC04-94AL85000. A
portion of this research was conducted at the Center for Nanophase
Materials Sciences, which is sponsored at Oak Ridge National Laboratory
by the Division of Scientific User Facilities, Office of Basic Energy
Sciences, U.S. Department of Energy.
NR 46
TC 7
Z9 7
U1 8
U2 36
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 2014
VL 161
IS 12
BP A1860
EP A1868
DI 10.1149/2.0631412jes
PG 9
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AR8BL
UT WOS:000343800400015
ER
PT J
AU Whiteley, JM
Woo, JH
Hu, EY
Nam, KW
Lee, SH
AF Whiteley, Justin M.
Woo, Jae H.
Hu, Enyuan
Nam, Kyung-Wan
Lee, Se-Hee
TI Empowering the Lithium Metal Battery through a Silicon-Based Superionic
Conductor
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID SOLID-ELECTROLYTE; THIO-LISICON; SULFUR BATTERIES; ION BATTERIES;
GLASSES; SYSTEM; LI10GEP2S12; STABILITY; SULFIDE; SAFETY
AB Replacing the liquid electrolyte in a lithium battery with a solid electrolyte can resolve many inherent safety issues as well as enable the use of next generation electrode materials. Recent research in solid electrolytes, however, has mainly focused on improving ionic conductivity while neglecting compatibility with energy dense anodes such as lithium metal. Herein, we report a new crystalline solid electrolyte devised to be inexpensive, highly conductive, and compatible with lithium metal. This study presents and characterizes an analog to Li10GeP2S12 using the isovalent ion of silicon to displace germanium as a cost effective constituent. The crystal Li10SiP2S12 displays a conductivity of 2.3 x 10(-3) S cm(-1), the highest reported conductivity for an unsintered silicon-based solid electrolyte. Impedance spectroscopy is used to probe interactions between the new superionic conductor and lithium metal revealing a more favorable decomposition than previous metal containing electrolytes. Due to the enhanced compatibility of Li10SiP2S12 with lithium metal, we present one of the longest cycling bulk solid-state lithium metal batteries to date. Discerning the nature of chemical decomposition at the electrolyte-lithium interface is essential to the design and synthesis of future solid electrolytes. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Whiteley, Justin M.; Woo, Jae H.; Lee, Se-Hee] Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA.
[Hu, Enyuan] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
[Nam, Kyung-Wan] Dongguk Univ, Dept Energy & Mat Engn, Seoul 100715, South Korea.
RP Whiteley, JM (reprint author), Univ Colorado, Dept Mech Engn, Boulder, CO 80309 USA.
EM sehee.lee@colorado.edu
RI Lee, Sehee/A-5989-2011; Hu, Enyuan/D-7492-2016
OI Hu, Enyuan/0000-0002-1881-4534
FU National Science Foundation (NSF) [CHE-1231048]; U.S. Department of
Energy [DE-AC02-98CH10886]
FX This work was supported by the National Science Foundation (NSF,
CHE-1231048). The work done at Brookhaven National Laboratory was
supported by the U.S. Department of Energy, the Assistant Secretary for
Energy Efficiency and Renewable Energy, Office of Vehicle Technologies
under Contract Number DE-AC02-98CH10886.
NR 31
TC 20
Z9 20
U1 15
U2 89
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 2014
VL 161
IS 12
BP A1812
EP A1817
DI 10.1149/2.0501412jes
PG 6
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AR8BL
UT WOS:000343800400009
ER
PT J
AU Wu, SL
Javier, AE
Devaux, D
Balsara, NP
Srinivasan, V
AF Wu, Shao-Ling
Javier, Anna E.
Devaux, Didier
Balsara, Nitash P.
Srinivasan, Venkat
TI Discharge Characteristics of Lithium Battery Electrodes with a
Semiconducting Polymer Studied by Continuum Modeling and Experiment
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID BLOCK-COPOLYMER ELECTROLYTES; DOMINO-CASCADE MODEL; MOLECULAR-WEIGHT;
INSERTION CELL; LIFEPO4/FEPO4; EXISTENCE
AB Conducting polymers such as poly(3-hexylthiophene) (P3HT) can be used to convey electronic charge in battery electrodes. The electronic conductivity of P3HT (and other electronically conducting polymers) is potential-dependent. The main advance in this work is to quantify the effect of this potential dependency on battery performance. The discharge characteristics of a battery consisting of a cathode with LiFePO4 particles in a poly(3-hexylthiophene)-b-poly(ethylene oxide) (P3HT-PEO) copolymer matrix that conveys electrons and ions to the active particles, a polystyrene-b-poly(ethylene oxide) (PS-PEO) copolymer electrolyte layer, and a lithium metal anode were examined by experiments and macro-homogeneous modeling; lithium bis (trifluoromethanesulfonyl) imide was the salt in the cathode and the electrolyte. By comparing the model predictions with experiments, we conclude that the electronic conductivity of the polymer in the cathode is significantly lower than that obtained from measurements in the absence of active particles. The potential-dependent conductivity is manifested in the shape of the discharge curve wherein the slope increases continuously with capacity. The model provides insight into the underpinnings of the observed rate-dependency of electrode capacity, thereby guiding the design of the next generation of electrodes. (C) The Author(s) 2014. Published by ECS. All rights reserved.
C1 [Wu, Shao-Ling; Javier, Anna E.; Devaux, Didier; Balsara, Nitash P.; Srinivasan, Venkat] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Wu, Shao-Ling; Javier, Anna E.; Balsara, Nitash P.; Srinivasan, Venkat] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, JCESR, Berkeley, CA 94720 USA.
[Devaux, Didier; Balsara, Nitash P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA.
[Balsara, Nitash P.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.
RP Wu, SL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
EM vsrinivasan@lbl.gov
FU Joint Center for Energy Storage Research, an Energy Innovation Hub -
U.S. Department of Energy (DOE), Office of Science, Basic Energy
Sciences (BES)
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 (DOE), Office of Science, Basic Energy Sciences (BES).
NR 27
TC 2
Z9 2
U1 8
U2 29
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 2014
VL 161
IS 12
BP A1836
EP A1843
DI 10.1149/2.0261412jes
PG 8
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AR8BL
UT WOS:000343800400012
ER
PT J
AU Choi, B
Langlois, DA
Mack, N
Johnston, CM
Kim, YS
AF Choi, Baeck
Langlois, David A.
Mack, Nate
Johnston, Christina M.
Kim, Yu Seung
TI The Effect of Cathode Structures on Nafion Membrane Durability
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID ELECTROLYTE FUEL-CELLS; PROTON-EXCHANGE MEMBRANES; PERFLUORINATED
IONOMER; DEGRADATION; CRACKS; LAYER; PERFORMANCE; INTERFACE; CATALYSTS;
PEMFCS
AB The effect of cathode structures on the chemical stability of Nafion membranes is investigated. Membrane electrode assemblies (MEAs) were prepared by using Nafion 212 membrane and commercially available carbon supported Pt electro-catalysts. The cathode structures were controlled by the use of long side chain (LSC) and short side chain (SSC) perfluorosulfonic acids (PFSAs) as well as three dispersing solvents for the electrode fabrication (a water-isopropanol mixture, N-methyl-2-pyrrolidone, or glycerol). The membrane durability was evaluated by the H-2 crossover current density after a 200-hour open circuit voltage accelerated stress test. The MEA with a glycerol-processed SSC PFSA-bonded cathode exhibited a 200-fold less H-2 crossover current density than the MEA with a water-isopropanol-processed LSC PFSA-bonded cathodes. The analyzes by electrochemical impedance spectroscopy and microscopy suggest that the structural uniformity of cathodes play the most significant role in the chemical stability of the Nafion membranes. This study emphasizes the importance of cathode structures on the durability of Nafion membranes. (C) The Author(s) 2014. Published by ECS. This is an open access article distributed under the terms of the Creative Commons Attribution 4.0 License (CC BY, http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse of the work in any medium, provided the original work is properly cited. All rights reserved.
C1 [Choi, Baeck; Langlois, David A.; Mack, Nate; Johnston, Christina M.; Kim, Yu Seung] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Choi, B (reprint author), Univ Florida, Dept Chem Engn, 1006 Ctr Dr, Gainesville, FL 32603 USA.
EM yskim@lanl.gov
RI Choi, Baeck/O-1737-2016
FU US DOE
FX The authors thank Dr. R. Mukundan and R. Borup for useful discussions.
We would also like to thank the US DOE Fuel Cell Technologies Program,
Technology Development Manager Dr. Nancy Garland, for financial support.
NR 40
TC 5
Z9 5
U1 3
U2 19
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 2014
VL 161
IS 12
BP F1154
EP F1162
DI 10.1149/2.0151412jes
PG 9
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AR8BL
UT WOS:000343800400065
ER
PT J
AU Diercks, DR
Musselman, M
Morgenstern, A
Wilson, T
Kumar, M
Smith, K
Kawase, M
Gorman, BP
Eberhart, M
Packard, CE
AF Diercks, David R.
Musselman, Matthew
Morgenstern, Amanda
Wilson, Timothy
Kumar, Mukesh
Smith, Kandler
Kawase, Makoto
Gorman, Brian P.
Eberhart, Mark
Packard, Corinne E.
TI Evidence for Anisotropic Mechanical Behavior and Nanoscale Chemical
Heterogeneity in Cycled LiCoO2
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID POLYCRYSTALLINE LICOO2; ELECTRODE PARTICLES; CATHODE MATERIAL; ENERGY
DENSITY; INDUCED STRESS; LIXCOO2; MODEL; BOND; INTERCALATION;
INTEGRATION
AB Commercial lithium-ion battery cells were cycled to various depths of discharge at various rates while the relative capacities were periodically measured. After 1000 cycles, lithium cobalt oxide (LiCoO2) cathode material was extracted from the most severely aged cell. Nanoindentation was performed on individual LiCoO2 particles. Fractures in these particles exhibited anisotropic behavior, which was confirmed by electron microscopy and diffriction examination indicating both intra- and inter-granular fracture occurred along {001} planes. Computation of the charge density structure for LiCoO2 indicated that the Li-O bonds along the {001} planes require the lowest energy for cleavage, supporting the experimental findings. Atom probe tomography (APT) analysis indicated the nanoscale composition distributions within specimens from both fresh and cycled material. Among the cycled particles, nanoscale inhomogeneities in the Li content were observed. For APT specimens containing grain boundaries, accumulation of Li (up to 80 at%) on one side of the boundary was observed. Correlation of the electrochemical, mechanical, and compositional results indicates a combination of these mechanical and chemical mechanisms contributed to the measured capacity fade. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Diercks, David R.; Musselman, Matthew; Kumar, Mukesh; Gorman, Brian P.; Packard, Corinne E.] Colorado Sch Mines, Dept Met & Mat Engn, Golden, CO 80401 USA.
[Morgenstern, Amanda; Wilson, Timothy; Eberhart, Mark] Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA.
[Smith, Kandler; Packard, Corinne E.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Kawase, Makoto] Japan Aerosp Explorat Agcy, Golden, CO 80401 USA.
RP Diercks, DR (reprint author), Colorado Sch Mines, Dept Met & Mat Engn, Golden, CO 80401 USA.
EM ddiercks@mines.edu
RI Packard, Corinne/A-9606-2010
OI Packard, Corinne/0000-0002-5815-8586
FU Renewable Energy Materials Research Science and Engineering Center;
National Science Foundation [DMR-0820518]; NSF [DMR-0820518, 1040456];
Office of Naval Research [N00014-10-1-0838]; U.S. Department of Energy
Vehicles Technology Office; Japan Aerospace Exploration Agency
FX The work performed in this study was principally funded by Seed Grants
from the Renewable Energy Materials Research Science and Engineering
Center, which received its funding from the National Science Foundation,
DMR-0820518. The atom probe used in this research is supported by NSF
Award Number 1040456. M. E. Eberhart thank the Office of Naval Research
for its support of this work under Grant No. N00014-10-1-0838, K. Smith
acknowledges funding provided by the U.S. Department of Energy Vehicles
Technology Office, and M. Kawase acknowledges the Japan Aerospace
Exploration Agency.
NR 45
TC 11
Z9 11
U1 2
U2 26
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 2014
VL 161
IS 11
BP F3039
EP F3045
DI 10.1149/2.0071411jes
PG 7
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AR7UQ
UT WOS:000343785600008
ER
PT J
AU Roberts, SA
Brunini, VE
Long, KN
Grillet, AM
AF Roberts, Scott A.
Brunini, Victor E.
Long, Kevin N.
Grillet, Anne M.
TI A Framework for Three-Dimensional Mesoscale Modeling of Anisotropic
Swelling and Mechanical Deformation in Lithium-Ion Electrodes
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID STRESS EVOLUTION; BATTERY CATHODE; FLUID INTERFACE; CAPACITY FADE;
MICROSTRUCTURE; PARTICLES; LICOO2; RECONSTRUCTION; LIXCOO2;
INTERCALATION
AB Lithium-ion battery electrodes rely on a percolated network of solid particles and binder that must maintain a high electronic conductivity in order to function. Coupled mechanical and electrochemical simulations may be able to elucidate the mechanisms for capacity fade. We present a framework for coupled simulations of electrode mechanics that includes swelling, deformation, and stress generation driven by lithium intercalation. These simulations are performed at the mesoscale, which requires 3D reconstruction of the electrode microstructure from experimental imaging or particle site distributions. We present a novel approach for utilizing these complex reconstructions within a finite element code. A mechanical model that involves anisotropic swelling in response to lithium intercalation drives the deformation. Stresses arise from small-scale particle features and lithium concentration gradients. However, we demonstrate, for the first time, that the largest stresses arise from particle-to-particle contacts, making it important to accurately represent the electrode microstructure on the multi-particle scale. Including anisotropy in the swelling mechanics adds considerably more complexity to the stresses and can significantly enhance peak particle stresses. Shear forces arise at contacts due to the misorientation of the lattice structure. These simulations will be used to study mechanical degradation of the electrode structure through charge/discharge cycles. (C) The Author(s) 2014. Published by ECS. This is an open access article distributed under the terms of the Creative Commons Attribution Non-Commercial No Derivatives 4.0 License (CC BY-NC-ND, http://creativecommons.org/licenses/by-nc-nd/4.0/), which permits non-commercial reuse, distribution, and reproduction in any medium, provided the original work is not changed in any way and is properly cited. For permission for commercial reuse, please email: oa@electrochem.org. All rights reserved.
C1 [Roberts, Scott A.; Brunini, Victor E.; Long, Kevin N.; Grillet, Anne M.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Roberts, SA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM sarober@sandia.gov
RI Roberts, Scott/C-1158-2009
OI Roberts, Scott/0000-0002-4196-6771
FU Sandia's Laboratory Directed Research and Development Program; U.S.
Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]
FX This work was funded as part of Sandia's Laboratory Directed Research
and Development Program. Sandia National Laboratories is a multi-program
laboratory managed and operated by Sandia Corporation, a wholly owned
subsidiary of Lockheed Martin Corporation, for the U.S. Department of
Energy's National Nuclear Security Administration under contract
DE-AC04-94AL85000.
NR 39
TC 14
Z9 14
U1 3
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 2014
VL 161
IS 11
BP F3052
EP F3059
DI 10.1149/2.0081411jes
PG 8
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AR7UQ
UT WOS:000343785600010
ER
PT J
AU Santamaria, AD
Das, PK
MacDonald, JC
Weber, AZ
AF Santamaria, Anthony D.
Das, Prodip K.
MacDonald, James C.
Weber, Adam Z.
TI Liquid-Water Interactions with Gas-Diffusion-Layer Surfaces
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID ELECTROLYTE FUEL-CELLS; PLANE POROSITY DISTRIBUTIONS;
POLYMER-ELECTROLYTE; PEMFC GDLS; CAPILLARY-PRESSURE; DROPLET EMERGENCE;
MICROPOROUS LAYER; POROUS SURFACES; FLOW CHANNEL; TRANSPORT
AB Understanding dynamic liquid-water uptake and removal in gas-diffusion layers (GDLs) is essential to improve the performance of polymer-electrolyte fuel cells and related electrochemical technologies. In this work, GDL properties such as breakthrough pressure, droplet adhesion force, and detachment velocity are measured experimentally for commonly used GDLs under a host of test conditions. Specifically, the effects of GDL hydrophobic (PTFE) content, thickness, and water-injection area and rate were studied to identify trends that may be beneficial to the design of liquid-water management strategies and next-generation GDL materials. The results conclude that liquid water moving transversely through or forming at the surface of GDL may be affected by internal capillary structure. Adhesion-force measurements using a bottom-injection method were found to be sensitive to PTFE loading, GDL thickness, and injection area/rate, the latter of which is critical for defining the control-volume limits for modeling and analysis. It was observed that higher PTFE loadings, increased thickness, and smaller injection areas led to elevated breakthrough pressure; meaning there was a greater resistance to forming droplets. The data are used to predict the onset of droplet instability via a simple force-balance model with general trend agreement. (C) The Author(s) 2014. Published by ECS. This is an open access article distributed under the terms of the Creative Commons Attribution 4.0 License (CC BY, http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse of the work in any medium, provided the original work is properly cited. All rights reserved.
C1 [Santamaria, Anthony D.; MacDonald, James C.; Weber, Adam Z.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Das, Prodip K.] Newcastle Univ, Sch Mech & Syst Engn, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England.
RP Santamaria, AD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
EM azweber@lbl.gov
OI Das, Prodip/0000-0001-9096-3721
FU Fuel Cell Technologies Office, of the U.S. Department of Energy, Energy
Efficiency and Renewable Energy [DE-AC02-05CH11231]
FX The authors acknowledge funding for this work provided by the Fuel Cell
Technologies Office, of the U.S. Department of Energy, Energy Efficiency
and Renewable Energy under contract number DE-AC02-05CH11231. We also
thank the reviewers for providing in-depth comments and discussion.
NR 51
TC 21
Z9 21
U1 3
U2 17
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 2014
VL 161
IS 12
BP F1184
EP F1193
DI 10.1149/2.0321412jes
PG 10
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AR8BL
UT WOS:000343800400069
ER
PT J
AU Wang, JW
Fan, FF
Liu, Y
Jungjohann, KL
Lee, SW
Mao, SX
Liu, XH
Zhu, T
AF Wang, Jiangwei
Fan, Feifei
Liu, Yang
Jungjohann, Katherine L.
Lee, Seung Woo
Mao, Scott X.
Liu, Xiaohua
Zhu, Ting
TI Structural Evolution and Pulverization of Tin Nanoparticles during
Lithiation-Delithiation Cycling
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Article
ID LITHIUM-ION BATTERIES; TRANSMISSION ELECTRON-MICROSCOPY; LI-SECONDARY
BATTERY; SN-C COMPOSITE; ANODE MATERIAL; ELECTROCHEMICAL LITHIATION;
SILICON NANOPARTICLES; NANOWIRES; PERFORMANCE; PARTICLES
AB Pulverization is a major cause of the capacity fade and poor cyclability of Sn-based anodes in lithium-ion batteries. We study the structural evolution of Sn nanoparticles during electrochemical lithiation-delithiation cycling by in situ transmission electron microscopy (TEM). The beta-Sn nanoparticles in the size range of 79-526 nm are lithiated to the crystal Li22Sn5 phase via a two-step mechanism, and no cracking or fracture, is observed, distinct from the lithiation-induced fracture in micron-sized Sn particles. Lithiation can induce the aggregation of small Sn nanoparticles with diameter in tens of nanometers, while delithiation can lead to the pulverization of large Sn nanoparticles. Similarly, the aggregation and pulverization of Sit nanoparticles are also observed daring sodiation and desodiation, respectively. The delithiation/desodiation induced pulverization of Sn nanoparticles is attributed to the high dealloying rate that results in cracks and voids in dealloyed Sn anodes. Based on our in situ TEM results, a size-dependent ' pulverization mechanism of Sn particles is proposed. Our work advances the mechanistic understanding of the pulverization and degradation mechanisms of Sn particle-based electrodes in Li-ion batteries. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Wang, Jiangwei; Mao, Scott X.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA.
[Fan, Feifei; Lee, Seung Woo; Zhu, Ting] Georgia Inst Technol, Woodruff Sch Mech Engn, Atlanta, GA 30332 USA.
[Liu, Yang; Jungjohann, Katherine L.; Liu, Xiaohua] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA.
RP Wang, JW (reprint author), Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA.
EM sxm2@pitt.edu; lxhua99@gmail.com; ting.zhu@me.gatech.edu
RI Zhu, Ting/A-2206-2009; Lee, Seung Woo/B-5820-2013; Wang,
Jiangwei/F-8249-2011
OI Lee, Seung Woo/0000-0002-2695-7105; Wang, Jiangwei/0000-0003-1191-0782
FU NSF [CMMI 1100205, DMR 1410936, CMMI 08010934]; Sandia Corporation
[DE-AC04-94AL85000]
FX T.Z. acknowledges the support by the NSF grants CMMI 1100205 and DMR
1410936. S.X.M. acknowledges the NSF grant CMMI 08010934 through
University of Pittsburgh and Sandia National Lab support. This work was
performed, in part, at the Center for Integrated Nanotechnologies, a US
Department of Energy, Office of Basic Energy Sciences user facility.
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 43
TC 14
Z9 16
U1 9
U2 51
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 2014
VL 161
IS 11
BP F3019
EP F3024
DI 10.1149/2.0041411jes
PG 6
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AR7UQ
UT WOS:000343785600005
ER
PT J
AU Weber, AZ
Borup, RL
Darling, RM
Das, PK
Dursch, TJ
Gu, WB
Harvey, D
Kusoglu, A
Litster, S
Mench, MM
Mukundan, R
Owejan, JP
Pharoah, JG
Secanell, M
Zenyuk, IV
AF Weber, Adam Z.
Borup, Rodney L.
Darling, Robert M.
Das, Prodip K.
Dursch, Thomas J.
Gu, Wenbin
Harvey, David
Kusoglu, Ahmet
Litster, Shawn
Mench, Matthew M.
Mukundan, Rangachary
Owejan, Jon P.
Pharoah, Jon G.
Secanell, Marc
Zenyuk, Iryna V.
TI A Critical Review of Modeling Transport Phenomena in Polymer-Electrolyte
Fuel Cells
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Review
ID PROTON-EXCHANGE-MEMBRANE; GAS-DIFFUSION LAYERS; OXYGEN REDUCTION
REACTION; LIQUID WATER TRANSPORT; CATHODE CATALYST LAYERS;
ELECTROCHEMICAL IMPEDANCE SPECTROSCOPY; COPOLYMER THIN-FILMS; RESOLUTION
NEUTRON-RADIOGRAPHY; LATTICE BOLTZMANN METHOD; RAY COMPUTED-TOMOGRAPHY
AB Polymer-electrolyte fuel cells are a promising energy-conversion technology. Over the last several decades significant progress has been made in increasing their performance and durability, of which continuum-level modeling of the transport processes has played an integral part. In this review, we examine the state-of-the-art modeling approaches, with a goal of elucidating the knowledge gaps and needs going forward in the field. In particular, the focus is on multiphase flow, especially in terms of understanding interactions at interfaces, and catalyst layers with a focus on the impacts of ionomer thin-films and multiscale phenomena. Overall, we highlight where there is consensus in terms of modeling approaches as well as opportunities for further improvement and clarification, including identification of several critical areas for future research. (C) The Author(s) 2014. Published by ECS. This is an open access article distributed under the terms of the Creative Commons Attribution 4.0 License (CC BY, http://creativecommons.org/licenses/by/4.0/),which permits unrestricted reuse of the work in any medium, provided the original work is properly cited. All rights reserved.
C1 [Weber, Adam Z.; Dursch, Thomas J.; Kusoglu, Ahmet; Zenyuk, Iryna V.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Borup, Rodney L.; Mukundan, Rangachary] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Darling, Robert M.] United Technol Res Ctr, E Hartford, CT 06118 USA.
[Das, Prodip K.] Newcastle Univ, Sch Mech & Syst Engn, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England.
[Dursch, Thomas J.] Univ Calif Berkeley, Chem & Biomol Engn Dept, Berkeley, CA 94720 USA.
[Gu, Wenbin] Gen Motors, Fuel Cell Res & Dev, Pontiac, MI 48340 USA.
[Harvey, David] Ballard Power Syst, Burnaby, BC V5J 5J8, Canada.
[Harvey, David; Pharoah, Jon G.] Queens Univ, Fuel Cell Res Ctr, Kingston, ON K7L 3N6, Canada.
[Litster, Shawn] Carnegie Mellon Univ, Dept Mech Engn, Pittsburgh, PA 15213 USA.
[Mench, Matthew M.] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37996 USA.
[Owejan, Jon P.] SUNY Alfred State Coll, Dept Mech Engn Technol, Alfred, NY 14802 USA.
[Secanell, Marc] Univ Alberta, Dept Mech Engn, Edmonton, AB T6G 2G, Canada.
RP Weber, AZ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM azweber@lbl.gov
OI Das, Prodip/0000-0001-9096-3721; Kusoglu, Ahmet/0000-0002-2761-1050;
Mukundan, Rangachary/0000-0002-5679-3930
FU U.S. Department of Energy, Energy Efficiency and Renewable Energy, Fuel
Cell Technologies Office [DE-AC02-05CH11231]
FX This review has stemmed out of various discussions within and among the
members and meetings of the Transport Modeling Working Group of the U.S.
Department of Energy, Energy Efficiency and Renewable Energy, Fuel Cell
Technologies Office. We thank the program manager Dimitrios
Papageorgopoulos for his support, and the financial support of that
office to LBNL under contract No. DE-AC02-05CH11231. In addition, we
thank those that helped to form this manuscript including Jeff Allen,
Sirivatch Shimpalee, and John Van Zee. Finally, we thank the reviewers
for their helpful guidance and input, Thomas Fuller, John Weidner, and
JES for their support, encouragement, and guidance in writing this
critical review.
NR 511
TC 61
Z9 61
U1 31
U2 155
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 2014
VL 161
IS 12
BP F1254
EP F1299
DI 10.1149/2.0751412jes
PG 46
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AR8BL
UT WOS:000343800400078
ER
PT J
AU Manahan, MP
Clement, JT
Srouji, AK
Brown, SW
Reutzel, T
Mench, MM
AF Manahan, M. P.
Clement, J. T.
Srouji, A. K.
Brown, S. W.
Reutzel, T.
Mench, M. M.
TI Laser Modified Fuel Cell Diffusion Media: Engineering Enhanced
Performance via Localized Water Redistribution (vol 161, pg F1061, 2014)
SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY
LA English
DT Correction
C1 [Manahan, M. P.] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA.
[Clement, J. T.; Mench, M. M.] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Electrochem Energy Storage & Convers Lab, Knoxville, TN 37996 USA.
[Srouji, A. K.] Penn State Univ, Dept Energy & Mineral Engn, University Pk, PA 16802 USA.
[Brown, S. W.; Reutzel, T.] Penn State Univ, Appl Res Lab, Laser Syst Engn & Integrat Dept, University Pk, PA 16801 USA.
[Mench, M. M.] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA.
RP Manahan, MP (reprint author), Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA.
NR 1
TC 0
Z9 0
U1 0
U2 1
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 2014
VL 161
IS 12
BP X17
EP X17
DI 10.1149/2.0461412jes
PG 1
WC Electrochemistry; Materials Science, Coatings & Films
SC Electrochemistry; Materials Science
GA AR8BL
UT WOS:000343800400106
ER
PT S
AU Kuyumchyan, AV
Suvorov, AY
Ishikawa, T
Aristov, VV
Shulakov, EV
Isoyan, AA
Kuyumchyan, NA
Mkrtchyan, VP
AF Kuyumchyan, A. V.
Suvorov, A. Y.
Ishikawa, T.
Aristov, V. V.
Shulakov, E. V.
Isoyan, A. A.
Kuyumchyan, N. A.
Mkrtchyan, V. P.
BE Campo, EM
Dobisz, EA
Eldada, LA
TI NANO FABRICATION OF COMPOUND BIFOCAL ZONE PLATE FOR X-RAY OPTICS
SO NANOENGINEERING: FABRICATION, PROPERTIES, OPTICS, AND DEVICES XI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Nanoengineering - Fabrication, Properties, Optics, and
Devices XI
CY AUG 19-20, 2014
CL San Diego, CA
SP SPIE
DE Nano fabrication; x-ray focusing; compound crystal ZP; first and second
orders ZP; x-ray microscopy
AB The development of nanotechnology gives new possibilities for fabrication of different x-ray optical elements. We present results of focusing properties the compound silicon linear Zone Plate (ZP) for first and second orders. The compound silicon linear ZP is fabricated by an electron beam lithography and lift-off technology. ZPs structures have been etched by ion-plasma up to 6 mu m deep. A linear ZP of the first and second orders fabricated for x-ray radiation 10kev energy, the focal distance is 57sm. The entire aperture is 357.64 mu m, the width of the outermost zones of the first and second orders are 595nm, and the number of the first and second order zones are: N(1) + N(2) = 251. The experiment was performed at the beam line BL29XU Spring-8 of the Japan Synchrotron Radiation Facility. The experimentally and theoretically investigations were done for x-ray energy at the 10keV and 12.4keV (0.1nm wavelength). The radial distribution of intensity is determined as a convolution of the zone plate transmission function and the Kirchhoff propagator in par-axial approximation. The algorithm is based on the FFT procedure and studied by means of computer programming simulation.
C1 [Kuyumchyan, A. V.] Amer NanoSci & AME Inc, Los Angeles, CA 91204 USA.
[Suvorov, A. Y.] Brookhaven Natl Lab, Brookhaven, NY 11961 USA.
[Ishikawa, T.] SPring 8, JASRI, Hyogo 6795198, Japan.
[Aristov, V. V.; Shulakov, E. V.] RAS, Inst Microelect Technol, Chernogolovka 142432, Russia.
[Isoyan, A. A.] Synopsys Inc, Hillsboro, OR 97124 USA.
[Kuyumchyan, N. A.] California State Univ, Northridge, CA 91330 USA.
[Mkrtchyan, V. P.] Yerevan State Univ, Yerevan 375025, Armenia.
RP Kuyumchyan, AV (reprint author), Amer NanoSci & AME Inc, Los Angeles, CA 91204 USA.
EM Arkuyumchyan@gmail.com
FU American NanoScience and Advanced Medical Equipment, Inc. USA; Yerevan
State University, Armenia
FX The authors are grateful to financial support of American NanoScience
and Advanced Medical Equipment, Inc. USA and Yerevan State University,
Armenia.
NR 11
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U1 1
U2 4
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-197-3
J9 PROC SPIE
PY 2014
VL 9170
AR UNSP 91700V
DI 10.1117/12.2061560
PG 6
WC Nanoscience & Nanotechnology; Optics
SC Science & Technology - Other Topics; Optics
GA BB5HM
UT WOS:000343874400014
ER
PT S
AU Yang, G
Bolotnikov, AE
Fochuk, PM
Camarda, GS
Hossain, A
Roy, UN
Cui, Y
Pinder, R
Gray, J
James, RB
AF Yang, G.
Bolotnikov, A. E.
Fochuk, P. M.
Camarda, G. S.
Hossain, A.
Roy, U. N.
Cui, Y.
Pinder, R.
Gray, J.
James, R. B.
BE Hildebrandt, S
TI Thermo-migration of Te inclusions in CdZnTe during post-growth annealing
in a temperature-gradient field
SO PHYSICA STATUS SOLIDI C: CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 11,
NO 7-8
SE Physica Status Solidi C-Current Topics in Solid State Physics
LA English
DT Proceedings Paper
CT 16th International Conference on II-VI Compounds and Related Materials
CY SEP 09-13, 2013
CL Nagahama, JAPAN
SP Japan Soc Promot Sci, 125th Comm Convers between Light and Elect, Japan Soc Promot Sci, 162nd Comm Wide Bandgap Semicond Photon & Elect Devices, Japan Soc Promot Sci, Commemorat Org Japan, World Exposit, Support Ctr Adv Telecommunicat Technol Res, Murata Sci Fdn, Waseda Univ Res Inst Adv Network Technol
DE CdZnTe; annealing; Te inclusions; migration
ID CRYSTALS; PERFORMANCE; DETECTORS; CDTE
AB We studied the post-growth annealing of CdZnTe crystals in a temperature-gradient field and compared the changes of Te inclusions in CdZnTe crystals before and after annealing. The infrared (IR) transmission microscopy shows that Te inclusions can migrate towards the high-temperature end and leave some smaller dark spots behind. These dark spots may be voids within the original inclusions left behind after the migration of the Terich solid. Such thermo-migration depends on the specific locations of the Te inclusions within the CdZnTe matrix. Grain boundaries could have a strong trapping effect on the migration of Te inclusions, probablythrough the high density of dislocation networks in the grain- boundary region. In addition, we also observed new Te inclusions in the grain-boundary regions, which were formed during the annealing process. This phenomenon is attributed to the fast diffusion and gettering behavior of excess Te atoms, or possibly Cd vacancies, along the grain boundaries. (C) 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
C1 [Yang, G.; Bolotnikov, A. E.; Fochuk, P. M.; Camarda, G. S.; Hossain, A.; Roy, U. N.; Cui, Y.; Pinder, R.; Gray, J.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Yang, G (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM gyang@bnl.gov
RI Fochuk, Petro/D-9409-2016
OI Fochuk, Petro/0000-0002-4149-4882
NR 10
TC 1
Z9 1
U1 1
U2 6
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA PAPPELALLEE 3, W-69469 WEINHEIM, GERMANY
SN 1862-6351
J9 PHYS STATUS SOLIDI C
PY 2014
VL 11
IS 7-8
BP 1328
EP 1332
DI 10.1002/pssc.201300644
PG 5
WC Materials Science, Multidisciplinary; Physics, Condensed Matter
SC Materials Science; Physics
GA BB5FA
UT WOS:000343762100040
ER
PT S
AU Kopach, V
Kopach, O
Fochuk, P
Shcherbak, L
Bolotnikov, A
James, RB
AF Kopach, V.
Kopach, O.
Fochuk, P.
Shcherbak, L.
Bolotnikov, A.
James, R. B.
BE Godlewski, M
Zakrzewski, A
TI Kinetic parameters of Cd1-x-y Mn-x Zn-y Te alloys melting and
crystallization processes
SO PHYSICA STATUS SOLIDI C: CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 11,
NO 9-10
SE Physica Status Solidi C-Current Topics in Solid State Physics
LA English
DT Proceedings Paper
CT Fall Meeting Symposium on Novel Materials for Electronic,
Optoelectronic, Photovoltaic and Energy Saving Applications (E-MRS)
CY SEP 16-20, 2013
CL Warsaw, POLAND
DE differential thermal analysis (DTA); Cd1-x-yMnxZnyTe alloys;
crystallization effect; melting effect; solid phase
ID CD1-X-YZNXMNYTE CRYSTALS; DTA; TEMPERATURE; GROWTH
AB The knowledge about parameters of melting and crystallization processes is required for controlled growth of ternary or quaternary single crystals from the melts. The differential thermal analysis method was used for investigation of the melting and crystallization kinetic parameters of Cd1-x-yMnxZnyTe alloys (x = 0.05-0.25, y = 0.05, 0.10). Two different ways of sample thermal processing allow us to study the supercooling-superheating dependencies and the volume fraction of quasi-solid phase (clusters) depending on the melt holding temperature and time. "Negative" supercooling of Cd1-x-yMnxZnyTe melts was observed when superheating of the melts don't exceed 20 K after their melting start. The su-percooling values of Cd1-x-yMnxZnyTe melts decreased with increasing x (i.e. Mn content). The change of the melts holding time from 10 to 60 min has no effect on the supercooling values. Volume fraction of Cd1-x-yMnxZnyTe alloys clusters existing in the melt decreased with the holding temperature increasing. Full homogenization occurred only after of Cd0.95-xMnxZn0.05Te melts superheating higher than 1385 K, below this temperature melts exist in semiliquid state. The volume fraction of the quasi-solid phase is smaller if the melt was heated at 10 K/min than after heating at 5 K/min to the same temperature. Melting temperature of Cd0.95-xMnxZn0.05 Te alloys decreased with Mn content increasing. (C) 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
C1 [Kopach, V.; Kopach, O.; Fochuk, P.; Shcherbak, L.] Yuriy Fedkovych Chernivtsi Natl Univ, Kotsubinsky Str 2, UA-58012 Chernovtsy, Ukraine.
[Bolotnikov, A.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Fochuk, P (reprint author), Yuriy Fedkovych Chernivtsi Natl Univ, Kotsubinsky Str 2, UA-58012 Chernovtsy, Ukraine.
EM fochukp@gmail.com
RI Fochuk, Petro/D-9409-2016; Kopach, Oleh/C-3993-2017; Shcherbak,
Larysa/D-7332-2017
OI Fochuk, Petro/0000-0002-4149-4882; Kopach, Oleh/0000-0002-1513-5261;
Shcherbak, Larysa/0000-0003-1048-9818
NR 9
TC 1
Z9 1
U1 0
U2 1
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA PAPPELALLEE 3, W-69469 WEINHEIM, GERMANY
SN 1862-6351
J9 PHYS STATUS SOLIDI C
PY 2014
VL 11
IS 9-10
BP 1533
EP 1537
DI 10.1002/pssc.201300660
PG 5
WC Materials Science, Multidisciplinary; Physics, Applied; Physics,
Condensed Matter
SC Materials Science; Physics
GA BB5FY
UT WOS:000343809200035
ER
PT S
AU Sullivan, KO
Snyder, SW
AF Sullivan, Kelly O.
Snyder, Seth W.
BE Benvenuto, MA
TI Building Your Career in a Government Laboratory
SO WHAT YOU NEED FOR THE FIRST JOB, BESIDES THE PH.D. IN CHEMISTRY
SE ACS Symposium Series
LA English
DT Proceedings Paper
CT Symposium on What You Need for the First Job, besides the PhD in
Chemistry / 246th American-Chemical-Society National Meeting
CY SEP 08-13, 2013
CL Indianapolis, IN
SP Amer Chem Soc, Div Chem Educ
AB This paper describes practices and ideas that a new Ph.D. chemist or chemical engineer will need when starting employment in a government laboratory research environment. We discuss the difference between the government lab environment and the academic graduate research experience, covering an eclectic mix of topics with the intent of providing you the lessons that we believe will aid in your success.
C1 [Sullivan, Kelly O.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Snyder, Seth W.] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Sullivan, KO (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM Kelly.Sullivan@pnnl.gov
NR 0
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U1 0
U2 1
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA
SN 0097-6156
BN 978-0-8412-2962-4
J9 ACS SYM SER
JI ACS Symp. Ser.
PY 2014
VL 1165
BP 39
EP +
PG 2
WC Chemistry, Multidisciplinary; Education & Educational Research;
Education, Scientific Disciplines
SC Chemistry; Education & Educational Research
GA BB5RM
UT WOS:000344037100005
ER
PT S
AU Pardini, T
Boutet, S
Bradley, J
Doeppner, T
Fletcher, LB
Gardner, DF
Hill, RM
Hunter, MS
Krzywinski, J
Messerschmidt, M
Pak, AE
Quirin, F
Sokolowski-Tinten, K
Williams, GJ
Hau-Riege, SP
AF Pardini, Tom
Boutet, Sebastien
Bradley, Joseph
Doeppner, Tilo
Fletcher, Luke B.
Gardner, Dennis F.
Hill, Randy M.
Hunter, Mark S.
Krzywinski, Jacek
Messerschmidt, Marc
Pak, Arthur E.
Quirin, Florian
Sokolowski-Tinten, Klaus
Williams, Garth J.
Hau-Riege, Stefan P.
BE HauRiege, SP
Moeller, SP
Yabashi, M
TI Silicon single crystal as back-reflector for high-intensity hard x-rays
SO X-RAY FREE-ELECTRON LASERS: BEAM DIAGNOSTICS, BEAMLINE INSTRUMENTATION,
AND APPLICATIONS II
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on X-Ray Free-Electron Lasers - Beam Diagnostics, Beamline
Instrumentation, and Applications II
CY AUG 18-19, 2014
CL San Diego, CA
SP SPIE
DE pump-and-probe; silicon mirrors; damage; free electron laser;
diffraction
AB At the Lawrence Livermore National Laboratory (LLNL) we have engineered a silicon prototype sample that can be used to reflect focused hard x-ray photons at high intensities in back-scattering geometry. 1 Our work is motivated by the need for an all-x-ray pump-and-probe capability at X-ray Free Electron Lasers (XFELs) such as the Linac Coherent Light Source (LCSL) at SLAC. In the first phase of our project, we exposed silicon single crystal to the LCLS beam, and quantitatively studied the x-ray induced damage as a function of x-ray fluence. The damage we observed is extensive at fluences typical of pump-and-probe experiments. The conclusions drawn from our data allowed us to design and manufacture a silicon mirror that can limit the local damage, and reflect the incident beam before its single crystal structure is destroyed. In the second phase of this project we tested this prototype back-reflector at the LCLS. Preliminary results suggest that the new mirror geometry yields reproducible Bragg reflectivity at high x-ray fluences, promising a path forward for silicon single crystals as x-ray back-reflectors.
C1 [Pardini, Tom; Bradley, Joseph; Doeppner, Tilo; Hill, Randy M.; Hunter, Mark S.; Pak, Arthur E.; Hau-Riege, Stefan P.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Boutet, Sebastien; Fletcher, Luke B.; Krzywinski, Jacek; Messerschmidt, Marc; Williams, Garth J.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94566 USA.
[Gardner, Dennis F.] Univ Colorado, JILA, Boulder, CO 80309 USA.
[Quirin, Florian; Sokolowski-Tinten, Klaus] Univ Duisburg Essen, Fac Phys, D-47048 Duisburg, Germany.
RP Pardini, T (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
EM pardini2@llnl.gov
FU German Research Council (DFG) [SFB 616]; U.S. Department of Energy by
Lawrence Livermore National Laboratory [DE-AC52-07NA27344,
LLNL-PROC-658615]
FX TP wishes to thank Todd Decker and Jennifer Alameda for their help with
XRMD. We thank Ilme Schlichting for experimental support. FQ and KST
acknowledge support by the German Research Council (DFG) through the
Collaborative Research Centre SFB 616 Energy Dissipation at Surfaces.
Portions of this research were carried out at the Linac Coherent Light
Source (LCLS) at the 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. This work was performed
under the auspices of the U.S. Department of Energy by Lawrence
Livermore National Laboratory under Contract DE-AC52-07NA27344. Document
Release Number LLNL-PROC-658615.
NR 13
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U1 1
U2 5
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-237-6
J9 PROC SPIE
PY 2014
VL 9210
AR UNSP 92100D
DI 10.1117/12.2061087
PG 6
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BB5JL
UT WOS:000343910300006
ER
PT S
AU Roling, S
Appel, K
Braun, S
Buzmakov, A
Chubar, O
Gawlitza, P
Samoylova, L
Siemer, B
Schneidmiller, E
Sinn, H
Siewert, F
Tschentscher, T
Wahlert, F
Wostmann, M
Yurkov, M
Zacharias, H
AF Roling, Sebastian
Appel, Karen
Braun, Stefan
Buzmakov, Alexey
Chubar, O.
Gawlitza, Peter
Samoylova, Liubov
Siemer, Bjoern
Schneidmiller, Evgeny
Sinn, Harald
Siewert, Frank
Tschentscher, Thomas
Wahlert, Frank
Woestmann, Michael
Yurkov, Mikhail
Zacharias, Helmut
BE HauRiege, SP
Moeller, SP
Yabashi, M
TI A hard x-ray split-and-delay unit for the HED experiment at the European
XFEL
SO X-RAY FREE-ELECTRON LASERS: BEAM DIAGNOSTICS, BEAMLINE INSTRUMENTATION,
AND APPLICATIONS II
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on X-Ray Free-Electron Lasers - Beam Diagnostics, Beamline
Instrumentation, and Applications II
CY AUG 18-19, 2014
CL San Diego, CA
SP SPIE
AB For the High Energy Density (HED) experiment [1] at the European XFEL [2] an x-ray split-and delay-unit (SDU) is built covering photon energies from 5 keV up to 20 keV [3]. This SDU will enable time-resolved x-ray pump / x-ray probe experiments [4,5] as well as sequential diffractive imaging [6] on a femtosecond to picosecond time scale. Further, direct measurements of the temporal coherence properties will be possible by making use of a linear autocorrelation [7,8]. The set-up is based on geometric wavefront beam splitting, which has successfully been implemented at an autocorrelator at FLASH [9]. The x-ray FEL pulses are split by a sharp edge of a silicon mirror coated with multilayers. Both partial beams will then pass variable delay lines. For different photon energies the angle of incidence onto the multilayer mirrors will be adjusted in order to match the Bragg condition. For a photon energy of h nu = 20 keV a grazing angle of theta = 0.57 degrees has to be set, which results in a footprint of the beam (6 sigma) on the mirror of l = 98 mm. At this photon energy the reflectance of a Mo/B4C multi layer coating with a multilayer period of d = 3.2 nm and N = 200 layers amounts to R = 0.92. In order to enhance the maximum transmission for photon energies of h nu = 8 keV and below, a Ni/B4C multilayer coating can be applied beside the Mo/B4C coating for this spectral region. Because of the different incidence angles, the path lengths of the beams will differ as a function of wavelength. Hence, maximum delays between +/-2.5 ps at h nu = 20 keV and up to +/- 23 ps at h nu = 5 keV will be possible.
C1 [Roling, Sebastian; Siemer, Bjoern; Wahlert, Frank; Woestmann, Michael; Zacharias, Helmut] WWU Munster, Phys Inst, Wilhelm Klemm Str 10, D-48149 Munster, Germany.
[Appel, Karen; Samoylova, Liubov; Sinn, Harald; Tschentscher, Thomas] European XFEL GmbH, D-22761 Hamburg, Germany.
[Braun, Stefan; Gawlitza, Peter] Fraunhofer IWS Dresden, D-01277 Dresden, Germany.
[Buzmakov, Alexey] RAS, Shubikov Inst Crystallog, Moscow 119333, Russia.
[Chubar, O.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Schneidmiller, Evgeny; Yurkov, Mikhail] Deutsches Elektronen Synchrotron, D-22603 Hamburg, Germany.
[Wahlert, Frank] Helmholtz Zentrum Berlin, D-12489 Berlin, Germany.
RP Roling, S (reprint author), WWU Munster, Phys Inst, Wilhelm Klemm Str 10, D-48149 Munster, Germany.
EM s_roli02@uni-muenster.de; h.zacharias@uni-muenster.de
FU BMBF [05K10PM2, 05K13PM1]
FX This work is supported by the BMBF ( project: 05K10PM2 and 05K13PM1).
NR 15
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U1 0
U2 5
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-237-6
J9 PROC SPIE
PY 2014
VL 9210
AR UNSP 92100B
DI 10.1117/12.2061879
PG 9
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BB5JL
UT WOS:000343910300005
ER
PT S
AU Crume, A
Maltzahn, C
Ward, L
Kroeger, T
Curry, M
AF Crume, Adam
Maltzahn, Carlos
Ward, Lee
Kroeger, Thomas
Curry, Matthew
GP IEEE
TI Automatic Generation of Behavioral Hard Disk Drive Access Time Models
SO 2014 30TH SYMPOSIUM ON MASSIVE STORAGE SYSTEMS AND TECHNOLOGIES (MSST)
SE IEEE Symposium on Mass Storage Systems and Technologies Proceedings-MSST
LA English
DT Proceedings Paper
CT 30th Symposium on Mass Storage Systems and Technologies (MSST)
CY JUN 02-06, 2014
CL Santa Clara Univ, Santa Clara, CA
SP Sch Engn, Dept Comp Engn
HO Santa Clara Univ
ID MONOTONIC ACTIVATION FUNCTIONS; NEURAL-NETWORKS; PERFORMANCE; STORAGE;
PREDICTION; ALGORITHM; CLASSIFICATION; OPTIMIZATION; ARRAYS
AB Predicting access times is a crucial part of predicting hard disk drive performance. Existing approaches use white-box modeling and require intimate knowledge of the internal layout of the drive, which can take months to extract. Automatically learning this behavior is a much more desirable approach, requiring less expert knowledge, fewer assumptions, and less time. While previous research has created black-box models of hard disk drive performance, none have shown low per-request errors. A barrier to machine learning of access times has been the existence of periodic behavior with high, unknown frequencies. We identify these high frequencies with Fourier analysis and include them explicitly as input to the model. In this paper we focus on the simulation of access times for random read workloads within a single zone. We are able to automatically generate and tune request-level access time models with mean absolute error less than 0 : 1 5 ms. To our knowledge this is the first time such a fidelity has been achieved with modern disk drives using machine learning. We are confident that our approach forms the core for automatic generation of access time models that include other workloads and span across entire disk drives, but more work remains.
C1 [Crume, Adam; Maltzahn, Carlos] Univ Calif Santa Cruz, Santa Cruz, CA 95064 USA.
[Ward, Lee; Kroeger, Thomas; Curry, Matthew] Sandia Natl Labs, Livermore, CA USA.
RP Crume, A (reprint author), Univ Calif Santa Cruz, Santa Cruz, CA 95064 USA.
EM adamcrume@cs.ucsc.edu; carlosm@cs.ucsc.edu; lee@sandia.gov;
tmkroeg@sandia.gov; mlcurry@sandia.gov
NR 69
TC 0
Z9 0
U1 1
U2 3
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 2160-195X
BN 978-1-4799-5671-5
J9 IEEE S MASS STOR SYS
PY 2014
PG 11
WC Computer Science, Hardware & Architecture; Computer Science, Theory &
Methods
SC Computer Science
GA BB5BB
UT WOS:000343646000020
ER
PT S
AU Wan, LP
Lu, Z
Cao, Q
Wang, FY
Oral, S
Settlemyer, B
AF Wan, Lipeng
Lu, Zheng
Cao, Qing
Wang, Feiyi
Oral, Sarp
Settlemyer, Bradley
GP IEEE
TI SSD-Optimized Workload Placement with Adaptive Learning and
Classification in HPC Environments
SO 2014 30TH SYMPOSIUM ON MASSIVE STORAGE SYSTEMS AND TECHNOLOGIES (MSST)
SE IEEE Symposium on Mass Storage Systems and Technologies Proceedings-MSST
LA English
DT Proceedings Paper
CT 30th Symposium on Mass Storage Systems and Technologies (MSST)
CY JUN 02-06, 2014
CL Santa Clara Univ, Santa Clara, CA
SP Sch Engn, Dept Comp Engn
HO Santa Clara Univ
AB In recent years, non-volatile memory devices such as SSD drives have emerged as a viable storage solution due to their increasing capacity and decreasing cost. Due to the unique capability and capacity requirements in large scale HPC (High Performance Computing) storage environment, a hybrid configuration (SSD and lIDD) may represent one of the most available and balanced solutions considering the cost and performance. Under this setting, effective data placement as well as movement with controlled overhead become a pressing challenge. In this paper, we propose an integrated object placement and movement framework and adaptive learning algorithms to address these issues. Specifically, we present a method that shuffle data objects across storage tiers to optimize the data access performance. The method also integrates an adaptive learning algorithm where realtime classification is employed to predict the popularity of data object accesses, so that they can be placed on, or migrate between SSD or HDD drives in the most efficient manner. We discuss preliminary results based on this approach using a simulator we developed to show that the proposed methods can dynamically adapt storage placements and access pattern as workloads evolve to achieve the best system level performance such as throughput.
C1 [Wan, Lipeng; Lu, Zheng; Cao, Qing] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA.
[Wang, Feiyi; Oral, Sarp; Settlemyer, Bradley] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Wan, LP (reprint author), Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA.
EM lwan1@utk.edu; zlu12@utk.edu; cao@utk.edu; fwang2@ornl.gov;
oralhs@ornl.gov; settlemyerbw@ornl.gov
FU Laboratory Directed Research and Development Program of Oak Ridge
National Laboratory; LLC; U.S. Department of energy; National Science
Foundation [0953238]
FX The work reported in this paper was sponsored by the Laboratory Directed
Research and Development Program of Oak Ridge National Laboratory,
managed by UT-Battelle, LLC, for the U.S. Department of energy, and by
the National Science Foundation grant 0953238.
NR 21
TC 0
Z9 0
U1 0
U2 0
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
SN 2160-195X
BN 978-1-4799-5671-5
J9 IEEE S MASS STOR SYS
PY 2014
PG 6
WC Computer Science, Hardware & Architecture; Computer Science, Theory &
Methods
SC Computer Science
GA BB5BB
UT WOS:000343646000019
ER
PT J
AU Jin, T
Tracy, C
Veeraraghavan, M
AF Jin, Tian
Tracy, Chris
Veeraraghavan, Malathi
GP IEEE
TI Characterization of high-rate large-sized flows
SO 2014 IEEE INTERNATIONAL BLACK SEA CONFERENCE ON COMMUNICATIONS AND
NETWORKING (BLACKSEACOM)
LA English
DT Proceedings Paper
CT IEEE International Black Sea Conference on Communications and Networking
(BlackSeaCom)
CY MAY 27-30, 2014
CL Chisinau, MOLDOVA
SP IEEE
AB High-rate, large-sized (alpha) flows are of interest to providers for various reasons, e.g., they have the potential to degrade service quality for real-time flows, and users are sensitive to the throughput variance of these flows. In this paper, we present characteristics, such as size, duration, average rate, of alpha flows computed from Net Flow records collected over a 7-month period from 4 ESnet routers. Flows moving datasets as large as 811 GB and at rates as high as 5.7 Gbps were observed. Some source-destination pairs were found to repeatedly create alpha flows. An analysis of the rates of the 1596 repeated alpha flows created by one pair showed considerable variance, with minimum rate of 100 Mbps, maximum rate of 536 Mbps, and a coefficient of variation of 30%.
C1 [Jin, Tian; Veeraraghavan, Malathi] Univ Virginia, Charlottesville, VA 22904 USA.
[Tracy, Chris] Energy Sci Network ESnet, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Jin, T (reprint author), Univ Virginia, Charlottesville, VA 22904 USA.
EM tj3sr@virginia.edu; ctracy@es.net; mvee@virginia.edu
FU U. S. Department of Energy (DOE) [DE-SC0007341]; NSF [ACI-1340910,
OCI-1127340, CNS-1116081, CNS1405171]; Director, Office of Science,
Office of Basic Energy Sciences, of the U. S. DOE [DE-AC02-05CH11231]
FX The University of Virginia work was supported by the U. S. Department of
Energy (DOE) grant DE-SC0007341 and NSF grants ACI-1340910, OCI-1127340,
CNS-1116081, and CNS1405171. The ESnet work was supported by the
Director, Office of Science, Office of Basic Energy Sciences, of the U.
S. DOE under Contract No. DE-AC02-05CH11231.
NR 7
TC 2
Z9 2
U1 0
U2 0
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
BN 978-1-4799-4067-7
PY 2014
BP 73
EP 76
PG 4
WC Computer Science, Hardware & Architecture; Engineering, Electrical &
Electronic; Telecommunications
SC Computer Science; Engineering; Telecommunications
GA BB5AK
UT WOS:000343593200016
ER
PT J
AU Veeraraghavan, M
Monga, I
AF Veeraraghavan, Malathi
Monga, Inder
GP IEEE
TI Broadening the scope of optical circuit networks
SO 2014 INTERNATIONAL CONFERENCE ON OPTICAL NETWORK DESIGN AND MODELING
LA English
DT Proceedings Paper
CT 18th International Conference on Optical Network Design and Modeling
(ONDM)
CY MAY 19-22, 2014
CL KTH Royal Inst Technol, Stockholm, SWEDEN
SP Optical Networks Lab, IFIP TC 6, IEEE Photon Soc, IEEE Commun Soc, ERICSSON, IEEE, Vetenskapsradet, Stockholms Stad, DISCUS
HO KTH Royal Inst Technol
DE Optical circuit networks; dynamic circuit services; data centers;
applications
ID DESIGN
AB Advances in optical communications and switching technologies are enabling energy-efficient, flexible, higher-utilization network operations. To take full advantage of these capabilities, the scope of optical circuit networks can be increased in both the vertical and horizontal directions. In the vertical direction, some of the existing Internet applications, transport-layer protocols, and application-programming interfaces need to be redesigned and new ones invented to leverage the high-bandwidth, low-latency capabilities of optical circuit networks. In the horizontal direction, inter-domain control and management-protocols are required to create a global-scale interconnection of optical circuit-switched networks.
C1 [Veeraraghavan, Malathi] Univ Virginia, Charlottesville, VA 22904 USA.
[Monga, Inder] LBNL, ESnet, Berkeley, CA 94720 USA.
RP Veeraraghavan, M (reprint author), Univ Virginia, Charlottesville, VA 22904 USA.
EM mv5g@virginia.edu; imonga@lbl.gov
FU U.S. DOE [DE-SC0007341, ACO205CH11231]; NSF [CNS-1116081, OCI-1127340,
ACI-1340910, CNS-1405171]
FX The University of Virginia work was supported by the U.S. DOE grant
DE-SC0007341, and NSF grants CNS-1116081, OCI-1127340, ACI-1340910, and
CNS-1405171. The ESnet portion of the work was supported by the
Director, Office of Science of the U.S. DOE under Contract no.
DE-ACO205CH11231.
NR 28
TC 0
Z9 0
U1 0
U2 0
PU IEEE
PI NEW YORK
PA 345 E 47TH ST, NEW YORK, NY 10017 USA
BN 978-3-901882-60-9
PY 2014
BP 275
EP 280
PG 6
WC Computer Science, Hardware & Architecture; Engineering, Electrical &
Electronic; Optics
SC Computer Science; Engineering; Optics
GA BB5BD
UT WOS:000343647500047
ER
PT S
AU White, M
Martinez, A
Bossert, R
Dalesandro, A
Geynisman, M
Hansen, B
Klebaner, A
Makara, J
Pei, LJ
Richardson, D
Soyars, W
Theilacker, J
AF White, Michael
Martinez, Alex
Bossert, Rick
Dalesandro, Andrew
Geynisman, Michael
Hansen, Benjamin
Klebaner, Arkadiy
Makara, Jerry
Pei, Liujin
Richardson, Dave
Soyars, William
Theilacker, Jay
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI Cryogenic System for the Cryomodule Test Facility at Fermilab
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE Cryomodule; Helium Refrigerator; Compressor; Cryomodule Test Facility
AB This paper provides an overview of the current progress and near-future plans for the cryogenic system at the new Cryomodule Test Facility (CMTF) at Fermilab, which includes the helium compressors, refrigerators, warm vacuum compressors, gas and liquid storage, and a distribution system. CMTF will house the Project X Injector Experiment (PXIE), which is the front end of the proposed Project X. PXIE includes one 162.5 MHz half wave resonator (HWR) cryomodule and one 325 MHz single spoke resonator (SSR) cryomodule. Both cryomodules contain superconducting radio-frequency (SRF) cavities and superconducting magnets operated at 2.0 K. CMTF will also support the Advanced Superconducting Test Accelerator ( ASTA), which is located in the adjacent New Muon Lab (NML) building. A cryomodule test stand (CMTS1) located at CMTF will be used to test 1.3 GHz cryomodules before they are installed in the ASTA cryomodule string. A liquid helium pump and transfer line will be used to provide supplemental liquid helium to ASTA.
C1 [White, Michael; Martinez, Alex; Bossert, Rick; Dalesandro, Andrew; Geynisman, Michael; Hansen, Benjamin; Klebaner, Arkadiy; Makara, Jerry; Pei, Liujin; Richardson, Dave; Soyars, William; Theilacker, Jay] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP White, M (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
NR 10
TC 2
Z9 2
U1 1
U2 1
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 179
EP 186
DI 10.1063/1.4860699
PG 8
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400024
ER
PT S
AU Rabehl, R
Carcagno, R
Nogiec, J
Orris, D
Soyars, W
Sylvester, C
AF Rabehl, R.
Carcagno, R.
Nogiec, J.
Orris, D.
Soyars, W.
Sylvester, C.
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI A Cryogenic Test Stand for Large Superconducting Solenoid Magnets
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE Magnet; test stand
ID TEST FACILITY
AB A new test stand for testing large superconducting solenoid magnets at the Fermilab Central Helium Liquefier (CHL) has been designed, installed, and operated. This test stand is being used to test a coupling coil for the Muon Ionization Cooling Experiment (MICE), and future uses include solenoids for the Fermilab mu 2e experiment. This paper describes the test stand design and operation including controlled cool-down and warm-up. Overviews of the process controls system and the quench management system are also included.
C1 [Rabehl, R.; Carcagno, R.; Nogiec, J.; Orris, D.; Sylvester, C.] Fermilab Natl Accelerator Lab, Tech Div, POB 500, Batavia, IL 60510 USA.
[Soyars, W.] Accelerator Div, Fermilab, Batavia, IL 60510 USA.
RP Rabehl, R (reprint author), Fermilab Natl Accelerator Lab, Tech Div, POB 500, Batavia, IL 60510 USA.
FU LLC [De- AC02- 07CH11359]
FX Operated by Fermi Research Alliance, LLC under Contract No. De- AC02-
07CH11359 with the United States Department of Energy.
NR 8
TC 0
Z9 0
U1 0
U2 3
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 215
EP 222
DI 10.1063/1.4860704
PG 8
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400029
ER
PT S
AU Ganni, V
Knudsen, P
Arenius, D
Casagrande, F
AF Ganni, V.
Knudsen, P.
Arenius, D.
Casagrande, F.
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI Application of JLab 12GeV Helium Refrigeration System for the FRIB
Accelerator at MSU
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE Helium; refrigeration; 2 K process; sub-atmospheric process; cycles;
efficiency; cryomodule design
AB The planned approach to have a turnkey helium refrigeration system for the MSU-FRIB accelerator system, encompassing the design, fabrication, installation and commissioning of the 4.5-K refrigerator cold box(es), cold compression system, warm compression system, gas management, oil removal and utility/ancillary systems, was found to be cost prohibitive. Following JLab's suggestion, MSU-FRIB accelerator management made a formal request to evaluate the applicability of the recently designed 12GeV JLab cryogenic system for this application. The following paper will outline the findings and the planned approach for the FRIB helium refrigeration system.
C1 [Ganni, V.; Knudsen, P.; Arenius, D.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA.
[Casagrande, F.] BMSU FRIB, E Lansing, MI 48824 USA.
RP Ganni, V (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA.
FU Jefferson Science Associates, LLC under U. S. Department of Energy [DE-
AC05- 06OR23177]; U. S. Department of Energy Office of Science
[DE-SC0000661]; JSA [JSA 2012W003]; MSU
FX The authors would like to express their appreciation and thanks to the
TJNAF and FRIB management and to their colleagues for their support.
This work was supported by Jefferson Science Associates, LLC under the
U. S. Department of Energy contract no. DE- AC05- 06OR23177. Also this
material is based upon work supported by the U. S. Department of Energy
Office of Science under Cooperative Agreement DE-SC0000661. Michigan
State University designates and establishes FRIB as a DOE Office of
Science National User Facility in support of the mission of the Office
of Nuclear Physics. The FRIB/ JLab collaboration is supported by Work
for Others Agreement No. JSA 2012W003 between JSA and MSU.
NR 7
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 323
EP 328
DI 10.1063/1.4860718
PG 6
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400043
ER
PT S
AU Hasse, Q
Fuerst, JD
Ivanyushenkov, Y
Doose, C
Kasa, M
Shiroyanagi, Y
Trakhtenberg, EM
Skiadopoulos, D
AF Hasse, Quentin
Fuerst, J. D.
Ivanyushenkov, Y.
Doose, C.
Kasa, M.
Shiroyanagi, Y.
Trakhtenberg, E. M.
Skiadopoulos, D.
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI Fabrication and Assembly of a Superconducting Undulator for the Advanced
Photon Source
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE APS; cryogenics; superconducting magnet; cryocooler; cryostat.
AB A prototype superconducting undulator magnet (SCU) has been built at the Advanced Photon Source (APS) of Argonne National Laboratory (ANL) and has successfully completed both cryogenic performance and magnetic measurement test programs. The SCU0 closed loop, zero-boil-off cryogenic system incorporates high temperature superconducting (HTS) current leads, cryocoolers, a LHe reservoir supplying dual magnetic cores, and an integrated cooled beam chamber. This system presented numerous challenges in the design, fabrication, and assembly of the device. Aspects of this R&D relating to both the cryogenic and overall assembly of the device are presented here. The SCU0 magnet has been installed in the APS storage ring.
C1 [Hasse, Quentin; Fuerst, J. D.; Ivanyushenkov, Y.; Doose, C.; Kasa, M.; Shiroyanagi, Y.; Trakhtenberg, E. M.; Skiadopoulos, D.] Argonne Natl Lab, Adv Photon Source, Lemont, IL 60439 USA.
RP Hasse, Q (reprint author), Argonne Natl Lab, Adv Photon Source, Lemont, IL 60439 USA.
NR 6
TC 1
Z9 1
U1 2
U2 5
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 392
EP 399
PG 8
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400053
ER
PT S
AU Dhanaraj, N
Kashikhin, V
Peterson, T
Pronskikh, V
Nicol, T
AF Dhanaraj, N.
Kashikhin, V.
Peterson, T.
Pronskikh, V.
Nicol, T.
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI Study of Thermosiphon Cooling Scheme for the Production Solenoid of the
Mu2e Experiment at Fermi lab
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE Thermosiphon; Cryogenics; Superconducting magnet
ID CONCEPTUAL DESIGN
AB A thermo siphon cooling scheme is envisioned for the Production Solenoid of the Mu2e experiment at Fermi National Accelerator Laboratory. The thermosiphon cooling is achieved by indirect cooling with helium at 4.7 K. The siphon tubes are welded to the solenoid outer structure. The anticipated heat loads in the solenoid is presented as well as the cooling scheme design. A thermal model using ANSYS to simulate the temperature gradient is presented. The thermal analysis also makes provisions for including the heat load generated in the coils and structures by the secondary radiation simulated using the MARS 15 code. The impact of the heat loads from supports on the solenoid cooling is studied. The thermosiphon cooling scheme is also validated using pertinent correlations to study flow reversals and the cooling regime.
C1 [Dhanaraj, N.; Kashikhin, V.; Peterson, T.; Pronskikh, V.; Nicol, T.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Dhanaraj, N (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
NR 7
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 400
EP 406
DI 10.1063/1.4860729
PG 7
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400054
ER
PT S
AU Kimura, N
Andreev, N
Kashikhin, VS
Kerby, J
Takahashi, M
Tartaglia, MA
Tosaka, T
Yamamoto, A
AF Kimura, N.
Andreev, N.
Kashikhin, V. S.
Kerby, J.
Takahashi, M.
Tartaglia, M. A.
Tosaka, T.
Yamamoto, A.
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI Cryogenic Performance of a Conduction- Cooling Splittable Quadrupole
Magnet for ILC Cryomodules
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE ILC; splittable superconducting quadrupole magnet; conduction-cooling;
cryocooler
AB A conduction-cooled splittable superconducting quadrupole magnet was designed and fabricated at Fermilab for use in cryomodules of the International Linear Collider (ILC) type, in which the magnet was to be assembled around the beam tube to avoid contaminating the ultraclean superconducting radio frequency cavity volume. This quadrupole was first tested in a liquid helium bath environment at Fermilab, where its quench and magnetic properties were characterized. Because the device is to be cooled by conduction when installed in cryomodules, a separate test with a conduction-cooled configuration was planned at KEK and Fermilab. The magnet was converted to a conduction- cooled configuration by adding conduction-cooling passages made of high-purity aluminum. Efforts to convert and refabricate the magnet into a cryostat equipped with a double-stage pulse-tube-type cryocooler began in 2011, and a thermal performance test, including a magnet excitation test of up to 30 A, was conducted at KEK. In this test, the magnet with the conduction- cooled configuration was successfully cooled to 4 K within 190 h, with an acceptable heat load of less than 1 W at 4 K. It was also confirmed that the conduction- cooled splittable superconducting quadrupole magnet was practical for use in ILC- type cryomodules.
C1 [Kimura, N.; Yamamoto, A.] KEK, High Energy Accelerator Res Org, 1-1 Oho, Tsukuba, Ibaraki 3050801, Japan.
[Andreev, N.; Kashikhin, V. S.; Tartaglia, M. A.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
[Kerby, J.] Argonne Natl Lab, Argonne, IL 60439 USA.
[Takahashi, M.; Tosaka, T.] Toshiba Corp Power Syst Co, Kanagawa, 2300045, Japan.
RP Kimura, N (reprint author), KEK, High Energy Accelerator Res Org, 1-1 Oho, Tsukuba, Ibaraki 3050801, Japan.
FU Cryogenics Science Center of KEK
FX We thank the staff of the Cryogenics Science Center of KEK for their
support in the experiment. We wish to acknowledge Mr. Y. Kobayashi and
S. Saitoh with the Mechanical Engineering Center of KEK for their
expertise in making additional components for the magnet. We also wish
to acknowledge Mr. S. Gotoh and Mr. M. Tanaka's technical work with JECC
Torisya Co. Ltd. to fabricate the cryostat components.
NR 5
TC 0
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U1 0
U2 2
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 407
EP 415
DI 10.1063/1.4860730
PG 9
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400055
ER
PT S
AU Kashikhin, V
Ambrosio, G
Andreev, N
Lamm, M
Nicol, T
Orris, D
Page, T
AF Kashikhin, Vadim
Ambrosio, Giorgio
Andreev, Nikolai
Lamm, Michael
Nicol, Thomas
Orris, Darryl
Page, Thomas
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI Quench Protection Analysis of the Mu2e Production Solenoid
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE Superconducting magnet; solenoid; quench; cryostat.
ID CONCEPTUAL DESIGN
AB The Muon-to-Electron conversion experiment (Mu2e), under development at Fermilab, seeks to detect direct muon to electron conversion to provide evidence for a process violating muon and electron lepton number conservation that cannot be explained by the Standard Model of particle physics. The Mu2e magnet system consists of three large superconducting solenoids. In case of a quench, the stored magnetic energy is extracted to an external dump circuit. However, because of the fast current decay, a significant fraction of the energy dissipates inside of the cryostat in the coil support shells made of structural aluminum, and in the radiation shield. A 3D finite-element model of the complete coldmass was created in order to simulate the quench development and understand the role of the quench-back. The simulation results are reported at the normal and non- standard operating conditions.
C1 [Kashikhin, Vadim; Ambrosio, Giorgio; Andreev, Nikolai; Lamm, Michael; Nicol, Thomas; Orris, Darryl; Page, Thomas] Fermilab Natl Accelerator Lab, Tech Div, Batavia, IL 60510 USA.
RP Kashikhin, V (reprint author), Fermilab Natl Accelerator Lab, Tech Div, POB 500, Batavia, IL 60510 USA.
NR 12
TC 0
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U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 430
EP 437
DI 10.1063/1.4860733
PG 8
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400058
ER
PT S
AU Kim, SH
Conway, ZA
Ostroumov, PN
Shepard, KW
AF Kim, S. H.
Conway, Z. A.
Ostroumov, P. N.
Shepard, K. W.
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI Emissivity Measurement of Coated Copper and Aluminum Samples at 80 K
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE Cryomodule; Emissivity; Heat leak.
AB Accelerator cryomodules reduce the radiative thermal load to the 1.8 - 4.5 K components by enclosing them within low- emissivity shields cooled to 70- 100 K. These heat shields are not continuous and have many penetrations, or holes, to allow for the connection of support structures and the many subsystems running from room temperature. The penetrations have thermal baffles to reduce, or eliminate if possible, the direct line- of- sight between room temperature and the lower temperature components but leave many, low emissivity, paths with only a single reflection required for the room temperature photons to strike the 1.8 - 4.5 K surfaces. To reduce this we are coating our baffles such that the surfaces which face lower temperatures have a low- emissivity while the surfaces which the photons may reflect from but do not have line- of- sight to lower temperature surfaces have a high- absorption. We measure emissivities of different coatings from the heat balance between absorption, from background radiation and the heater attached on the sample, and emission powers. In this paper, design details of our experiment and measurement results will be presented.
C1 [Kim, S. H.; Conway, Z. A.; Ostroumov, P. N.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Shepard, K. W.] Tech Source Inc, Los Alamos, NM 87544 USA.
RP Kim, SH (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
FU U. S. Department of Energy, Office of Nuclear Physics [DEAC02-
06CH11357]
FX This work is supported by the U. S. Department of Energy, Office of
Nuclear Physics, under Contract No. DEAC02- 06CH11357.
NR 7
TC 0
Z9 0
U1 0
U2 4
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 500
EP 506
DI 10.1063/1.4860742
PG 7
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400067
ER
PT S
AU Hansen, B
Quack, H
Klebaner, A
AF Hansen, Benjamin
Quack, Hans
Klebaner, Arkadiy
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI Process Model and Capacity Upgrades of The CTI-4000 Liquid Helium
Coldbox
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE Helium; Liquefier; Refrigerator; Coldbox; Wet Engine; Model
AB Fermi National Accelerator Laboratory (FNAL) is in the process of re-commissioning a vintage CTI-4000 liquid helium coldbox, initially supplied by CTI-Cryogenics/Sulzer to Los Alamos in 1979. The coldbox was originally designed as a liquid helium refrigerator with capacity of similar to 1200 W at nominal 4-K. The process utilized LN2 precooling, in-series operation of two centrifugal gas bearing turboexpanders and final Joule-Thomson (J-T) expansion. At FNAL, the coldbox will be utilized as a liquefier to support 2-K operations. A process model was developed to aid in the upgrade decisions and used to determine the nominal capacity of the liquefier. Capacity upgrades are achieved by safely utilizing the internal LN2 precooler, the addition of a 3-inch reciprocating wet expansion engine and increasing the overall process pressure by recertifying two limiting pressure vessels to a higher MAWP.
C1 [Hansen, Benjamin; Klebaner, Arkadiy] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
[Quack, Hans] Techn Univ Dresden, Dresden, Germany.
RP Hansen, B (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
FU Fermi Research Alliance; LLC [DE-AC02-07CH11359]; United States
Department of Energy
FX Operated by Fermi Research Alliance, LLC under Contract No.
DE-AC02-07CH11359 with the United States Department of Energy.
NR 7
TC 0
Z9 0
U1 1
U2 2
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 687
EP 693
DI 10.1063/1.4860769
PG 7
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400094
ER
PT S
AU Chen, M
Dalesandro, A
Hansen, B
Klebaner, A
Nicol, T
Orlov, Y
Peterson, T
AF Chen, M.
Dalesandro, A.
Hansen, B.
Klebaner, A.
Nicol, T.
Orlov, Y.
Peterson, T.
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI Project X Superconducting Spoke Resonator Test Cryostat 2 K Conversion
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE Test Cryostat; internal piping; transfer line; pressure relief
AB Superconducting spoke resonators (SSR1 and SSR2) envisioned for Project X will be developed in Fermilab and operated at temperatures down to 2 K in continuous wave (CW) mode. Each spoke cavity will be tested individually in a cryostat that replicates conditions in the longer multi-cavity cryomodules. This test cryostat has all the features of the longer cryomodules - magnetic shielding, 80 K thermal shield, multi-layer insulation, support post, and input coupler [1]. Fermilab is in the processing of retrofitting the existing test cryostat which was originally designed for operation at 4.5 K. This paper describes the design of the conversion of the current test cryostat, flexible transfer lines, helium relief system and cryogenics interface.
C1 [Chen, M.; Dalesandro, A.; Hansen, B.; Klebaner, A.; Nicol, T.; Orlov, Y.; Peterson, T.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Chen, M (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
NR 4
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 790
EP 794
DI 10.1063/1.4860784
PG 5
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400109
ER
PT S
AU Fuerst, JD
Kaluzny, JA
AF Fuerst, J. D.
Kaluzny, J. A.
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI Two Low-Cost, Modular Sub-lambda Test Cryostats
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE srf; superconducting rf; test cryostat; 2 K
AB Two general-purpose liquid helium (LHe) test cryostats have been developed in support of a major upgrade to the Advanced Photon Source (APS) at Argonne National Laboratory (ANL). The cryostats are capable of sustained operation below 1.8 K and currently support tests of prototype superconducting rf (srf) cavities for the APS Upgrade's Short Pulse X-ray (SPX) initiative. To save cost, two existing test vessels were reconditioned: one "bucket dewar" supporting bare cavity tests and one shielded vacuum vessel with an integral LHe reservoir for jacketed/dressed cavity tests. A new feedbox containing a heat exchanger and associated valves was also designed and fabricated to support either cryostat. The resulting modular design permits tests on a wide variety of srf cavities in various states of completion, minimizing cost and maximizing use of the hardware. Together with a dedicated vacuum pump, control system, and helium supply via storage dewar or cryoplant, these cryostats are vital to the srf cavity development effort within the APS Upgrade.
C1 [Fuerst, J. D.; Kaluzny, J. A.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
RP Fuerst, JD (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 South Cass Ave, Argonne, IL 60439 USA.
NR 6
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 819
EP 826
DI 10.1063/1.4860788
PG 8
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400113
ER
PT S
AU Duckworth, RC
Baylor, LR
Meitner, SJ
Combs, SK
Ha, T
Morrow, M
Biewer, T
Rasmussen, DA
Hechler, MP
Pearce, RJH
Dremel, M
Boissin, JC
AF Duckworth, Robert C.
Baylor, Larry R.
Meitner, Steven J.
Combs, Stephen K.
Ha, Tam
Morrow, Michael
Biewer, T.
Rasmussen, David A.
Hechler, Michael P.
Pearce, Robert J. H.
Dremel, Mattias
Boissin, J. -C.
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI Evaluation of Static Mixer Flow Enhancements for Cryogenic Viscous
Compressor Prototype for ITER Vacuum System
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE ITER; cryopump; hydrogen; regeneration
ID DIVERTOR; HELIUM; DESIGN
AB As part of the U. S. ITER contribution to the vacuum systems for the ITER fusion project, a cryogenic viscous compressor (CVC) is being designed and fabricated to cryopump hydrogenic gases in the torus and neutral beam exhaust streams and to regenerate the collected gases to controlled pressures such that they can be mechanically pumped with controlled flows to the tritium reprocessing facility. One critical element of the CVC design that required additional investigation was the determination of flow rates of the low pressure (up to 1000 Pa) exhaust stream that would allow for complete pumping of hydrogenic gases while permitting trace levels of helium to pass through the CVC to be pumped by conventional vacuum pumps. A sub-scale prototype test facility was utilized to determine the effectiveness of a static mixer pump tube concept, which consisted of a series of rotated twisted elements brazed into a 2-mm thick, 5-cm diameter stainless steel tube. Cold helium gas flow provided by a dewar and helium transfer line was used to cool the exterior of the static mixer pump tube. Deuterium gas was mixed with helium gas through flow controllers at different concentrations while the composition of the exhaust gas was monitored with a Penning gauge and optical spectrometer to determine the effectiveness of the static mixer. It was found that with tube wall temperatures between 6 K and 9 K, the deuterium gas was completely cryopumped and only helium passed through the tube. These results have been used to design the cooling geometry and the static mixer pump tubes in the full-scale CVC prototype
C1 [Duckworth, Robert C.; Baylor, Larry R.; Meitner, Steven J.; Combs, Stephen K.; Ha, Tam; Morrow, Michael; Biewer, T.] Oak Ridge Natl Lab, Fus & Mat Nucl Syst Div, Oak Ridge, TN 37831 USA.
RP Duckworth, RC (reprint author), Oak Ridge Natl Lab, Fus & Mat Nucl Syst Div, Oak Ridge, TN 37831 USA.
NR 13
TC 0
Z9 0
U1 1
U2 5
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 864
EP 871
DI 10.1063/1.4860794
PG 8
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400120
ER
PT S
AU Tope, T
Adamowski, M
Carls, B
Hahn, A
Jaskierny, W
Jostlein, H
Kendziora, C
Lockwitz, S
Pahlka, B
Plunkett, R
Pordes, S
Rebel, B
Schmitt, R
Skup, E
Stancari, M
Yang, T
AF Tope, Terry
Adamowski, Mark
Carls, B.
Hahn, A.
Jaskierny, W.
Jostlein, H.
Kendziora, C.
Lockwitz, S.
Pahlka, B.
Plunkett, R.
Pordes, S.
Rebel, B.
Schmitt, R.
Skup, E.
Stancari, M.
Yang, T.
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI Extreme Argon Purity in a Large, Non-Evacuated Cryostat
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE Liquid Argon; Purification
AB Liquid Argon Time Projection Chambers (LArTPCs) show promise as scalable devices for the large detectors needed for long-baseline neutrino oscillation physics. Over the last several years at Fermilab a staged approach to developing the technology for large detectors has been developed. The TPC detectors require ultra-pure liquid argon with respect to electronegative contaminants such as oxygen and water. The tolerable electronegative contamination level may be as pure as 60 parts per trillion of oxygen. Three liquid argon cryostats operated at Fermilab have achieved the extreme purity required by TPCs. These three cryostats used evacuation to remove atmospheric contaminants as the first purification step prior to filling with liquid argon. Future physics experiments may require very large detectors with tens of kilotonnes of liquid argon mass. The capability to evacuate such large cryostats adds significant cost to the cryostat itself in addition to the cost of a large scale vacuum pumping system. This paper describes a 30 ton liquid argon cryostat at Fermilab which uses purging to remove atmospheric contaminants instead of evacuation as the first purification step. This cryostat has achieved electronegative contamination levels better than 60 parts per trillion of oxygen equivalent. The results of this liquid argon purity demonstration will strongly influence the design of future TPC cryostats.
C1 [Tope, Terry; Adamowski, Mark; Carls, B.; Hahn, A.; Jaskierny, W.; Jostlein, H.; Kendziora, C.; Lockwitz, S.; Pahlka, B.; Plunkett, R.; Pordes, S.; Rebel, B.; Schmitt, R.; Skup, E.; Stancari, M.; Yang, T.] Fermilab Natl Accelerator Lab, Particle Phys Div, Batavia, IL 60510 USA.
RP Tope, T (reprint author), Fermilab Natl Accelerator Lab, Particle Phys Div, POB 500, Batavia, IL 60510 USA.
NR 3
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 1169
EP 1175
DI 10.1063/1.4860838
PG 7
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400163
ER
PT S
AU Barzi, E
Kashikhin, VV
Lombardo, V
Turrioni, D
Rusy, A
Zlobin, AV
AF Barzi, E.
Kashikhin, V. V.
Lombardo, V.
Turrioni, D.
Rusy, A.
Zlobin, A. V.
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI Commissioning of 14 T/16 T Rutherford Cable Test Facility with Bifilar
Sample and Superconducting Transformer
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE Rutherford cable; superconducting transformer; primary; secondary
ID MAGNETIC-FIELD
AB A superconducting current transformer of up to 40 kA of nominal DC current was commissioned using Nb3Sn Rutherford cable samples. The existing infrastructure of the Superconducting Strand and Cable R&D lab at Fermilab, including a 14T/16T solenoid of 77 mm bore, a 2000 A power supply for the primary coil, and a fast data acquisition system, was used for housing and operating the device. Test results showed that the transformer was mechanically limited to currents of 13 kA. The cable test facility was commissioned again and reached 25 kA after completing design upgrades to the sample holder and to the mechanical structure. Test results are analyzed and presented for a number of cables, as well as calculations of the self-field distribution.
C1 [Barzi, E.; Kashikhin, V. V.; Lombardo, V.; Turrioni, D.; Rusy, A.; Zlobin, A. V.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Barzi, E (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
NR 7
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 1192
EP 1199
DI 10.1063/1.4860841
PG 8
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400166
ER
PT S
AU Alvarez, M
Cease, H
Flaugher, B
Flores, R
Garcia, J
Lathrop, A
Ruiz, F
AF Alvarez, M.
Cease, H.
Flaugher, B.
Flores, R.
Garcia, J.
Lathrop, A.
Ruiz, F.
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI The Development of a Cryogenic Over-Pressure Pump
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE pump; closed loop system; DES; Dark Energy Survey Project; telescope
AB A cryogenic over-pressure pump (OPP) was tested in the prototype telescope liquid nitrogen (LN2) cooling system for the Dark Energy Survey (DES) Project. This OPP consists of a process cylinder (PC), gas generator, and solenoid operated valves (SOVs). It is a positive displacement pump that provided intermittent liquid nitrogen (LN2) flow to an array of charge couple devices (CCDs) for the prototype Dark Energy Camera (DECam). In theory, a heater submerged in liquid would generate the drive gas in a closed loop cooling system. The drive gas would be injected into the PC to displace that liquid volume. However, due to limitations of the prototype closed loop nitrogen system (CCD cooling system) for DECam, a quasi-closed-loop nitrogen system was created. During the test of the OPP, the CCD array was cooled to its designed set point temperature of 173K. It was maintained at that temperature via electrical heaters. The performance of the OPP was captured in pressure, temperature, and flow rate in the CCD LN2 cooling system at Fermi National Accelerator Laboratory (FNAL).
C1 [Alvarez, M.; Cease, H.; Flaugher, B.; Flores, R.; Lathrop, A.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
[Garcia, J.; Ruiz, F.] Illinois Inst Technol, Chicago, IL 60616 USA.
RP Alvarez, M (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
FU U.S. Department of Energy; U.S. National Science Foundation; Ministry of
Science and Education of Spain; Science and Technology Facilities
Council of the United Kingdom; Higher Education Funding Council for
England; National Center for Supercomputing Applications at the
University of Illinois at Urbana-Champaign; Kavli Institute of
Cosmological Physics at the University of Chicago; Financiadora de
Estudos e Projetos; Fundacao Carlos Chagas Filho de Amparo a Pesquisa do
Estado do Rio de Janeiro; Conselho Nacional de Desenvolvimento
Cientifico e Tecnolcgico and the Ministerio da Ciencia e Tecnologia;
Deutsche Forschungsgemeinschaft; Collaborating Institutions in the Dark
Energy Survey
FX Funding for the DES Projects has been provided by the U.S. Department of
Energy, the U.S. National Science Foundation, the Ministry of Science
and Education of Spain, the Science and Technology Facilities Council of
the United Kingdom, the Higher Education Funding Council for England,
the National Center for Supercomputing Applications at the University of
Illinois at Urbana-Champaign, the Kavli Institute of Cosmological
Physics at the University of Chicago, Financiadora de Estudos e
Projetos, Fundacao Carlos Chagas Filho de Amparo a Pesquisa do Estado do
Rio de Janeiro, Conselho Nacional de Desenvolvimento Cientifico e
Tecnolcgico and the Ministerio da Ciencia e Tecnologia, the Deutsche
Forschungsgemeinschaft and the Collaborating Institutions in the Dark
Energy Survey.
NR 3
TC 0
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U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 1222
EP 1229
DI 10.1063/1.4860845
PG 8
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400170
ER
PT S
AU Huang, YN
Belomestnykh, S
Brutus, JC
Lederle, D
Orfin, P
Skaritka, J
Soria, V
Tallerico, T
Than, R
AF Huang, Yuenian
Belomestnykh, Sergey
Brutus, Jean Clifford
Lederle, Dewey
Orfin, Paul
Skaritka, John
Soria, Victor
Tallerico, Thomas
Than, Roberto
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI Cryogenic Systems for Proof of the Principle Experiment of Coherent
Electron Cooling at RHIC
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE Cryogenics; Super-fluid Helium; Heat Transfer and Superconducting RF
Cavity
AB The Coherent electron Cooling (CeC) Proof of Principle (PoP) experiment is proposed to be installed in the Relativistic Heavy Ion Collider (RHIC) to demonstrate proton and ion beam cooling with this new technique that may increase the beam luminosity in certain cases, by as much as tenfold. Within the scope of this project, a 112 MHz, 2MeV Superconducting Radio Frequency (SRF) electron gun and a 704 MHz 20MeV 5-cell SRF cavity will be installed at IP2 in the RHIC ring. The superconducting RF electron gun will be cooled in a liquid helium bath at 4.4 K. The 704 MHz 5-cell SRF cavity will be cooled in a super-fluid helium bath at 2.0 K. This paper discusses the cryogenic systems designed for both cavities. For the 112 MHz cavity cryogenic system, a condenser/boiler heat exchanger is used to isolate the cavity helium bath from pressure pulses and microphonics noise sources. For the 704 MHz 5-cell SRF cavity, a heat exchanger is also used to isolate the SRF cavity helium bath from noise sources in the sub-atmospheric pumping system operating at room temperature. Detailed designs, thermal analyses and discussions for both systems will be presented in this paper.
C1 [Huang, Yuenian; Belomestnykh, Sergey; Brutus, Jean Clifford; Lederle, Dewey; Orfin, Paul; Skaritka, John; Soria, Victor; Tallerico, Thomas; Than, Roberto] Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA.
RP Huang, YN (reprint author), Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA.
NR 4
TC 0
Z9 0
U1 0
U2 3
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 1325
EP 1332
DI 10.1063/1.4860860
PG 8
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400185
ER
PT S
AU Cease, H
Alvarez, M
Alvarez, R
Bonati, M
Derylo, G
Estrada, J
Flaugher, B
Flores, R
Lathrop, A
Munoz, F
Schmidt, R
Schmitt, RL
Schultz, K
Kuhlmann, S
Zhao, A
AF Cease, H.
Alvarez, M.
Alvarez, R.
Bonati, M.
Derylo, G.
Estrada, J.
Flaugher, B.
Flores, R.
Lathrop, A.
Munoz, F.
Schmidt, R.
Schmitt, R. L.
Schultz, K.
Kuhlmann, S.
Zhao, A.
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI Performance of the Dark Energy Camera Liquid Nitrogen Cooling System
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE Cryogenic; closed loop; two phase; telescope; camera; CTIO
AB The Dark Energy Camera, the Imager and its cooling system was installed onto the Blanco 4m telescope at the Cerro Tololo Inter-American Observatory in Chile in September 2012. The imager cooling system is a LN2 two-phase closed loop cryogenic cooling system. The cryogenic circulation processing is located off the telescope. Liquid nitrogen vacuum jacketed transfer lines are run up the outside of the telescope truss tubes to the imager inside the prime focus cage. The design of the cooling system along with commissioning experiences and initial cooling system performance is described. The LN2 cooling system with the DES imager was initially operated at Fermilab for testing, then shipped and tested in the Blanco Coude room. Now the imager is operating inside the prime focus cage. It is shown that the cooling performance sufficiently cools the imager in a closed loop mode, which can operate for extended time periods without maintenance or LN2 fills.
C1 [Cease, H.; Alvarez, M.; Derylo, G.; Estrada, J.; Flaugher, B.; Flores, R.; Lathrop, A.; Schmitt, R. L.; Schultz, K.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
[Alvarez, R.; Bonati, M.; Munoz, F.; Schmidt, R.] Cerro Telolo Inter Amer Observ, La Serena, Chile.
[Kuhlmann, S.; Zhao, A.] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Cease, H (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
NR 9
TC 1
Z9 1
U1 0
U2 1
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 1453
EP 1460
DI 10.1063/1.4860878
PG 8
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400203
ER
PT S
AU Meitner, SJ
Baylor, LR
Combs, SK
Fehling, DT
McGill, JM
Duckworth, RC
McGinnis, WD
Rasmussen, DA
AF Meitner, S. J.
Baylor, L. R.
Combs, S. K.
Fehling, D. T.
McGill, J. M.
Duckworth, R. C.
McGinnis, W. D.
Rasmussen, D. A.
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI Cryogenic Pellet Production Developments for Long-Pulse Plasma Operation
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE Pellet Injection; Twin Screw Extruder; Fueling; ELM Pacing
ID INJECTION
AB Long pulse plasma operation on large magnetic fusion devices require multiple forms of cryogenically formed pellets for plasma fueling, on-demand edge localized mode (ELM) triggering, radiative cooling of the divertor, and impurity transport studies. The solid deuterium fueling and ELM triggering pellets can be formed by extrusions created by helium cooled, twin-screw extruder based injection system that freezes deuterium in the screw section. A solenoid actuated cutter mechanism is activated to cut the pellets from the extrusion, inserting them into the barrel, and then fired by the pneumatic valve pulse of high pressure gas. Fuel pellets are injected at a rate up to 10 Hz, and ELM triggering pellets are injected at rates up to 20 Hz.
The radiative cooling and impurity transport study pellets are produced by introducing impurity gas into a helium cooled section of a pipe gun where it deposits in-situ. A pneumatic valve is opened and propellant gas is released downstream where it encounters a passive punch which initially accelerates the pellet before the gas flow around the finishes the pellet acceleration.
This paper discusses the various cryogenic pellet production techniques based on the twin-screw extruder, pipe gun, and pellet punch designs.
C1 [Meitner, S. J.; Baylor, L. R.; Combs, S. K.; Fehling, D. T.; McGill, J. M.; Duckworth, R. C.; McGinnis, W. D.; Rasmussen, D. A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Meitner, SJ (reprint author), Oak Ridge Natl Lab, 1Bethel Valley Rd, Oak Ridge, TN 37831 USA.
NR 7
TC 0
Z9 0
U1 2
U2 4
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 1475
EP 1482
DI 10.1063/1.4860881
PG 8
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400206
ER
PT S
AU Fuerst, JD
Doose, C
Hasse, Q
Ivanyushenkov, Y
Kasa, M
Shiroyanagi, Y
AF Fuerst, J. D.
Doose, C.
Hasse, Q.
Ivanyushenkov, Y.
Kasa, M.
Shiroyanagi, Y.
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI Cryogenic Performance of a Cryocooler-Cooled Superconducting Undulator
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE APS; cryogenics; cryostat; cryocooler; superconducting magnet; undulator
ID APS
AB A cryocooler-cooled superconducting undulator has been installed and operated with beam at the Advanced Photon Source (APS) at Argonne National Laboratory (ANL). The device consists of a dual-core 42-pole magnet structure that is cooled to 4.2 K with a system of four cryocoolers operating in a zero-boil-off configuration. This effort represents the culmination of a development program to establish concept feasibility and evaluate cryostat design and cryocooler-based refrigeration. Cryostat performance is described including cool-down/warm-up, steady-state operation, cooling margin, and the impact of beam during operation in the APS storage ring. Plans for future devices with longer magnets, which will incorporate lessons learned from the development program, are also discussed.
C1 [Fuerst, J. D.; Doose, C.; Hasse, Q.; Ivanyushenkov, Y.; Kasa, M.; Shiroyanagi, Y.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
RP Fuerst, JD (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 South Cass Ave, Argonne, IL 60439 USA.
NR 2
TC 1
Z9 1
U1 1
U2 1
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 1527
EP 1534
DI 10.1063/1.4860888
PG 8
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400213
ER
PT S
AU Green, MA
Pan, H
Preece, RM
AF Green, M. A.
Pan, H.
Preece, R. M.
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI Changes Made on a 2.7-m Long Superconducting Solenoid Magnet Cryogenic
System that allowed the Magnet to be kept cold using 4 K Pulse Tube
Coolers
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE Superconducting Magnet; 4 K Cooling; 50 K Shield Material; 50 K Shield
Cooling
ID DESIGN; LEADS
AB Two 2.7-m long solenoid magnets with a cold mass of 1400 kg were fabricated in between 2007 and 2010. The magnet cryostat outside diameter is similar to 1.4 meters and the cryostat length is similar to 2.73 meters. The magnet warm bore is 0.4 meters. The magnet was designed to be cooled using three 1.5 W two-stage coolers. In both magnets, three coolers could not keep the cryostat filled with liquid helium. The temperatures of the shield and the tops of the HTS leads were too warm. A 140 W single stage cooler was added to magnet 2 to cool the HTS leads, the shield and the cold mass support intercepts. When the magnet 2 was retested in 2010, the net cooling at 4.2 K was -1.5 W with first-stage temperatures of the four coolers at similar to 42 K. The tops of the HTS leads were <50 K, but the shield and cold mass support intercepts remained too warm. The solenoid cryostat and shield were modified during 2011 and 2012 to reduce the 4.2 K heat load and increase the cooling. This magnet was tested in 2012, with five 1.5 W two-stage coolers and the single stage cooler. The changes made in the magnet are described in this report. As a result of the cryostat and shield changes, and adding 3.0 W of cooling at 4.2 K, the net 4.2 K cooling changed from -1.6 W to +5.0 W. About half of the change in net cooling to this magnet was due changes that reduced the shield temperature. This report demonstrates the importance of running the shield cold (similar to 40 K) and reducing the heat loads from all sources on both the shield and the cold mass.
C1 [Green, M. A.; Pan, H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Preece, R. M.] STFC Rutherford Appleton Lab, Didcot, Oxon, England.
RP Green, MA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
FU Office of Science of the United States Department of Energy under DOE
[DE-AC-02-05CH11231]
FX This work was supported by the Office of Science of the United States
Department of Energy under DOE contract DE-AC-02-05CH11231.
NR 22
TC 1
Z9 1
U1 0
U2 1
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 1551
EP 1558
DI 10.1063/1.4860891
PG 8
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400216
ER
PT S
AU Montanari, D
Adamowski, M
Baller, BR
Barger, RK
Chi, EC
Davis, RP
Johnson, BD
Kubinski, BM
Mahoney, R
McCluskey, EG
Najdzion, JJ
Norris, BL
Rucinski, RA
Schmitt, RL
Stewart, J
Tope, TE
Watkins, DJ
AF Montanari, David
Adamowski, Mark
Baller, Bruce R.
Barger, Robert K.
Chi, Edward C.
Davis, Ronald P.
Johnson, Bryan D.
Kubinski, Bob M.
Mahoney, Ryan
McCluskey, Elaine G.
Najdzion, John J.
Norris, Barry L.
Rucinski, Russel A.
Schmitt, Rich L.
Stewart, James
Tope, Terry E.
Watkins, Daniel J.
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI First Scientific Application of the Membrane Cryostat Technology
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
AB We report on the design, fabrication, performance and commissioning of the first membrane cryostat to be used for scientific application. The Long Baseline Neutrino Experiment (LBNE) has designed and fabricated a membrane cryostat prototype in collaboration with IHI Corporation (IHI). Original goals of the prototype are: to demonstrate the membrane cryostat technology in terms of thermal performance, feasibility for liquid argon, and leak tightness; to demonstrate that we can remove all the impurities from the vessel and achieve the purity requirements in a membrane cryostat without evacuation and using only a controlled gaseous argon purge; to demonstrate that we can achieve and maintain the purity requirements of the liquid argon during filling, purification, and maintenance mode using mole sieve and copper filters from the Liquid Argon Purity Demonstrator (LAPD) R&D project. The purity requirements of a large liquid argon detector such as LBNE are contaminants below 200 parts per trillion oxygen equivalent. This paper gives the requirements, design, construction, and performance of the LBNE membrane cryostat prototype, with experience and results important to the development of the LBNE detector.
C1 [Montanari, David; Adamowski, Mark; Baller, Bruce R.; Barger, Robert K.; Chi, Edward C.; Davis, Ronald P.; Johnson, Bryan D.; Kubinski, Bob M.; Najdzion, John J.; Rucinski, Russel A.; Schmitt, Rich L.; Tope, Terry E.] Fermilab Natl Accelerator Lab, Particle Phys Div, Batavia, IL 60510 USA.
RP Montanari, D (reprint author), Fermilab Natl Accelerator Lab, Particle Phys Div, POB 500, Batavia, IL 60510 USA.
NR 5
TC 3
Z9 3
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 1664
EP 1671
DI 10.1063/1.4860907
PG 8
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400232
ER
PT S
AU Pei, L
Theilacker, J
Klebaner, A
Martinez, A
Bossert, R
AF Pei, L.
Theilacker, J.
Klebaner, A.
Martinez, A.
Bossert, R.
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI The Fermilab CMTF Cryogenic Distribution Remote Control System
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE Cryomodule test facility; Distribution; real-time remote control
AB The Cryomodule Test Facility (CMTF) is able to provide the necessary test bed for measuring the performance of Superconducting Radio Frequency (SRF) cavities in a cryomodule (CM). The CMTF have seven 300 KW screw compressors, two liquid helium refrigerators, and two Cryomodule Test Stands (CMTS). CMTS1 is designed for 1.3 GHz cryomodule operating in a pulsed mode (PM) and CMTS2 is for cryomodule operating in Half-Wave (HW) and Continuous Wave (CW) mode. Based on the design requirement, each subsystem has to be far away from each other and be placed in distant locations. Therefore choosing Siemens Process Control System 7-400, DL205 PLC, Synoptic and Fermilab ACNET are the ideal choices for CMTF cryogenic distribution real-time remote control system.
This paper presents a method which has been successfully used by many Fermilab distribution cryogenic real-time remote control systems.
C1 [Pei, L.; Theilacker, J.; Klebaner, A.; Martinez, A.; Bossert, R.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Pei, L (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
NR 3
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 1713
EP 1719
DI 10.1063/1.4860914
PG 7
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400239
ER
PT S
AU Dalesandro, AA
Dhuley, RC
Theilacker, JC
Van Sciver, SW
AF Dalesandro, Andrew A.
Dhuley, Ram C.
Theilacker, Jay C.
Van Sciver, Steven W.
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI Results from Sudden Loss of Vacuum on Scaled Superconducting Radio
Frequency Cryomodule Experiment
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE Loss of Insulating Vacuum; Condensation Heat Transfer; Superconducting
RF
AB Superconducting radio frequency (SRF) cavities for particle accelerators are at risk of failure due to sudden loss of vacuum (SLV) adjacent to liquid helium (LHe) spaces. To better understand this failure mode and its associated risks an experiment is designed to test the longitudinal effects of SLV within the beam tube of a scaled SRF cryomodule that has considerable length relative to beam tube cross section. The scaled cryomodule consists of six individual SRF cavities each roughly 350 mm long, initially cooled to 2 K by a superfluid helium bath and a beam tube pumped to vacuum. A fast-acting solenoid valve is used to simulate SLV on the beam tube, from which point it takes over 3 s for the beam tube pressure to equalize with atmosphere, and 30 s for the helium space to reach the relief pressure of 4 bara. A SLV longitudinal effect in the beam tube is evident in both pressure and temperature data, but interestingly the temperatures responds more quickly to SLV than do the pressures. It takes 500 ms (roughly 100 ms per cavity) for the far end of the 2 m long beam tube to respond to a pressure increase compared to 300 ms for temperature (approximately 50 ms per cavity). The paper expands upon these and other results to better understand the longitudinal effect for SRF cryomodules due to SLV.
C1 [Dalesandro, Andrew A.; Theilacker, Jay C.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
[Dhuley, Ram C.; Van Sciver, Steven W.] Nat High Magnet Field Lab, Tallahassee, FL 32310 USA.
RP Dalesandro, AA (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
OI Dhuley, Ram/0000-0001-6669-9772
FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; United States
Department of Energy
FX Fermilab is operated by Fermi Research Alliance, LLC under Contract No.
DE-AC02-07CH11359 with the United States Department of Energy. Thanks to
Ernesto Bosque, Mark Vanderlaan, Joe Brown, Wayne Johnson, Steve Cullum,
and James O'Neill for technical assistance.
NR 5
TC 2
Z9 2
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 1822
EP 1828
DI 10.1063/1.4860929
PG 7
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400254
ER
PT S
AU Conway, ZA
Barcikowski, A
Cherry, GL
Fischer, RL
Fuerst, JD
Jansma, WG
Gerbick, SM
Kedzie, MJ
Kelly, MP
Kim, SH
MacDonald, SWT
Murphy, RC
Ostroumov, PN
Reid, TC
Shepard, KW
AF Conway, Z. A.
Barcikowski, A.
Cherry, G. L.
Fischer, R. L.
Fuerst, J. D.
Jansma, W. G.
Gerbick, S. M.
Kedzie, M. J.
Kelly, M. P.
Kim, S. H.
MacDonald, S. W. T.
Murphy, R. C.
Ostroumov, P. N.
Reid, T. C.
Shepard, K. W.
BE Weisend, JG
Breon, S
Demko, J
DiPirro, M
Fesmire, J
Kittel, P
Klebaner, A
Marquardt, J
Nellis, G
Peterson, T
Pfotenhauer, J
Yuan, S
Zagarola, M
Zeller, A
TI Assembly and Commissioning of a New SRF Cryomodule for the ATLAS
Intensity Upgrade
SO ADVANCES IN CRYOGENIC ENGINEERING
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT Joint Conference of the Transactions of the Cryogenic Engineering
Conference (CEC) / Transactions of the International Cryogenic Materials
Conference
CY JUN 17-21, 2013
CL Anchorage, AK
SP Air Liquide, Burkert Fluid Control Syst, Cryomech Inc, DeMaCo, Linde, Lydall, Meyer Tool & Mfg Inc, PHPK Technologies, SuperPower Inc
DE ATLAS heavy ion linac; cryomodule; superconducting rf cavity; pressure
vessel
AB The Argonne National Laboratory Physics Division is in the final stages of a major upgrade to the Argonne Tandem Linear Accelerator System national user facility, referred to as the intensity upgrade. The intensity upgrade project will substantially increase beam currents for experimenters working with the existing ATLAS stable and in-flight rare isotope beams and for the neutron-rich beams from the Californium Rare Isotope Breeder Upgrade. This project includes the replacement of three existing cryomodules, containing 18 superconducting accelerator cavities and 9 superconducting solenoids, with a single cryomodule with seven SC 72.75 MHz accelerator cavities optimized for ion velocities of 7.7% the speed of light and 4 SC solenoids all operating at 4.5 K. This presentation will report: how we minimized the heat load into the 4 K and 80 K coolant streams feeding the cryomodule, a comparison of the calculated and measured static heat loads at 80 K and the mechanical design of the vacuum vessel.
C1 [Conway, Z. A.; Barcikowski, A.; Cherry, G. L.; Fischer, R. L.; Fuerst, J. D.; Jansma, W. G.; Gerbick, S. M.; Kedzie, M. J.; Kelly, M. P.; Kim, S. H.; MacDonald, S. W. T.; Murphy, R. C.; Ostroumov, P. N.; Reid, T. C.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Shepard, K. W.] TechSource Inc, Cent Ave, Los Alamos, NM 87544 USA.
RP Conway, ZA (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
FU U.S. Department of Energy, Office of Nuclear Physics [DE-AC02-06CH11357]
FX This work was supported by the U.S. Department of Energy, Office of
Nuclear Physics, under Contract No. DE-AC02-06CH11357.
NR 12
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1202-6
J9 AIP CONF PROC
PY 2014
VL 1573
BP 1829
EP 1836
DI 10.1063/1.4860930
PG 8
WC Thermodynamics; Materials Science, Multidisciplinary; Physics, Applied
SC Thermodynamics; Materials Science; Physics
GA BB4VM
UT WOS:000343409400255
ER
PT J
AU Lamb, JD
AF Lamb, John D.
TI All Ye Need to Know
SO BYU STUDIES QUARTERLY
LA English
DT Article
C1 [Lamb, John D.] US DOE, Washington, DC 20585 USA.
[Lamb, John D.] BYU Chem Fac, Provo, UT USA.
NR 7
TC 0
Z9 0
U1 0
U2 0
PU BRIGHAM YOUNG UNIV
PI PROVO
PA 290 LIFE SCIENCE MUSEUM, PROVO, UT 84602 USA
SN 0007-0106
J9 BYU STUD Q
JI BYU Stud. Q.
PY 2014
VL 53
IS 3
BP 146
EP 159
PG 14
WC Humanities, Multidisciplinary
SC Arts & Humanities - Other Topics
GA AQ9PA
UT WOS:000343186600008
ER
PT J
AU Cornillon, PA
Hengartner, NW
Matzner-Lober, E
AF Cornillon, Pierre-Andre
Hengartner, N. W.
Matzner-Lober, E.
TI RECURSIVE BIAS ESTIMATION FOR MULTIVARIATE REGRESSION SMOOTHERS
SO ESAIM-PROBABILITY AND STATISTICS
LA English
DT Article
DE nonparametric regression; smoother; kernel; thin-plate splines; stopping
rules
ID GENERALIZED CROSS-VALIDATION; ADDITIVE LOGISTIC-REGRESSION; STATISTICAL
VIEW; SPLINE FUNCTIONS
AB This paper presents a practical and simple fully nonparametric multivariate smoothing procedure that adapts to the underlying smoothness of the true regression function. Our estimator is easily computed by successive application of existing base smoothers (without the need of selecting an optimal smoothing parameter), such as thin-plate spline or kernel smoothers. The resulting smoother has better out of sample predictive capabilities than the underlying base smoother, or competing structurally constrained models (MARS, GAM) for small dimension (3 <= d <= 7) and moderate sample size n <= 1000. Moreover our estimator is still useful when d > 10 and to our knowledge, no other adaptive fully nonparametric regression estimator is available without constrained assumption such as additivity for example. On a real example, the Boston Housing Data, our method reduces the out of sample prediction error by 20%. An R package ibr, available at CRAN, implements the proposed multivariate nonparametric method in R.
C1 [Cornillon, Pierre-Andre] Univ Rennes 2, IRMAR, UMR 6625, F-35043 Rennes, France.
[Hengartner, N. W.] Los Alamos Natl Lab, Stochast Grp, Los Alamos, NM 87545 USA.
[Matzner-Lober, E.] Agrocampus Ouest, Lab Math Appl, F-35043 Rennes, France.
[Matzner-Lober, E.] Univ Rennes 2, F-35043 Rennes, France.
RP Cornillon, PA (reprint author), Univ Rennes 2, IRMAR, UMR 6625, F-35043 Rennes, France.
EM eml@uhb.fr
NR 31
TC 1
Z9 1
U1 1
U2 1
PU EDP SCIENCES S A
PI LES ULIS CEDEX A
PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A,
FRANCE
SN 1292-8100
J9 ESAIM-PROBAB STAT
JI ESAIM-Prob. Stat.
PD JAN
PY 2014
VL 18
BP 483
EP 502
DI 10.1051/ps/2013046
PG 20
WC Statistics & Probability
SC Mathematics
GA AR1TY
UT WOS:000343368700022
ER
PT S
AU Wu, MY
Piccini, ME
Singh, AK
AF Wu, Meiye
Piccini, Matthew E.
Singh, Anup K.
BE Nielsen, BS
TI miRNA Detection at Single-Cell Resolution Using Microfluidic LNA
Flow-FISH
SO IN SITU HYBRIDIZATION PROTOCOLS, 4TH EDITION
SE Methods in Molecular Biology
LA English
DT Article; Book Chapter
DE microRNA; Locked nucleic acid; Fluorescence in situ hybridization; FISH;
Flow cytometry; Multiplexing; Single-cell resolution; Microfluidics;
Rolling circle amplification
ID IN-SITU HYBRIDIZATION; LOCKED NUCLEIC-ACIDS; NONCODING RNAS; CYTOMETRY
AB Flow cytometry in combination with fluorescent in situ hybridization (flow-FISH) is a powerful technique that can be utilized to rapidly detect nucleic acids at single-cell resolution without the need for homogenization or nucleic acid extraction. Here, we describe a microfluidic-based method which enables the detection of microRNAs or miRNAs in single intact cells by flow-FISH using locked nucleic acid (LNA)-containing probes. Our method can be applied to all RNA species including mRNA and small noncoding RNA and is suitable for multiplexing with protein immunostaining in the same cell. For demonstration of our method, this chapter details the detection of miR155 and CD69 protein in PMA and ionomycin-stimulated Jurkat cells. We also include instructions on how to set up a microfluidic chip sample preparation station to prepare cells for imaging and analysis on a commercial flow cytometer or a custom-built micro-flow cytometer.
C1 [Wu, Meiye; Piccini, Matthew E.; Singh, Anup K.] Sandia Natl Labs, Livermore, CA 94550 USA.
RP Wu, MY (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA.
OI Wu, Meiye/0000-0003-3712-1554
FU NIDCR NIH HHS [R01 DE020891]; NIGMS NIH HHS [P50GM085273]
NR 14
TC 3
Z9 3
U1 0
U2 12
PU HUMANA PRESS INC
PI TOTOWA
PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA
SN 1064-3745
BN 978-1-4939-1459-3; 978-1-4939-1458-6
J9 METHODS MOL BIOL
JI Methods Mol. Biol.
PY 2014
VL 1211
BP 245
EP 260
DI 10.1007/978-1-4939-1459-3_20
D2 10.1007/978-1-4939-1459-3
PG 16
WC Biochemical Research Methods; Biochemistry & Molecular Biology; Cell
Biology
SC Biochemistry & Molecular Biology; Cell Biology
GA BB4MU
UT WOS:000343236900021
PM 25218391
ER
PT J
AU Sargsyan, K
Safta, C
Najm, HN
Debusschere, BJ
Ricciuto, D
Thornton, P
AF Sargsyan, Khachik
Safta, Cosmin
Najm, Habib N.
Debusschere, Bert J.
Ricciuto, Daniel
Thornton, Peter
TI DIMENSIONALITY REDUCTION FOR COMPLEX MODELS VIA BAYESIAN COMPRESSIVE
SENSING
SO INTERNATIONAL JOURNAL FOR UNCERTAINTY QUANTIFICATION
LA English
DT Article
DE uncertainty quantification; surrogate model; Bayesian inference;
compressive sensing; classification; polynomial chaos; community land
model
ID POLYNOMIAL CHAOS EXPANSIONS; FINITE-ELEMENT-METHOD; UNCERTAINTY
QUANTIFICATION; REPRESENTATIONS; EQUATIONS; SOLVER; RULES; LASSO
AB Uncertainty quantification in complex physical models is often challenged by the computational expense of these models. One often needs to operate under the assumption of sparsely available model simulations. This issue is even more critical when models include a large number of input parameters. This "curse of dimensionality," in particular, leads to a prohibitively large number of basis terms in spectral methods for uncertainty quantification, such as polynomial chaos (PC) methods. In this work, we implement a PC-based surrogate model construction that "learns" and retains only the most relevant basis terms of the PC expansion, using sparse Bayesian learning. This dramatically reduces the dimensionality of the problem, making it more amenable to further analysis such as sensitivity or calibration studies. The model of interest is the community land model with about 80 input parameters, which also exhibits nonsmooth input-output behavior. We enhanced the methodology by a clustering and classifying procedure that leads to a piecewise-PC surrogate thereby dealing with nonlinearity. We then obtain global sensitivity information for five outputs with respect to all input parameters using less than 10,000 model simulations-a very small number for an 80-dimensional input parameter space.
C1 [Sargsyan, Khachik; Safta, Cosmin; Najm, Habib N.; Debusschere, Bert J.] Sandia Natl Labs, Livermore, CA 94550 USA.
[Ricciuto, Daniel; Thornton, Peter] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Sargsyan, K (reprint author), Sandia Natl Labs, 7011 East Ave,MS 9051, Livermore, CA 94550 USA.
EM ksargsy@sandia.gov
RI Thornton, Peter/B-9145-2012; Ricciuto, Daniel/I-3659-2016
OI Thornton, Peter/0000-0002-4759-5158; Ricciuto,
Daniel/0000-0002-3668-3021
FU US Department of Energy, Office of Science - Biological and
Environmental Research (BER) program; US Department of Energy's National
Nuclear Security Administration [DE-AC04-94-AL85000]
FX This work was supported by the US Department of Energy, Office of
Science, under the project "Climate Science for a Sustainable Energy
Future," funded by the Biological and Environmental Research (BER)
program. 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-AC04-94-AL85000.
NR 50
TC 13
Z9 13
U1 0
U2 14
PU BEGELL HOUSE INC
PI REDDING
PA 50 CROSS HIGHWAY, REDDING, CT 06896 USA
SN 2152-5080
EI 2152-5099
J9 INT J UNCERTAIN QUAN
JI Int. J. Uncertain. Quantif.
PY 2014
VL 4
IS 1
BP 63
EP 93
DI 10.1615/Int.J.UncertaintyQuantification.2013006821
PG 31
WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary
Applications
SC Engineering; Mathematics
GA AR2LU
UT WOS:000343419400004
ER
PT J
AU Najm, HN
Berry, RD
Safta, C
Sargsyan, K
Debusschere, BJ
AF Najm, Habib N.
Berry, Robert D.
Safta, Cosmin
Sargsyan, Khachik
Debusschere, Bert J.
TI DATA-FREE INFERENCE OF UNCERTAIN PARAMETERS IN CHEMICAL MODELS
SO INTERNATIONAL JOURNAL FOR UNCERTAINTY QUANTIFICATION
LA English
DT Article
DE uncertainty quantification; data-free inference; Bayesian; ignition;
chemistry
ID STOCHASTIC DIFFERENTIAL-EQUATIONS; GENERALIZED POLYNOMIAL CHAOS;
EVALUATED KINETIC-DATA; RANDOM INPUT DATA; COLLOCATION METHOD;
PROJECTION METHOD; FLUID-FLOW; OXIDATION; QUANTIFICATION; COMBUSTION
AB We outline the use of a data-free inference procedure for estimation of uncertain model parameters for a chemical model of methane-air ignition. The method involves a nested pair of Markov chains, exploring both the data and parametric spaces, to discover a pooled joint posterior consistent with available information. We describe the highlights of the method, and detail its particular implementation in the system at hand. We examine the performance of the procedure, focusing on the robustness and convergence of the estimated joint parameter posterior with increasing number of data chain samples. We also comment on comparisons of this posterior with the missing reference posterior density.
C1 [Najm, Habib N.; Berry, Robert D.; Safta, Cosmin; Sargsyan, Khachik; Debusschere, Bert J.] Sandia Natl Labs, Livermore, CA 94551 USA.
RP Najm, HN (reprint author), Sandia Natl Labs, POB 969,MS 9051, Livermore, CA 94551 USA.
EM hnnajm@sandia.gov
FU US Department of Energy (DOE), Office of Basic Energy Sciences (BES)
Division of Chemical Sciences, Geosciences, and Biosciences; DOE Office
of Advanced Scientific Computing Research (ASCR), under the Scientific
Discovery through Advanced Computing (SciDAC) program; US Department of
Energy's National Nuclear Security Administration [AC04-94-AL85000]; DOE
ASCR
FX This work was supported by the US Department of Energy (DOE), Office of
Basic Energy Sciences (BES) Division of Chemical Sciences, Geosciences,
and Biosciences; by the DOE Office of Advanced Scientific Computing
Research (ASCR), under the Scientific Discovery through Advanced
Computing (SciDAC) program; and by the DOE ASCR Applied Mathematics
program via the 2009 American Recovery and Reinvestment Act. Sandia
National Laboratories is a multiprogram 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-AC04-94-AL85000.
NR 50
TC 2
Z9 2
U1 1
U2 4
PU BEGELL HOUSE INC
PI DANBURY
PA 50 NORTH ST, DANBURY, CT 06810 USA
SN 2152-5080
EI 2152-5099
J9 INT J UNCERTAIN QUAN
JI Int. J. Uncertain. Quantif.
PY 2014
VL 4
IS 2
BP 111
EP 132
DI 10.1615/Int.J.UncertaintyQuantification.2013005679
PG 22
WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary
Applications
SC Engineering; Mathematics
GA AR2LZ
UT WOS:000343420000002
ER
PT J
AU Dalbey, K
Swiler, L
AF Dalbey, Keith
Swiler, Laura
TI GAUSSIAN PROCESS ADAPTIVE IMPORTANCE SAMPLING
SO INTERNATIONAL JOURNAL FOR UNCERTAINTY QUANTIFICATION
LA English
DT Article
DE uncertainty quantification; probability theory; Monte Carlo; mixture
models
ID EFFICIENT
AB The objective is to calculate the probability, P-F, that a device will fail when its inputs, x, are randomly distributed with probability density, p (x), e.g., the probability that a device will fracture when subject to varying loads. Here failure is defined as some scalar function, y (x), exceeding a threshold, T. If evaluating y (x) via physical or numerical experiments is sufficiently expensive or P-F is sufficiently small, then Monte Carlo (MC) methods to estimate P-F will be unfeasible due to the large number of function evaluations required for a specified accuracy. Importance sampling (IS), i.e., preferentially sampling from "important" regions in the input space and appropriately down-weighting to obtain an unbiased estimate, is one approach to assess P-F more efficiently. The inputs are sampled from an importance density, p' (x). We present an adaptive importance sampling (AIS) approach which endeavors to adaptively improve the estimate of the ideal importance density, p* (x), during the sampling process. Our approach uses a mixture of component probability densities that each approximate p* (x). An iterative process is used to construct the sequence of improving component probability densities. At each iteration, a Gaussian process (GP) surrogate is used to help identify areas in the space where failure is likely to occur. The GPs are not used to directly calculate the failure probability; they are only used to approximate the importance density. Thus, our Gaussian process adaptive importance sampling (GPAIS) algorithm overcomes limitations involving using a potentially inaccurate surrogate model directly in IS calculations. This robust GPAIS algorithm performs surprisingly well on a pathological test function.
C1 [Dalbey, Keith; Swiler, Laura] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Dalbey, K (reprint author), Sandia Natl Labs, POB 5800,MS 0670, Albuquerque, NM 87185 USA.
EM kdalbey@sandia.gov
FU Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in the
Advanced Modeling and Simulation Office in the Nuclear Energy Division
in the US Department of Energy; US Department of Energy's National
Nuclear Security Administration [DE-AC04-94AL85000]
FX This work was sponsored by the Nuclear Energy Advanced Modeling and
Simulation (NEAMS) program in the Advanced Modeling and Simulation
Office in the Nuclear Energy Division in the US Department of Energy.
The authors are grateful to Dr. Brian Williams and Dr. Rick Picard at
Los Alamos National Laboratory for useful technical discussions. Sandia
National Laboratories is a multi-program laboratory managed and operated
by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin
Corporation, for the US Department of Energy's National Nuclear Security
Administration under contract DE-AC04-94AL85000.
NR 15
TC 2
Z9 2
U1 0
U2 4
PU BEGELL HOUSE INC
PI DANBURY
PA 50 NORTH ST, DANBURY, CT 06810 USA
SN 2152-5080
EI 2152-5099
J9 INT J UNCERTAIN QUAN
JI Int. J. Uncertain. Quantif.
PY 2014
VL 4
IS 2
BP 133
EP 149
DI 10.1615/Int.J.UncertaintyQuantification.2013006330
PG 17
WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary
Applications
SC Engineering; Mathematics
GA AR2LZ
UT WOS:000343420000003
ER
PT J
AU Salloum, M
Templeton, J
AF Salloum, Maher
Templeton, Jeremy
TI INFERENCE AND UNCERTAINTY PROPAGATION OF ATOMISTICALLY-INFORMED
CONTINUUM CONSTITUTIVE LAWS, PART 1: BAYESIAN INFERENCE OF FIXED MODEL
FORMS
SO INTERNATIONAL JOURNAL FOR UNCERTAINTY QUANTIFICATION
LA English
DT Article
DE constitutive law; continuum; atomistic; Bayesian inference; uncertainty;
Fourier model; polynomial chaos expansion
ID STOCHASTIC PROJECTION METHOD; MOLECULAR-DYNAMICS; FLUID-FLOW;
SIMULATIONS; SYSTEMS
AB Uncertainty quantification techniques have the potential to play an important role in constructing constitutive relationships applicable to nanoscale physics. At these small scales, deviations from laws appropriate at the macroscale arise due to insufficient scale separation between the atomic and continuum length scales, as well as fluctuations due to thermal processes. In this work, we consider the problem of inferring the coefficients of an assumed constitutive model form using atomistic information and propagation of the associated uncertainty. A nanoscale heat transfer problem is taken as the model, and we use a polynomial chaos expansion to represent the thermal conductivity with a linear temperature dependence. A Bayesian inference method is developed to extract the coefficients in this expansion from molecular dynamics (MD) samples at prescribed temperatures. Importantly, the atomistic data are incompatible with the continuum model because of the finite probability of heat flowing in the opposite direction of the temperature gradient; we present a method to account for this in the model. The fidelity and uncertainty in these techniques are then examined. Validation is provided by comparing a continuum Fourier model against a larger all MD simulation representing the true solution.
C1 [Salloum, Maher; Templeton, Jeremy] Sandia Natl Labs, Livermore, CA 94550 USA.
RP Salloum, M (reprint author), Sandia Natl Labs, 7011 East Ave,MS 9158, Livermore, CA 94550 USA.
EM mnsallo@sandia.gov
FU US Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; Laboratory Directed Research and Development (LDRD)
FX Sandia National Laboratories is a multiprogram 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. This work was
supported by the Laboratory Directed Research and Development (LDRD),
and its support is gratefully acknowledged. The authors would like to
thank Dr. Jon Zimmerman for helpful discussions regarding the extraction
of continuum properties from MD. The authors also thank Dr. Bert
Debusschere for his constructive feedback on the paper, and Dr. Khachik
Sargsyan for providing the software library used for the Rosenblatt
transform.
NR 44
TC 2
Z9 2
U1 0
U2 4
PU BEGELL HOUSE INC
PI DANBURY
PA 50 NORTH ST, DANBURY, CT 06810 USA
SN 2152-5080
EI 2152-5099
J9 INT J UNCERTAIN QUAN
JI Int. J. Uncertain. Quantif.
PY 2014
VL 4
IS 2
BP 151
EP 170
DI 10.1615/Int.J.UncertaintyQuantification.2014008153
PG 20
WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary
Applications
SC Engineering; Mathematics
GA AR2LZ
UT WOS:000343420000004
ER
PT J
AU Salloum, M
Templeton, J
AF Salloum, Maher
Templeton, Jeremy
TI INFERENCE AND UNCERTAINTY PROPAGATION OF ATOMISTICALLY INFORMED
CONTINUUM CONSTITUTIVE LAWS, PART 2: GENERALIZED CONTINUUM MODELS BASED
ON GAUSSIAN PROCESSES
SO INTERNATIONAL JOURNAL FOR UNCERTAINTY QUANTIFICATION
LA English
DT Article
DE constitutive model; Bayesian inference; Gaussian process; uncertainty;
sampling data; continuum model
ID LARGE-EDDY SIMULATION; BAYESIAN-INFERENCE
AB Constitutive models in nanoscience and engineering often poorly represent the physics due to significant deviations in model form from their macroscale counterparts. In Part 1 of this study, this problem was explored by considering a continuum scale heat conduction constitutive law inferred directly from molecular dynamics (MD) simulations. In contrast, this work uses Bayesian inference based on the MD data to construct a Gaussian process emulator of the heat flux as a function of temperature and temperature gradient. No assumption of Fourier-like behavior is made, requiring alternative approaches to assess the well-posedness and accuracy of the emulator. Validation is provided by comparing continuum scale predictions using the emulator model against a larger all-MD simulation representing the true solution. The results show that a Gaussian process emulator of the heat conduction constitutive law produces an empirically unbiased prediction of the continuum scale temperature field for a variety of time scales, which was not observed when Fourier's law is assumed to hold. Finally, uncertainty is propagated in the continuum model and quantified in the temperature field so the impact of errors in the model on continuum quantities can be determined.
C1 [Salloum, Maher; Templeton, Jeremy] Sandia Natl Labs, Livermore, CA 94550 USA.
RP Salloum, M (reprint author), Sandia Natl Labs, 7011 East Ave,MS 9158, Livermore, CA 94550 USA.
EM mnsallo@sandia.gov
FU US Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; Laboratory Directed Research and Development (LDRD)
FX Sandia National Laboratories is a multiprogram 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. This work was
partially supported by the Laboratory Directed Research and Development
(LDRD), and its support is gratefully acknowledged. The authors would
like to thank Jon Zimmerman for helpful discussions regarding the
extraction of continuum properties from MD. The authors also thank Dr.
Khachik Sargsyan and Dr. Laura Swiler for their constructive feedback on
a draft of this paper.
NR 24
TC 2
Z9 2
U1 0
U2 8
PU BEGELL HOUSE INC
PI REDDING
PA 50 CROSS HIGHWAY, REDDING, CT 06896 USA
SN 2152-5080
EI 2152-5099
J9 INT J UNCERTAIN QUAN
JI Int. J. Uncertain. Quantif.
PY 2014
VL 4
IS 2
BP 171
EP 184
DI 10.1615/Int.J.UncertaintyQuantification.2014008154
PG 14
WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary
Applications
SC Engineering; Mathematics
GA AR2LZ
UT WOS:000343420000005
ER
PT J
AU Lin, G
Elizondo, M
Lu, S
Wan, XL
AF Lin, Guang
Elizondo, Marcelo
Lu, Shuai
Wan, Xiaoliang
TI UNCERTAINTY QUANTIFICATION IN DYNAMIC SIMULATIONS OF LARGE-SCALE POWER
SYSTEM MODELS USING THE HIGH-ORDER PROBABILISTIC COLLOCATION METHOD ON
SPARSE GRIDS
SO INTERNATIONAL JOURNAL FOR UNCERTAINTY QUANTIFICATION
LA English
DT Article
DE uncertainty quantification; Monte Carlo method; probabilistic
collocation method; generalized polynomial chaos
ID MONOMIAL CUBATURE RULES; POLYNOMIAL-CHAOS; STATE ESTIMATION;
DECOMPOSITION; COMPILATION; STROUD; WSCC
AB This paper employs a probabilistic collocation method (PCM) to quantify the uncertainties in dynamic simulations of power systems. The approach was tested on a single machine infinite bus system and the over 15,000 -bus Western Electricity Coordinating Council (WECC) system in western North America. Compared to the classic Monte Carlo (MC) method, the PCM applies the Smolyak algorithm to reduce the number of simulations that have to be performed. Therefore, the computational cost can be greatly reduced using PCM. A comparison was made with the MC method on a single machine as well as the WECC system. The simulation results show that by using PCM only a small number of sparse grid points need to be sampled even when dealing with systems with a relatively large number of uncertain parameters.
C1 [Lin, Guang; Elizondo, Marcelo; Lu, Shuai] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Wan, Xiaoliang] Louisiana State Univ, Dept Math, Baton Rouge, LA 70803 USA.
RP Lin, G (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA.
EM kdalbey@sandia.gov
FU Applied Mathematics program of the DOE Office of Advanced Scientific
Computing Research; DOE [DE-AC05-76RL01830]
FX This work was supported by the Applied Mathematics program of the DOE
Office of Advanced Scientific Computing Research. A portion of the
computations was performed using PNNL Institutional Computing cluster
systems, as well as computational resources from the National Energy
Research Scientific Computing Center at Lawrence Berkeley National
Laboratory. PNNL is operated by Battelle for the DOE under Contract
DE-AC05-76RL01830. The authors thank the anonymous reviewers for their
valuable comments and suggestions.
NR 37
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U1 2
U2 4
PU BEGELL HOUSE INC
PI REDDING
PA 50 CROSS HIGHWAY, REDDING, CT 06896 USA
SN 2152-5080
EI 2152-5099
J9 INT J UNCERTAIN QUAN
JI Int. J. Uncertain. Quantif.
PY 2014
VL 4
IS 3
BP 185
EP 204
DI 10.1615/Int.J.UncertaintyQuantification.2013003479
PG 20
WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary
Applications
SC Engineering; Mathematics
GA AR2MA
UT WOS:000343420200001
ER
PT J
AU He, YX
Xia, T
Wang, B
Xiong, W
Wang, JH
AF He, Yongxiu
Xia, Tian
Wang, Bing
Xiong, Wei
Wang, Jianhui
TI Novel cogeneration cost-sharing mechanism for energy savings and
emission reduction in China
SO INTERNATIONAL JOURNAL OF GLOBAL WARMING
LA English
DT Article
DE cogeneration; cost-sharing mechanism; energy saving; emission reduction;
global warming; China
ID CO2 EMISSIONS; ALLOCATION; ELECTRICITY; SYSTEMS; PLANT; POWER;
GENERATION; WATER
AB Cogeneration can improve the efficiency of energy utilisation, improve energy savings and reduce carbon emission. However, China currently suffers unreasonable cogeneration pricing and cost sharing, which has seriously hampered the development of cogeneration power plants. Based on the production process of cogeneration, this paper analyses the principles of thermoelectric cogeneration and energy savings. We research a variety of cost-sharing methods including two attributed to power and another three focused on heat. We then propose a new cost-sharing method to take into account both heating and generation. A real thermal power plant of 600 MW is selected as a case study. Our results show that the reduced condensation losses of heat extraction could have saved 87,088.43 tons of standard coal in 2010, which is equivalent to CO2 emission reductions of 226,430 tons, if the proposed cost-sharing method had been used. Finally, policy suggestions are made to ensure the sustainable development of cogeneration and promote energy savings and emission reduction in China.
C1 [He, Yongxiu; Xia, Tian; Wang, Bing; Xiong, Wei] North China Elect Power Univ, Sch Econ & Management, Beijing 102206, Peoples R China.
[Wang, Jianhui] Argonne Natl Lab, Decis & Informat Sci Div, Argonne, IL 60439 USA.
[Wang, Jianhui] Shanghai Univ Elect Power, Sch Econ & Management, Shanghai, Peoples R China.
RP He, YX (reprint author), North China Elect Power Univ, Sch Econ & Management, Bei Nong Rd 2, Beijing 102206, Peoples R China.
EM heyongxiu@ncepu.edu.cn; wb2jsjj@126.com; bingw1130@126.com;
xw471559631@sina.com; eejhwang@gmail.com
FU National Natural Science Foundation of China [71273089]; Beijing Natural
Science Foundation of China [9122022]
FX The work described in this paper was supported by the National Natural
Science Foundation of China (Grant No. 71273089) and Beijing Natural
Science Foundation of China (Grant No. 9122022).
NR 20
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U1 1
U2 2
PU INDERSCIENCE ENTERPRISES LTD
PI GENEVA
PA WORLD TRADE CENTER BLDG, 29 ROUTE DE PRE-BOIS, CASE POSTALE 856, CH-1215
GENEVA, SWITZERLAND
SN 1758-2083
EI 1758-2091
J9 INT J GLOBAL WARM
JI Int. J. Glob. Warm.
PY 2014
VL 6
IS 1
BP 58
EP 78
DI 10.1504/IJGW.2014.058755
PG 21
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA AR1TZ
UT WOS:000343368800004
ER
PT S
AU Miller, DC
Ng, B
Eslick, J
Tong, C
Chen, Y
AF Miller, David C.
Ng, Brenda
Eslick, John
Tong, Charles
Chen, Yang
BE Eden, MR
Siirola, JD
Towler, GP
TI Advanced Computational Tools for Optimization and Uncertainty
Quantification of Carbon Capture Processes
SO PROCEEDINGS OF THE 8TH INTERNATIONAL CONFERENCE ON FOUNDATIONS OF
COMPUTER-AIDED PROCESS DESIGN
SE Computer Aided Chemical Engineering
LA English
DT Proceedings Paper
CT 8th International Conference on the
Foundations-of-Computer-Aided-Process-Design (FOCAPD)
CY JUL 13-17, 2014
CL Cle Elum, WA
SP US Natl Sci Fdn, AIChE Sustainable Engn Forum, AspenTech, Auburn Univ, Samuel Ginn Coll Engn, Bryan Res & Engn, Eastman Chem Co, Evonik Ind, Honeywell UOP, SimSci Schneider Elect, Fdn Comp Aided Proc Design
DE optimization; uncertainty quantification; carbon capture; heat
integration; process synthesis
ID SIMULATION-BASED OPTIMIZATION; NETWORKS
AB Advanced multi-scale modeling and simulation has the potential to dramatically reduce development time, resulting in considerable cost savings. The Carbon Capture Simulation Initiative (CCSI) is a partnership among national laboratories, industry and universities that is developing, demonstrating, and deploying a suite of multi-scale modeling and simulation tools. One significant computational tool is FOQUS, a Framework for Optimization and Quantification of Uncertainty and Sensitivity, which enables basic data submodels, including thermodynamics and kinetics, to be used within detailed process models to rapidly synthesize and optimize a process and determine the level of uncertainty associated with the resulting process. The overall approach of CCSI is described with a more detailed discussion of FOQUS and its application to carbon capture systems.
C1 [Miller, David C.] US DOE, Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA.
[Ng, Brenda; Tong, Charles] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Eslick, John; Chen, Yang] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA.
RP Miller, DC (reprint author), US DOE, Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA.
EM david.miller@netl.doe.gov
FU United States Government; Neither the United States Government
FX Disclaimer: This paper was prepared as an account of work sponsored by
an agency of the United States Government. Neither the United States
Government nor any agency thereof, nor any of their employees, makes any
warranty, express or implied, or assumes any legal liability or
responsibility for the accuracy, completeness, or usefulness of any
information, apparatus, product, or process disclosed, or represents
that its use would not infringe privately owned rights. Reference herein
to any specific commercial product, process, or service by trade name,
trademark, manufacturer, or otherwise does not necessarily constitute or
imply its endorsement, recommendation, or favoring by the United States
Government or any agency thereof. The views and opinions of authors
expressed herein do not necessarily state or reflect those of the United
States Government or any agency thereof.
NR 23
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PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1570-7946
BN 978-0-444-63442-9; 978-0-444-63433-7
J9 COMPUT-AIDED CHEM EN
PY 2014
VL 34
BP 202
EP 211
PG 10
WC Engineering, Chemical
SC Engineering
GA BB4XV
UT WOS:000343487400021
ER
PT S
AU Zhang, J
Hodge, BM
AF Zhang, Jie
Hodge, Bri-Mathias
BE Eden, MR
Siirola, JD
Towler, GP
TI Forecastability as a Design Criterion in Wind Resource Assessment
SO PROCEEDINGS OF THE 8TH INTERNATIONAL CONFERENCE ON FOUNDATIONS OF
COMPUTER-AIDED PROCESS DESIGN
SE Computer-Aided Chemical Engineering
LA English
DT Proceedings Paper
CT 8th International Conference on the Foundations of Computer-Aided
Process Design (FOCAPD)
CY JUL 13-17, 2014
CL Cle Elum, WA
SP Natl Sci Fdn, AIChE SEF, AspenTech, Auburn Univ, Samuel Ginn Coll Engn, Bryan Res & Engn, Eastman Chem Co, Evonik Ind, Honeywell UOP, SimSci Schneider Elect
DE Wind power plant design; wind forecasting; forecastability; layout
optimization; turbine selection; wind resource assessment; grid
integration
ID MODEL
AB This paper proposes a methodology to include the wind power forecasting ability, or "forecastability," of a site as a design criterion in wind resource assessment and wind power plant design stages. The Unrestricted Wind Farm Layout Optimization (UWFLO) methodology is adopted to maximize the capacity factor of a wind power plant. The 1-hour-ahead persistence wind power forecasting method is used to characterize the forecastability of a potential wind power plant, thereby partially quantifying the integration cost. A trade-off between the maximum capacity factor and the forecastability is investigated.
C1 [Zhang, Jie; Hodge, Bri-Mathias] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Zhang, J (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM bri.mathias.hodge@nrel.gov
NR 14
TC 0
Z9 0
U1 0
U2 0
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1570-7946
BN 978-0-444-63442-9; 978-0-444-63433-7
J9 COMPUT-AIDED CHEM EN
PY 2014
VL 34
BP 663
EP 668
PG 6
WC Engineering, Chemical
SC Engineering
GA BB4XV
UT WOS:000343487400095
ER
PT S
AU Kang, J
Siirola, JD
Laird, CD
AF Kang, Jia
Siirola, John D.
Laird, Carl D.
BE Eden, MR
Siirola, JD
Towler, GP
TI Parallel Solution of Nonlinear Contingency-constrained Network Problems
SO PROCEEDINGS OF THE 8TH INTERNATIONAL CONFERENCE ON FOUNDATIONS OF
COMPUTER-AIDED PROCESS DESIGN
SE Computer Aided Chemical Engineering
LA English
DT Proceedings Paper
CT 8th International Conference on the
Foundations-of-Computer-Aided-Process-Design (FOCAPD)
CY JUL 13-17, 2014
CL Cle Elum, WA
SP US Natl Sci Fdn, AIChE Sustainable Engn Forum, AspenTech, Auburn Univ, Samuel Ginn Coll Engn, Bryan Res & Engn, Eastman Chem Co, Evonik Ind, Honeywell UOP, SimSci Schneider Elect, Fdn Comp Aided Proc Design
DE ACOPF; contingency-constrained; parallel computing; interior-point
methods
AB This paper presents a nonlinear stochastic programming formulation for a large-scale contingency-constrained optimal power flow problem. Using a rectangular IV formulation to model AC power flow in the transmission network, we construct a nonlinear, multi-scenario optimization formulation where each scenario considers failure of an individual transmission element. Given the number of potential failures in the network, these problems are very large; yet need to be solved rapidly. In this paper, we demonstrate that this multi-scenario problem can be solved quickly using a parallel decomposition approach based on nonlinear interior-point methods. Parallel and serial timing results are shown using a test example from Matpower, a MATLAB-based framework for power flow.
C1 [Kang, Jia] Texas A&M Univ, Dept Chem Engn, 3122 TAMU, College Stn, TX 77843 USA.
[Siirola, John D.] Sandia Natl Labs, Analyt Dept, Albuquerque, NM 87185 USA.
[Laird, Carl D.] Purdue Univ, Sch Chem Engn, W Lafayette, IN 47906 USA.
RP Kang, J (reprint author), Texas A&M Univ, Dept Chem Engn, 3122 TAMU, College Stn, TX 77843 USA.
EM carllaird@purdue.edu
FU National Science Foundation Cyber- Enabled Discovery and Innovation
(CDI)-Type II; National Science Foundation [0955205]; U. S. Department
of Energy's National Nuclear Security Administration [DE-AC04-94AL85000,
SAND2014-3234C]
FX We appreciate the financial support provided to Jia Kang by the National
Science Foundation Cyber- Enabled Discovery and Innovation (CDI)-Type
II, and the partial financial support provided to Carl Laird by the
National Science Foundation (CAREER Grant CBET# 0955205). 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.
(SAND2014-3234C)
NR 21
TC 1
Z9 1
U1 0
U2 1
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1570-7946
BN 978-0-444-63442-9; 978-0-444-63433-7
J9 COMPUT-AIDED CHEM EN
PY 2014
VL 34
BP 705
EP 710
PG 6
WC Engineering, Chemical
SC Engineering
GA BB4XV
UT WOS:000343487400102
ER
PT S
AU Liu, Y
Gracia, JR
King, TJ
Liu, YL
AF Liu, Yong
Gracia, J. R.
King, T. J.
Liu, Yilu
BE Hossain, J
Mahmud, A
TI Contribution of Variable-Speed Wind Generators to Frequency Regulation
and Oscillation Damping in the United States Eastern Interconnection
SO RENEWABLE ENERGY INTEGRATION: CHALLENGES AND SOLUTIONS
SE Green Energy and Technology
LA English
DT Article; Book Chapter
DE Eastern interconnection; Fast active power control; Frequency
regulation; Inter-area oscillation damping; Variable-speed wind
generation
ID POWER-SYSTEM OSCILLATIONS; TURBINES
AB The United States Eastern Interconnection (EI) has been going through some profound changes due to the increasing penetration of wind power in this bulk grid, including the worsening of the frequency response and inter-area oscillation. However, the fast response speed of electronics devices makes it possible that the kinetic energy stored and/or wind power reserve (if it exists) in variable-speed wind generators could be injected into the power grid in a fast manner. This portion of fast-injected active power could contribute to frequency regulation or oscillation damping of the EI significantly if implemented with appropriate control schemes. In this chapter, a user-defined wind electrical control model with fast active power controllers is built in PSS (R) E. Then, based on the 16,000-bus EI system dynamic model, the potential contributions of variable-speed wind generators to the EI frequency regulation and oscillation damping are evaluated respectively. Simulation results have demonstrated that current and future penetrations of wind generation are promising in providing frequency regulation and oscillation damping in the EI.
C1 [Liu, Yong; Liu, Yilu] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA.
[Gracia, J. R.; King, T. J.; Liu, Yilu] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN USA.
RP Liu, Y (reprint author), Univ Tennessee, Dept Elect Engn & Comp Sci, 1520 Middle Dr, Knoxville, TN 37996 USA.
EM yliu66@utk.edu; graciajr@ornl.gov; kingtjjr@ornl.gov; liu@utk.edu
OI Liu, Yilu/0000-0002-6707-9062
NR 27
TC 0
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U1 0
U2 0
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 1865-3529
BN 978-981-4585-27-9; 978-981-4585-26-2
J9 GREEN ENERGY TECHNOL
PY 2014
BP 169
EP 188
DI 10.1007/978-981-4585-27-9_8
D2 10.1007/978-981-4585-27-9
PG 20
WC Energy & Fuels; Engineering, Electrical & Electronic
SC Energy & Fuels; Engineering
GA BB3TF
UT WOS:000343043500009
ER
PT J
AU Bunn, M
Anadon, LD
Narayanamurti, V
AF Bunn, Matthew
Anadon, Laura Diaz
Narayanamurti, Venkatesh
BE Anadon, LD
Bunn, M
Narayanamurti, V
TI The Need to Transform US Energy Innovation
SO TRANSFORMING U.S. ENERGY INNOVATION
LA English
DT Article; Book Chapter
ID RESEARCH-AND-DEVELOPMENT; POLICIES
C1 [Bunn, Matthew; Anadon, Laura Diaz] Harvard Univ, John F Kennedy Sch Govt, Cambridge, MA 02138 USA.
[Bunn, Matthew] White House Off Sci & Technol Policy, Washington, DC USA.
[Bunn, Matthew] Natl Acad Sci, Washington, DC USA.
[Bunn, Matthew; Narayanamurti, Venkatesh] US DOE, Nucl Energy Advisory Comm, Washington, DC 20585 USA.
[Anadon, Laura Diaz] Belfer Ctr Sci & Int Affairs, Sci Technol & Publ Policy Program, Cambridge, MA USA.
[Narayanamurti, Venkatesh] Harvard Univ, Cambridge, MA 02138 USA.
[Narayanamurti, Venkatesh] Bell Labs, Solid State Elect Res Lab, Murray Hill, NJ USA.
[Narayanamurti, Venkatesh] Sandia Natl Labs, Res & Exploratory Technol, Livermore, CA 94550 USA.
[Narayanamurti, Venkatesh] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA.
[Narayanamurti, Venkatesh] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA.
RP Bunn, M (reprint author), Harvard Univ, John F Kennedy Sch Govt, Cambridge, MA 02138 USA.
NR 85
TC 0
Z9 0
U1 0
U2 0
PU CAMBRIDGE UNIV PRESS
PI CAMBRIDGE
PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND
BN 978-1-107-04371-8
PY 2014
BP 1
EP 35
D2 10.1017/CBO9781107338890
PG 35
WC Environmental Studies; Public Administration
SC Environmental Sciences & Ecology; Public Administration
GA BB3TE
UT WOS:000343043300001
ER
PT J
AU Logar, N
Narayanamurti, V
Anadon, LD
AF Logar, Nathaniel
Narayanamurti, Venkatesh
Anadon, Laura Diaz
BE Anadon, LD
Bunn, M
Narayanamurti, V
TI Reforming US Energy Innovation Institutions: Maximizing the Return on
Investment
SO TRANSFORMING U.S. ENERGY INNOVATION
LA English
DT Article; Book Chapter
ID POLICY; SCIENCE; DEMAND
C1 [Narayanamurti, Venkatesh] Harvard Univ, Cambridge, MA 02138 USA.
[Narayanamurti, Venkatesh] Bell Labs, Solid State Elect Res Lab, Murray Hill, NJ USA.
[Narayanamurti, Venkatesh] Sandia Natl Labs, Livermore, CA 94550 USA.
[Narayanamurti, Venkatesh] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA.
[Narayanamurti, Venkatesh] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA.
[Narayanamurti, Venkatesh] US DOE, Washington, DC USA.
[Anadon, Laura Diaz] Harvard Univ, John F Kennedy Sch Govt, Cambridge, MA 02138 USA.
[Anadon, Laura Diaz] Belfer Ctr Sci & Int Affairs, Sci Technol & Publ Policy Program, Cambridge, MA USA.
[Anadon, Laura Diaz] Bayer Pharmaceut, Montville, NJ USA.
[Anadon, Laura Diaz] Johnson Matthey Catalysts, Cleveland, England.
NR 45
TC 0
Z9 0
U1 0
U2 0
PU CAMBRIDGE UNIV PRESS
PI CAMBRIDGE
PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND
BN 978-1-107-04371-8
PY 2014
BP 81
EP 124
D2 10.1017/CBO9781107338890
PG 44
WC Environmental Studies; Public Administration
SC Environmental Sciences & Ecology; Public Administration
GA BB3TE
UT WOS:000343043300003
ER
PT J
AU Jones, C
Anadon, LD
Narayanamurti, V
AF Jones, Charles
Anadon, Laura Diaz
Narayanamurti, Venkatesh
BE Anadon, LD
Bunn, M
Narayanamurti, V
TI Encouraging Private Sector Energy Technology Innovation and
Public-Private Cooperation
SO TRANSFORMING U.S. ENERGY INNOVATION
LA English
DT Article; Book Chapter
ID RESEARCH-AND-DEVELOPMENT; STRATEGIC RESEARCH PARTNERSHIPS; TECHNICAL
CHANGE; MARKET FAILURES; POLICY; INVESTMENT; KNOWLEDGE; SUCCESS
C1 [Anadon, Laura Diaz] Harvard Univ, John F Kennedy Sch Govt, Cambridge, MA 02138 USA.
[Anadon, Laura Diaz] Belfer Ctr Sci & Int Affairs, Sci Technol & Publ Policy Program, Cambridge, MA USA.
[Anadon, Laura Diaz] Bayer Pharmaceut, Montville, NJ USA.
[Anadon, Laura Diaz] Johnson Matthey Catalysts, Cleveland, England.
[Narayanamurti, Venkatesh] Harvard Univ, Cambridge, MA 02138 USA.
[Narayanamurti, Venkatesh] Bell Labs, Solid State Elect Res Lab, Murray Hill, NJ USA.
[Narayanamurti, Venkatesh] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA.
[Narayanamurti, Venkatesh] Harvard Univ, Natl Acad Engn, Cambridge, MA 02138 USA.
[Narayanamurti, Venkatesh] US DOE, Inertial Confinement Fusion Advisory Comm, Washington, DC 20585 USA.
NR 88
TC 0
Z9 0
U1 0
U2 0
PU CAMBRIDGE UNIV PRESS
PI CAMBRIDGE
PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND
BN 978-1-107-04371-8
PY 2014
BP 125
EP 168
D2 10.1017/CBO9781107338890
PG 44
WC Environmental Studies; Public Administration
SC Environmental Sciences & Ecology; Public Administration
GA BB3TE
UT WOS:000343043300004
ER
PT J
AU Anadon, LD
Narayanamurti, V
Bunn, M
AF Anadon, Laura Diaz
Narayanamurti, Venkatesh
Bunn, Matthew
BE Anadon, LD
Bunn, M
Narayanamurti, V
TI Transforming US Energy Innovation: How Do We Get There?
SO TRANSFORMING U.S. ENERGY INNOVATION
LA English
DT Article; Book Chapter
ID POLICIES; CHINA
C1 [Anadon, Laura Diaz; Bunn, Matthew] Harvard Univ, John F Kennedy Sch Govt, Cambridge, MA 02138 USA.
[Anadon, Laura Diaz] Belfer Ctr Sci & Int Affairs, Sci Technol & Publ Policy Program, Cambridge, MA USA.
[Anadon, Laura Diaz] Bayer Pharmaceut, Montville, NJ USA.
[Anadon, Laura Diaz] Johnson Matthey Catalysts, Cleveland, England.
[Anadon, Laura Diaz] Int Energy Agcy, Accelerating Energy Innovat Project, Paris, France.
[Narayanamurti, Venkatesh] Harvard Univ, Cambridge, MA 02138 USA.
[Narayanamurti, Venkatesh] Bell Labs, Solid State Elect Res Lab, Murray Hill, NJ USA.
[Narayanamurti, Venkatesh] Sandia Natl Labs, Livermore, CA 94550 USA.
[Narayanamurti, Venkatesh] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA.
[Narayanamurti, Venkatesh] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA.
[Narayanamurti, Venkatesh] US DOE, Inertial Confinement Fusion Advisory Comm, Washington, DC 20585 USA.
[Bunn, Matthew] White House Off Sci & Technol Policy, Washington, DC USA.
[Bunn, Matthew] Natl Acad Sci, Washington, DC USA.
[Bunn, Matthew] Amer Assoc Advancement Sci, Washington, DC USA.
[Bunn, Matthew] US DOE, Nucl Energy Advisory Comm, Washington, DC 20585 USA.
RP Anadon, LD (reprint author), Harvard Univ, John F Kennedy Sch Govt, Cambridge, MA 02138 USA.
NR 30
TC 0
Z9 0
U1 0
U2 0
PU CAMBRIDGE UNIV PRESS
PI CAMBRIDGE
PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND
BN 978-1-107-04371-8
PY 2014
BP 216
EP 231
D2 10.1017/CBO9781107338890
PG 16
WC Environmental Studies; Public Administration
SC Environmental Sciences & Ecology; Public Administration
GA BB3TE
UT WOS:000343043300006
ER
PT S
AU Bernacki, B
Schweppe, J
Stave, S
Jordan, D
Kulisek, J
Stewart, T
Seifert, C
AF Bernacki, Bruce
Schweppe, John
Stave, Sean
Jordan, David
Kulisek, Jonathan
Stewart, Trevor
Seifert, Carolyn
BE VelezReyes, M
Kruse, FA
TI Estimating radiological background using imaging spectroscopy
SO ALGORITHMS AND TECHNOLOGIES FOR MULTISPECTRAL, HYPERSPECTRAL, AND
ULTRASPECTRAL IMAGERY XX
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT 20th SPIE Conference on Algorithms and Technologies for Multispectral,
Hyperspectral, and Ultraspectral Imagery
CY MAY 05-07, 2014
CL Baltimore, MD
SP SPIE
DE imaging spectroscopy; background radiation estimation; naturally
occurring radioactive material
AB Optical imaging spectroscopy is investigated as a method to estimate radiological background by spectral identification of soils, sediments, rocks, minerals and building materials derived from natural materials and assigning tabulated radiological emission values to these materials. Radiological airborne surveys are undertaken by local, state and federal agencies to identify the presence of radiological materials out of regulatory compliance. Detection performance in such surveys is determined by (among other factors) the uncertainty in the radiation background; increased knowledge of the expected radiation background will improve the ability to detect low-activity radiological materials. Radiological background due to naturally occurring radiological materials (NORM) can be estimated by reference to previous survey results, use of global K-40, U-238, and Th-232 (KUT) values, reference to existing USGS radiation background maps, or by a moving average of the data as it is acquired. Each of these methods has its drawbacks: previous survey results may not include recent changes, the global average provides only a zero-order estimate, the USGS background radiation map resolutions are coarse and are accurate only to 1 km - 25 km sampling intervals depending on locale, and a moving average may essentially low pass filter the data to obscure small changes in radiation counts. Imaging spectroscopy from airborne or spaceborne platforms can offer higher resolution identification of materials and background, as well as provide imaging context information. AVIRIS hyperspectral image data is analyzed using commercial exploitation software to determine the usefulness of imaging spectroscopy to identify qualitative radiological background emissions when compared to airborne radiological survey data.
C1 [Bernacki, Bruce; Schweppe, John; Stave, Sean; Jordan, David; Kulisek, Jonathan; Stewart, Trevor; Seifert, Carolyn] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Bernacki, B (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA.
EM bruce.bernacki@pnnl.gov
NR 14
TC 0
Z9 0
U1 0
U2 2
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-025-9
J9 PROC SPIE
PY 2014
VL 9088
AR 90880L
DI 10.1117/12.2051049
PG 8
WC Engineering, Electrical & Electronic; Optics
SC Engineering; Optics
GA BB4BH
UT WOS:000343126000017
ER
PT S
AU Myers, TL
Brauer, CS
Su, YF
Blake, TA
Johnson, TJ
Richardson, RL
AF Myers, Tanya L.
Brauer, Carolyn S.
Su, Yin-Fong
Blake, Thomas A.
Johnson, Timothy J.
Richardson, Robert L.
BE VelezReyes, M
Kruse, FA
TI The Influence of Particle Size on Infrared Reflectance Spectra
SO ALGORITHMS AND TECHNOLOGIES FOR MULTISPECTRAL, HYPERSPECTRAL, AND
ULTRASPECTRAL IMAGERY XX
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT 20th SPIE Conference on Algorithms and Technologies for Multispectral,
Hyperspectral, and Ultraspectral Imagery
CY MAY 05-07, 2014
CL Baltimore, MD
SP SPIE
DE Infrared reflectance spectra; particle size; FTIR; integrating sphere;
solids
ID PARTICULATE SURFACES; MU-M; SCATTERING; EMISSION
AB Reflectance spectra of solids are influenced by the absorption coefficient and index of refraction as well as particle size and morphology. In the infrared, spectral features may be observed as either maxima or minima in general, the upwardgoing peaks in the reflectance spectrum result from surface scattering, which are rays that have reflected from the surface without penetration, whereas downward-going peaks result from either absorption or volume scattering, i.e. rays that have penetrated into the sample to be absorbed or refracted into the sample interior and are not reflected. The light signal reflected from solids usually encompasses all these effects which include dependencies on particle size, morphology and sample density. This paper measures the reflectance spectra in the 1.3 16 micron range for various bulk materials that have a combination of strong and weak absorption bands in order to understand the effects on the spectral features as a function of the mean grain size of the sample. The bulk materials were ground and sieved to separate the samples into various size fractions: 0-45, 45-90, 90-180, 180-250, 250-500, and >500 microns. The directional-hemispherical spectra were recorded using a Fourier transform infrared spectrometer equipped with an integrating sphere to measure the reflectance for all of the particle-size fractions. We have studied both organic and inorganic materials, but this paper focuses on inorganic salts, NaNO3, in particular. Our studies clearly show that particle size has an enormous influence on the measured reflectance spectra for bulk materials and that successful identification requires sufficient representative reflectance data so as to include the particle size(s) of interest. Origins of the effects are discussed.
C1 [Myers, Tanya L.; Brauer, Carolyn S.; Su, Yin-Fong; Blake, Thomas A.; Johnson, Timothy J.] Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA.
[Richardson, Robert L.] Patrick, Air Force Base, FL 32925 USA.
RP Myers, TL (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA.
EM Tanya.Myers@pnnl.gov
FU U.S. Department of Energy (DOE) [DE-AC05-76RL01830]; U.S. DOE, National
Nuclear Security Administration (NNSA) Office of Nonproliferation and
Verification Research and Development [NA22]
FX The Pacific Northwest National Laboratory is operated for the U.S.
Department of Energy (DOE) by the Battelle Memorial Institute under
Contract No. DE-AC05-76RL01830. This work was supported by the U.S. DOE,
National Nuclear Security Administration (NNSA) Office of
Nonproliferation and Verification Research and Development (NA22), as
well as other sponsors.
NR 15
TC 4
Z9 4
U1 0
U2 1
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-025-9
J9 PROC SPIE
PY 2014
VL 9088
AR UNSP 908809
DI 10.1117/12.2053350
PG 8
WC Engineering, Electrical & Electronic; Optics
SC Engineering; Optics
GA BB4BH
UT WOS:000343126000008
ER
PT S
AU Tervo, R
Hawks, M
Perram, G
Fickus, M
AF Tervo, Ryan
Hawks, Michael
Perram, Glen
Fickus, Matthew
BE VelezReyes, M
Kruse, FA
TI Effects of optical aberration on chromotomographic image reconstruction
SO ALGORITHMS AND TECHNOLOGIES FOR MULTISPECTRAL, HYPERSPECTRAL, AND
ULTRASPECTRAL IMAGERY XX
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT 20th SPIE Conference on Algorithms and Technologies for Multispectral,
Hyperspectral, and Ultraspectral Imagery
CY MAY 05-07, 2014
CL Baltimore, MD
SP SPIE
DE hyperspectral imaging; imaging spectrometer; chromotomography;
chromotomosynthesis; Zemax
AB Chromotomography is a form of hyperspectral imaging that utilizes a spinning diffractive element to resolve a rapidly evolving scene. The system captures both spatial dimensions and the spectral dimension at the same time. Advanced algorithms take the recorded dispersed images and use them to construct the data cube in which each reconstructed image is the recorded scene at a specific wavelength. A simulation tool has been developed which uses Zemax to accurately trace rays through real or proposed optical systems. The simulation is used here to explore the limitations of tomographic reconstruction in both idealized and aberrated imaging systems. Results of the study show the accuracy of reconstructed images depends upon the content of the original target scene, the number of projections measured, and the angle through which the prism is rotated. For cases studied here, 20 projections are sufficient to achieve image quality 99.5 +/- 1% of the max value. Reconstructed image quality degrades with aberrations, but no worse than equivalent conventional imagers.
C1 [Tervo, Ryan; Hawks, Michael; Perram, Glen] Air Force Inst Technol, Dept Engn Phys, 2950 Hobson Way, Wright Patterson AFB, OH 45433 USA.
[Fickus, Matthew] Air Force Inst Technol, Dept Math & Stat, Wright Patterson AFB, OH 45433 USA.
[Hawks, Michael] Oak Ridge Inst Sci & Educ, Belcamp, MD 21017 USA.
RP Tervo, R (reprint author), Air Force Inst Technol, Dept Engn Phys, 2950 Hobson Way, Wright Patterson AFB, OH 45433 USA.
EM michael.hawks@afit.edu
NR 8
TC 0
Z9 0
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-025-9
J9 PROC SPIE
PY 2014
VL 9088
AR UNSP 908817
DI 10.1117/12.2050353
PG 11
WC Engineering, Electrical & Electronic; Optics
SC Engineering; Optics
GA BB4BH
UT WOS:000343126000036
ER
PT S
AU Theiler, J
AF Theiler, James
BE VelezReyes, M
Kruse, FA
TI Transductive and Matched-Pair Machine Learning for Difficult Target
Detection Problems
SO ALGORITHMS AND TECHNOLOGIES FOR MULTISPECTRAL, HYPERSPECTRAL, AND
ULTRASPECTRAL IMAGERY XX
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT 20th SPIE Conference on Algorithms and Technologies for Multispectral,
Hyperspectral, and Ultraspectral Imagery
CY MAY 05-07, 2014
CL Baltimore, MD
SP SPIE
DE machine learning; target detection; transductive; matched-pair
ID HYPERSPECTRAL IMAGERY; CONTINUUM FUSION; PLUMES
AB This paper will describe the application of two non-traditional kinds of machine learning (transductive machine learning and the more recently proposed matched-pair machine learning) to the target detection problem. The approach combines explicit domain knowledge to model the target signal with a more agnostic machine-learning approach to characterize the background. The concept is illustrated with simulated data from an elliptically-contoured background distribution, on which a subpixel target of known spectral signature but unknown spatial extent has been implanted.
C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Theiler, J (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM jt@lanl.gov
NR 39
TC 2
Z9 2
U1 0
U2 2
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-025-9
J9 PROC SPIE
PY 2014
VL 9088
AR 90880E
DI 10.1117/12.2048860
PG 9
WC Engineering, Electrical & Electronic; Optics
SC Engineering; Optics
GA BB4BH
UT WOS:000343126000012
ER
PT J
AU Pavlovic, J
Kinsey, JS
Hays, MD
AF Pavlovic, J.
Kinsey, J. S.
Hays, M. D.
TI The influence of temperature calibration on the OC-EC results from a
dual-optics thermal carbon analyzer
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID SOURCE APPORTIONMENT; ELEMENTAL CARBON; SOURCE PROFILES; FINE PARTICLES;
IMPROVE; PM2.5; REFLECTANCE; WASHINGTON; FRACTIONS; AEROSOLS
AB Thermal-optical analysis (TOA) is a widely used technique that fractionates carbonaceous aerosol particles into organic and elemental carbon (OC and EC), or carbonate. Thermal sub-fractions of evolved OC and EC are also used for source identification and apportionment; thus, oven temperature accuracy during TOA analysis is essential. Evidence now indicates that the "actual" sample (filter) temperature and the temperature measured by the built-in oven thermocouple (or set-point temperature) can differ by as much as 50 degrees C. This difference can affect the OC-EC split point selection and consequently the OC and EC fraction and sub-fraction concentrations being reported, depending on the sample composition and in-use TOA method and instrument. The present study systematically investigates the influence of an oven temperature calibration procedure for TOA. A dual-optical carbon analyzer that simultaneously measures transmission and reflectance (TOT and TOR) is used, functioning under the conditions of both the National Institute of Occupational Safety and Health Method 5040 (NIOSH) and Interagency Monitoring of Protected Visual Environment (IMPROVE) protocols. The application of the oven calibration procedure to our dual-optics instrument significantly changed NIOSH 5040 carbon fractions (OC and EC) and the IMPROVE OC fraction. In addition, the well-known OC-EC split difference between NIOSH and IMPROVE methods is even further perturbed following the instrument calibration. Further study is needed to determine if the widespread application of this oven temperature calibration procedure will indeed improve accuracy and our ability to compare among carbonaceous aerosol studies that use TOA.
C1 [Pavlovic, J.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA.
[Kinsey, J. S.; Hays, M. D.] US EPA, Off Res & Dev, Natl Risk Management Res Lab, Res Triangle Pk, NC 27711 USA.
RP Kinsey, JS (reprint author), US EPA, Off Res & Dev, Natl Risk Management Res Lab, Res Triangle Pk, NC 27711 USA.
EM kinsey.john@epa.gov
RI Hays, Michael/E-6801-2013
OI Hays, Michael/0000-0002-4029-8660
FU Oak Ridge Institute for Science and Education under US Environmental
Protection Agency
FX The authors would like to acknowledge the Oak Ridge Institute for
Science and Education for supporting this research under contract with
US Environmental Protection Agency. The conclusions are those of the
authors and do not necessary reflect the views of the supporting
agencies. The authors wish to thank Sunset Laboratory, Inc.,
Hillsborough, NC for assisting with the temperature calibration and
David Smith, who provided valuable information about the instrument and
calibration procedure.
NR 27
TC 3
Z9 3
U1 3
U2 10
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1867-1381
EI 1867-8548
J9 ATMOS MEAS TECH
JI Atmos. Meas. Tech.
PY 2014
VL 7
IS 9
BP 2829
EP 2838
DI 10.5194/amt-7-2829-2014
PG 10
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AQ8WR
UT WOS:000343119600003
ER
PT J
AU Inoue, M
Morino, I
Uchino, O
Miyamoto, Y
Saeki, T
Yoshida, Y
Yokota, T
Sweeney, C
Tans, PP
Biraud, SC
Machida, T
Pittman, JV
Kort, EA
Tanaka, T
Kawakami, S
Sawa, Y
Tsuboi, K
Matsueda, H
AF Inoue, M.
Morino, I.
Uchino, O.
Miyamoto, Y.
Saeki, T.
Yoshida, Y.
Yokota, T.
Sweeney, C.
Tans, P. P.
Biraud, S. C.
Machida, T.
Pittman, J. V.
Kort, E. A.
Tanaka, T.
Kawakami, S.
Sawa, Y.
Tsuboi, K.
Matsueda, H.
TI Validation of XCH4 derived from SWIR spectra of GOSAT TANSO-FTS with
aircraft measurement data
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID FOURIER-TRANSFORM SPECTROMETER; GASES OBSERVING SATELLITE; ATMOSPHERIC
METHANE; TROPOSPHERIC METHANE; CARBON-DIOXIDE; RETRIEVAL ALGORITHM;
COMMERCIAL AIRLINES; INFRARED-SPECTRA; CH4 MEASUREMENTS; MOLE FRACTIONS
AB Column-averaged dry-air mole fractions of methane (XCH4), retrieved from Greenhouse gases Observing SATellite (GOSAT) short-wavelength infrared (SWIR) spectra, were validated by using aircraft measurement data from the National Oceanic and Atmospheric Administration (NOAA), the US Department of Energy (DOE), the National Institute for Environmental Studies (NIES), the HIAPER Pole-to-Pole Observations (HIPPO) program, and the GOSAT validation aircraft observation campaign over Japan. In the calculation of XCH4 from aircraft measurements (aircraft-based XCH4), other satellite data were used for the CH4 profiles above the tropopause. We proposed a data-screening scheme for aircraft-based XCH4 for reliable validation of GOSAT XCH4. Further, we examined the impact of GOSAT SWIR column averaging kernels (CAK) on the aircraft-based XCH4 calculation and found that the difference between aircraft-based XCH4 with and without the application of the GOSAT CAK was less than +/- 9 ppb at maximum, with an average difference of -0.5 ppb. We compared GOSAT XCH4 Ver. 02.00 data retrieved within +/- 2 degrees or +/- 5 degrees latitude-longitude boxes centered at each aircraft measurement site with aircraft-based XCH4 measured on a GOSAT overpass day. In general, GOSAT XCH4 was in good agreement with aircraft-based XCH4. However, over land, the GOSAT data showed a positive bias of 1.5 ppb (2.0 ppb) with a standard deviation of 14.9 ppb (16.0 ppb) within the +/- 2 degrees (+/- 5 degrees) boxes, and over ocean, the average bias was 4.1 ppb (6.5 ppb) with a standard deviation of 9.4 ppb (8.8 ppb) within the +/- 2 degrees (+/- 5 degrees) boxes. In addition, we obtained similar results when we used an aircraft-based XCH4 time series obtained by curve fitting with temporal interpolation for comparison with GOSAT data.
C1 [Inoue, M.; Morino, I.; Uchino, O.; Saeki, T.; Yoshida, Y.; Yokota, T.; Machida, T.; Tanaka, T.] Natl Inst Environm Studies, Tsukuba, Ibaraki, Japan.
[Miyamoto, Y.] Okayama Univ, Grad Sch Nat Sci & Technol, Okayama 7008530, Japan.
[Sweeney, C.; Tans, P. P.] NOAA, Boulder, CO USA.
[Biraud, S. C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Pittman, J. V.] Harvard Univ, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA.
[Kort, E. A.] CALTECH, Jet Prop Lab, Pasadena, CA USA.
[Kawakami, S.] Japan Aerosp Explorat Agcy JAXA, Tsukuba, Ibaraki, Japan.
[Sawa, Y.; Tsuboi, K.; Matsueda, H.] Meteorol Res Inst, Tsukuba, Ibaraki 305, Japan.
RP Inoue, M (reprint author), Natl Inst Environm Studies, Tsukuba, Ibaraki, Japan.
EM inoue.makoto@nies.go.jp
RI Morino, Isamu/K-1033-2014; Kort, Eric/F-9942-2012; Inoue,
Makoto/M-8505-2014; Biraud, Sebastien/M-5267-2013
OI Morino, Isamu/0000-0003-2720-1569; Kort, Eric/0000-0003-4940-7541;
Inoue, Makoto/0000-0002-6826-5334; Biraud, Sebastien/0000-0001-7697-933X
FU Office of Biological and Environmental Research of the US Department of
Energy [DE-AC02-05CH11231]; National Science Foundation (NSF); Canadian
Space Agency (CSA); Ministry of the Environment, Japan [2A-1102]
FX DOE flights were supported by the Office of Biological and Environmental
Research of the US Department of Energy under contract no.
DE-AC02-05CH11231 as part of the Atmospheric Radiation Measurement
Program (ARM), ARM Aerial Facility, and Terrestrial Ecosystem Science
Program. We also thank the HIPPO team members for CH4 profile
data from HIPPO missions and Steven C. Wofsy at Harvard University for
helpful suggestions. The HIPPO program is supported by the National
Science Foundation (NSF), and its operations are managed by the Earth
Observing Laboratory (EOL) of the National Center for Atmospheric
Research (NCAR). We also acknowledge the Canadian Space Agency (CSA),
which provides most funding support for ACE. We are grateful to the
HALOE team for publishing their data for scientific use. TCCON data were
obtained from the TCCON Data Archive, operated by the California
Institute of Technology (http://tccon.ipac.caltech.edu/). US support for
TCCON retrieval software and the development of these data comes from
NASA's Carbon Cycle Science Program and NASA's OCO-2 project. We are
grateful to the DOE ARM program for technical support in Lamont and Jeff
Ayers for technical support in Park Falls. This research was supported
in part by the Environment Research and Technology Development Fund
(2A-1102) of the Ministry of the Environment, Japan.
NR 59
TC 9
Z9 9
U1 0
U2 14
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1867-1381
EI 1867-8548
J9 ATMOS MEAS TECH
JI Atmos. Meas. Tech.
PY 2014
VL 7
IS 9
BP 2987
EP 3005
DI 10.5194/amt-7-2987-2014
PG 19
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AQ8WR
UT WOS:000343119600014
ER
PT J
AU Sawamura, P
Muller, D
Hoff, RM
Hostetler, CA
Ferrare, RA
Hair, JW
Rogers, RR
Anderson, BE
Ziemba, LD
Beyersdorf, AJ
Thornhill, KL
Winstead, EL
Holben, BN
AF Sawamura, P.
Mueller, D.
Hoff, R. M.
Hostetler, C. A.
Ferrare, R. A.
Hair, J. W.
Rogers, R. R.
Anderson, B. E.
Ziemba, L. D.
Beyersdorf, A. J.
Thornhill, K. L.
Winstead, E. L.
Holben, B. N.
TI Aerosol optical and microphysical retrievals from a hybrid
multiwavelength lidar data set - DISCOVER-AQ 2011
SO ATMOSPHERIC MEASUREMENT TECHNIQUES
LA English
DT Article
ID SINGLE-SCATTERING ALBEDO; SKY RADIANCE MEASUREMENTS; RAMAN-LIDAR;
PARTICLE PARAMETERS; RELATIVE-HUMIDITY; TROPOSPHERIC AEROSOL; IN-SITU;
HYGROSCOPIC GROWTH; LINEAR-ESTIMATION; ASIAN DUST
AB Retrievals of aerosol microphysical properties (effective radius, volume and surface-area concentrations) and aerosol optical properties (complex index of refraction and single-scattering albedo) were obtained from a hybrid multiwavelength lidar data set for the first time. In July 2011, in the Baltimore-Washington DC region, synergistic profiling of optical and microphysical properties of aerosols with both airborne (in situ and remote sensing) and ground-based remote sensing systems was performed during the first deployment of DISCOVER-AQ. The hybrid multiwavelength lidar data set combines ground-based elastic backscatter lidar measurements at 355 nm with airborne High-Spectral-Resolution Lidar (HSRL) measurements at 532 nm and elastic backscatter lidar measurements at 1064 nm that were obtained less than 5 km apart from each other. This was the first study in which optical and microphysical retrievals from lidar were obtained during the day and directly compared to AERONET and in situ measurements for 11 cases. Good agreement was observed between lidar and AERONET retrievals. Larger discrepancies were observed between lidar retrievals and in situ measurements obtained by the aircraft and aerosol hygroscopic effects are believed to be the main factor in such discrepancies.
C1 [Sawamura, P.; Hostetler, C. A.; Ferrare, R. A.; Hair, J. W.; Rogers, R. R.; Anderson, B. E.; Ziemba, L. D.; Beyersdorf, A. J.; Thornhill, K. L.; Winstead, E. L.] NASA, Langley Res Ctr, Hampton, VA 23681 USA.
[Sawamura, P.; Hoff, R. M.] Univ Maryland Baltimore Cty, Baltimore, MD 21250 USA.
[Mueller, D.] Univ Hertfordshire, Hatfield AL10 9AB, Herts, England.
[Holben, B. N.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA.
[Sawamura, P.] Oak Ridge Associated Univ, Oak Ridge, TN 37831 USA.
RP Sawamura, P (reprint author), NASA, Langley Res Ctr, Hampton, VA 23681 USA.
EM patricia.sawamura@nasa.gov
RI MUELLER, DETLEF/F-1010-2015
OI MUELLER, DETLEF/0000-0002-0203-7654
FU NASA DISCOVER-AQ [NNX10AR38G]
FX This work was funded by grant NNX10AR38G (NASA DISCOVER-AQ).
NR 67
TC 1
Z9 1
U1 2
U2 12
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1867-1381
EI 1867-8548
J9 ATMOS MEAS TECH
JI Atmos. Meas. Tech.
PY 2014
VL 7
IS 9
BP 3095
EP 3112
DI 10.5194/amt-7-3095-2014
PG 18
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA AQ8WR
UT WOS:000343119600021
ER
PT J
AU Chen, LX
Zhang, X
Shelby, ML
AF Chen, L. X.
Zhang, X.
Shelby, M. L.
TI Recent advances on ultrafast X-ray spectroscopy in the chemical sciences
SO CHEMICAL SCIENCE
LA English
DT Review
ID ABSORPTION FINE-STRUCTURE; TRANSITION-METAL-COMPLEXES; SPIN-CROSSOVER
COMPLEXES; EXCITED-STATE EVOLUTION; TRANSIENT ABSORPTION;
ELECTRON-TRANSFER; STRUCTURAL DYNAMICS; CHARGE-TRANSFER;
PHOTOELECTRON-SPECTROSCOPY; CARBON-MONOXIDE
AB As an X-ray method for capturing transient structures of molecules during chemical reactions, X-ray transient absorption (XTA), or laser-initiated time-resolved X-ray absorption spectroscopy, has seen its capabilities greatly expanded over the past decade. XTA, which includes X-ray absorption near edge structure (XANES) and X-ray absorption fine structure (XAFS), has evolved beyond proof-of-concept studies and has been increasingly used to interrogate real chemical problems. Advances in ultrafast laser technology, pulsed X-ray sources in synchrotron facilities, as well as the frontier femtosecond X-ray pulses from X-ray free electron lasers have opened up new opportunities to gain a new fundamental description of the chemical sciences. This review reports historical and recent advances in XTA, particularly in its chemical applications, and is focused on (1) an overview of XTA capabilities in comparison to the related techniques of X-ray emission spectroscopy (XES) and resonant inelastic X-ray scattering (RIXS), (2) general chemical properties that can be investigated by the XTA method, (3) chemical systems studied by XTA investigations such as transition metal complexes, metalloproteins and hybrid systems, and (4) summary and perspectives.
C1 [Chen, L. X.] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA.
[Chen, L. X.; Shelby, M. L.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA.
[Zhang, X.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Lemont, IL 60439 USA.
RP Chen, LX (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Lemont, IL 60439 USA.
EM l-chen@northwestern.edu
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-06CH11357]
FX We thank the support from the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, under Contract no.
DE-AC02-06CH11357. 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 no.
DE-AC02-06CH11357. The authors would like to thank Drs K. Attenkofer
(now at NSLS-II, Brookhaven National Laboratory), G. Jennings, Q. Kong
and Mr C. Kurtz of the Advanced Photon Source for their contributions in
the XTA facility at Beamline 11ID-D, APS. L. X. C. would like to thank
her collaborators from both Argonne National Laboratory and Northwestern
University, Drs G. B. Shaw, E. C. Wasinger, J. V. Lockard, M. R.
Harpham, A. B. Stickrath, J. Huang, K. Fransted, D. Hayes, and M. W.
Mara for their efforts in experiments mentioned here. Also, many
discussions and exchanges with our collaborators, Dr G. Smolentsev, K.
M. Haldrup, Prof. A. Sotadov, S. Della Longa, G. J. Meyer, F.N.
Castellano, P. Coppens, J. S. Lindsey, M. P. Hopkins and many others,
are appreciated.
NR 134
TC 15
Z9 15
U1 17
U2 90
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 2014
VL 5
IS 11
BP 4136
EP 4152
DI 10.1039/c4sc01333f
PG 17
WC Chemistry, Multidisciplinary
SC Chemistry
GA AQ7NK
UT WOS:000343004300002
ER
PT S
AU Bernacki, BE
Cannon, BD
Schiffern, JT
Mendoza, A
AF Bernacki, Bruce E.
Cannon, Bret D.
Schiffern, John T.
Mendoza, Albert
BE Harding, KG
Yoshizawa, T
Zhang, S
TI Three dimensional imaging with multiple wavelength speckle
interferometry
SO DIMENSIONAL OPTICAL METROLOGY AND INSPECTION FOR PRACTICAL APPLICATIONS
III
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Dimensional Optical Metrology and Inspection for Practical
Applications III
CY MAY 05-06, 2014
CL Baltimore, MD
SP SPIE
DE speckle interferometry; synthetic wavelength interferometry; surface
profiling
AB We present the design, modeling, construction, and results of a three-dimensional imager based upon multiple-wavelength speckle interferometry. Speckle imaging used in non-destructive evaluation is well-known but requires a precisely acquired reference image and can measure excursions only within the 2 pi ambiguity range determined by the illumination wavelength. Our approach is based upon earlier efforts pioneered by Takeda, but with updated illumination, imaging, and processing tools, in which a surface under test is illuminated with tunable laser light in a Michelson interferometer configuration. A speckled image is acquired at each laser frequency step creating a data hypercube. Interference between the reference wavefront and light from the object causes the amplitude of the speckles to cycle with laser tuning. Fourier transforming the hypercube in the laser frequency dimension reveals periods that map heights of surface features. Height resolution is determined by the maximum tuning range of the laser, which for our 16-nm tuning range provides approximately 18 micron resolution without any efforts at interpolation. The largest height without wraparound depends on the smallest tuning steps, which for our laser is 15 cm for 0.002 nm (1 GHz) tuning steps. In this way, objects with large discontinuous steps or holes can be imaged without confusion. Also, due to the illumination beam being normal to the surface under test, shadowing is eliminated. To inform our design and better understand our system's limitations, we have developed extensive numerical models based upon Monte Carlo ray tracing in which speckle patterns are produced after scattering from model surfaces by coherent summing of rays at the detector plane. Data acquired by the system as well as modeling results will be shown.
C1 [Bernacki, Bruce E.; Cannon, Bret D.; Schiffern, John T.; Mendoza, Albert] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Bernacki, BE (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA.
EM bruce.bernacki@pnnl.gov
NR 8
TC 1
Z9 1
U1 0
U2 2
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-047-1
J9 PROC SPIE
PY 2014
VL 9110
AR 91100A
DI 10.1117/12.2053834
PG 8
WC Instruments & Instrumentation; Optics; Physics, Applied
SC Instruments & Instrumentation; Optics; Physics
GA BB3YY
UT WOS:000343110300008
ER
PT J
AU Dufek, EJ
AF Dufek, Eric J.
TI Evaluation of the SEI Using a Multilayer Spectroscopic Ellipsometry
Model
SO ECS ELECTROCHEMISTRY LETTERS
LA English
DT Article
ID RAY PHOTOELECTRON-SPECTROSCOPY; SOLID-ELECTROLYTE INTERPHASE;
LITHIUM-ION BATTERIES; IN-SITU; CARBONATE ELECTROLYTES;
GRAPHITE-ELECTRODES; LI ELECTRODES; INTERFACE; ETHYLENE; REDUCTION
AB A multilayer spectroscopic ellipsometry (SE) model has been developed to characterize SEI formation. The model, which consists of two Cauchy layers, is constructed with an inner layer meant to model primarily inorganic compounds adjacent to an electrode and an outer layer which mirrors polymeric, organic constituents on the exterior of the SEI. Comparison of 1: 1 EC: EMC and 1: 4 EC: EMC with 1.0 M LiPF6 shows distinct differences in the two modeled layers. The data suggest that the thickness of both layers change over a wide potential range. These changes have been linked with other reports on the growth of the SEI. (C) 2014 The Electrochemical Society. All rights reserved.
C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Dufek, EJ (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA.
EM eric.dufek@inl.gov
RI Dufek, Eric/B-8847-2017
OI Dufek, Eric/0000-0003-4802-1997
FU INL Laboratory Directed Research and Development (LDRD) Program under
DOE Idaho Operations Office [13-027]
FX The author thank Dr. Sergiy Sazhin for helpful comments during the
course of the present work. The author would also like to thank Dr.
William Bauer and Paul Hahn for aid in obtaining FTIR spectra and SEM
images. Work supported through the INL Laboratory Directed Research and
Development (LDRD) Program, Project 13-027, under DOE Idaho Operations
Office.33
NR 32
TC 1
Z9 1
U1 4
U2 22
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 2162-8726
EI 2162-8734
J9 ECS ELECTROCHEM LETT
JI ECS Electrochem. Lett.
PY 2014
VL 3
IS 11
BP A108
EP A111
DI 10.1149/2.0031411eel
PG 4
WC Electrochemistry; Materials Science, Multidisciplinary
SC Electrochemistry; Materials Science
GA AR0GV
UT WOS:000343250200002
ER
PT J
AU Goenaga, GA
Foister, S
Belapure, A
Byrne, K
Hawks, S
Papandrew, AB
Zawodzinski, T
AF Goenaga, Gabriel A.
Foister, Shane
Belapure, Ashesh
Byrne, Kelli
Hawks, Samantha
Papandrew, Alexander B.
Zawodzinski, Thomas
TI Pyrolyzed Copper-Based Catalyst with High Oxygen Reduction Activity for
PEM Fuel Cell Applications
SO ECS ELECTROCHEMISTRY LETTERS
LA English
DT Article
ID CATHODE CATALYST; ION BATTERIES; IRON; COMPLEXES;
3,5-DIAMINO-1,2,4-TRIAZOLE; ELECTROCATALYSTS; CHEMISTRY; ELECTRODE;
GRAPHITE; DIOXYGEN
AB We have synthesized a copper-based catalyst for the oxygen reduction reaction in low temperature fuel cells. Catalysts were prepared by covalently attaching a phthalocyanine-type ligand to a carbon black surface, and adding Cu(OAc)(2). The phthalocyanine-type ligand provides the nitrogen to form the presumed catalytic centers with the Cu metal. Rotating ring disk electrode experiments revealed that the catalytic activity of the as-synthesized material is greatly enhanced after one-step pyrolysis under inert atmosphere, reaching an onset potential of 0.82 V vs. RHE in acidic environment after thermal treatment at 950 degrees C, making this the best copper-based ORR catalyst in acid reported to date. (C) The Author(s) 2014. Published by ECS. All rights reserved.
C1 [Goenaga, Gabriel A.; Foister, Shane; Belapure, Ashesh; Byrne, Kelli; Hawks, Samantha; Papandrew, Alexander B.; Zawodzinski, Thomas] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
[Zawodzinski, Thomas] Oak Ridge Natl Lab, Phys Chem Mat Grp, Oak Ridge, TN 37831 USA.
RP Goenaga, GA (reprint author), Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
EM ggoenaga@utk.edu
FU NSF under Thrust 2 [NSF EPS-1004083]; US. Department of Energy Fuel Cell
Technology program Grant [DE-EE0000459]
FX We gratefully acknowledge the support of this work by the NSF-funded
TN-SCORE program, NSF EPS-1004083, under Thrust 2 and funding from the
US. Department of Energy Fuel Cell Technology program Grant
#DE-EE0000459.
NR 28
TC 2
Z9 2
U1 5
U2 27
PU ELECTROCHEMICAL SOC INC
PI PENNINGTON
PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA
SN 2162-8726
EI 2162-8734
J9 ECS ELECTROCHEM LETT
JI ECS Electrochem. Lett.
PY 2014
VL 3
IS 11
BP F68
EP F71
DI 10.1149/2.0071411eel
PG 4
WC Electrochemistry; Materials Science, Multidisciplinary
SC Electrochemistry; Materials Science
GA AR0GV
UT WOS:000343250200008
ER
PT J
AU Li, HS
Dimitrovski, A
Song, JB
Han, Z
Qian, LJ
AF Li, Husheng
Dimitrovski, Aleksandar
Song, Ju Bin
Han, Zhu
Qian, Lijun
TI Communication Infrastructure Design in Cyber Physical Systems with
Applications in Smart Grids: A Hybrid System Framework
SO IEEE COMMUNICATIONS SURVEYS AND TUTORIALS
LA English
DT Article
DE Communication infrastructure; cyber physical system; smart grid; hybrid
systems
ID DISCRETE-TIME; LINEAR-SYSTEMS; PART I; STABILITY; CONTROLLABILITY;
STABILIZATION; ALGORITHM
AB This paper provides a survey on communications in CPS and a tutorial of a unified framework, i.e., hybrid system featured by the co-existence of discrete and continuous system states, for the design of communication infrastructure in cyber physical system (CPS). First, CPS with communication infrastructure is modeled as a hybrid system, in which the discrete system state is the mode of the communication infrastructure while the continuous system state is the state of the physical dynamics. The dynamical system can be considered as being switched among multiple modes corresponding to the discrete system state. Then, the communication infrastructure design is converted to the problems of mode provisioning and scheduling. This framework is applied in the context of smart grid as a special example of CPS and is shown to achieve good performance via numerical simulations.
C1 [Li, Husheng] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA.
[Li, Husheng; Song, Ju Bin] Kyung Hee Univ, Dept Elect & Radio Engn, Seoul, South Korea.
[Dimitrovski, Aleksandar] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Han, Zhu] Univ Houston, Houston, TX 77004 USA.
[Qian, Lijun] Prairie View A&M Univ, Prairie View, TX USA.
RP Li, HS (reprint author), Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA.
EM husheng@eecs.utk.edu; dimitro-vskia@ornl.gov; jsong@khu.ac.kr;
hanzhu22@gmail.com; liqian@pvamu.edu
RI Dimitrovski, Aleksandar/G-5897-2016
OI Dimitrovski, Aleksandar/0000-0001-9109-621X
NR 106
TC 6
Z9 8
U1 1
U2 11
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 1553-877X
J9 IEEE COMMUN SURV TUT
JI IEEE Commun. Surv. Tutor.
PY 2014
VL 16
IS 3
BP 1689
EP 1708
DI 10.1109/SURV.2014.052914.00130
PG 20
WC Computer Science, Information Systems; Telecommunications
SC Computer Science; Telecommunications
GA AQ8JQ
UT WOS:000343072200025
ER
PT S
AU Hwang, J
Jung, Y
Bae, C
AF Hwang, Joonsik
Jung, Yongjin
Bae, Choongsik
BE Aya, N
Iki, N
Shimura, T
Shirai, T
TI Particulate morphology of waste cooking oil biodiesel and diesel in a
heavy duty diesel engine
SO INTERNATIONAL CONFERENCE ON OPTICAL PARTICLE CHARACTERIZATION (OPC 2014)
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT International Conference on Optical Particle Characterization (OPC 2014)
CY MAR 10-14, 2014
CL Natl Inst Adv Ind Sci & Technol, Tokyo, JAPAN
HO Natl Inst Adv Ind Sci & Technol
DE Soot; Particulate matter (PM); Transmission electron microscopy (TEM);
Thermogravimetric analysis (TGA); Waste cooking oil (WCO); Biodiesel
ID SOOT; OXIDATION; EMISSIONS
AB The effect of biodiesel produced from waste cooking oil (WCO) on the particulate matters (PM) of a direct injection (DI) diesel engine was experimentally investigated and compared with commercial diesel fuel. Soot agglomerates were collected with a thermophoretic sampling device installed in the exhaust pipe of the engine. The morphology of soot particles was analyzed using high resolution transmission electron microscopy (TEM). The elemental and thermogravimetric analysis (TGA) were also conducted to study chemical composition of soot particles. Based on the TEM images, it was revealed that the soot derived from WCO biodiesel has a highly graphitic shell-core arrangement compared to diesel soot. The mean size was measured from averaging 400 primary particles for WCO biodiesel and diesel respectively. The values for WCO biodiesel indicated 19.9 nm which was smaller than diesel's 23.7 nm. From the TGA results, WCO biodiesel showed faster oxidation process. While the oxidation of soot particles from diesel continued until 660 degrees C, WCO biodiesel soot oxidation terminated at 560 degrees C. Elemental analysis results showed that the diesel soot was mainly composed of carbon and hydrogen. On the other hand, WCO biodiesel soot contained high amount of oxygen species.
C1 [Hwang, Joonsik; Bae, Choongsik] Korea Adv Inst Sci & Technol, Dept Mech Engn, 291 Daehak Ro, Taejon 305701, South Korea.
[Jung, Yongjin] Sandia Natl Labs, Livermore, CA 94550 USA.
RP Hwang, J (reprint author), Korea Adv Inst Sci & Technol, Dept Mech Engn, 291 Daehak Ro, Taejon 305701, South Korea.
EM csbae@kaist.edu
NR 15
TC 0
Z9 0
U1 3
U2 5
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-286-4
J9 PROC SPIE
PY 2014
VL 9232
AR UNSP 92320B
DI 10.1117/12.2063599
PG 6
WC Optics; Physics, Applied
SC Optics; Physics
GA BB3SF
UT WOS:000343030700011
ER
PT S
AU Zhou, Z
Lan, ZL
Tang, W
Desai, N
AF Zhou, Zhou
Lan, Zhiling
Tang, Wei
Desai, Narayan
BE Desai, N
Cirne, W
TI Reducing Energy Costs for IBM Blue Gene/P via Power-Aware Job Scheduling
SO JOB SCHEDULING STRATEGIES FOR PARALLEL PROCESSING, JSSPP 2013
SE Lecture Notes in Computer Science
LA English
DT Proceedings Paper
CT 17th International Workshop on Job Scheduling Strategies for Parallel
Processing (JSSPP)
CY MAY 24, 2013
CL Boston, MA
DE Energy; Power-aware job scheduling; Resource management; Blue Gene; HPC
system
ID MANAGEMENT
AB Energy expense is becoming increasingly dominant in the operating costs of high-performance computing (HPC) systems. At the same time, electricity prices vary significantly at different times of the day. Furthermore, job power profiles also differ greatly, especially on HPC systems. In this paper, we propose a smart, power-aware job scheduling approach for HPC systems based on variable energy prices and job power profiles. In particular, we propose a 0-1 knapsack model and demonstrate its flexibility and effectiveness for scheduling jobs, with the goal of reducing energy cost and not degrading system utilization. We design scheduling strategies for Blue Gene/P, a typical partition-based system. Experiments with both synthetic data and real job traces from production systems show that our power-aware job scheduling approach can reduce the energy cost significantly, up to 25%, with only slight impact on system utilization.
C1 [Zhou, Zhou; Lan, Zhiling] Illinois Inst Technol, Dept Comp Sci, Chicago, IL 60616 USA.
[Tang, Wei; Desai, Narayan] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL USA.
RP Zhou, Z (reprint author), Illinois Inst Technol, Dept Comp Sci, Chicago, IL 60616 USA.
EM zzhou1@iit.edu; lan@iit.edu; wtang@mcs.anl.gov; desai@mcs.anl.gov
FU U.S.National Science Foundation [CNS- 0834514, CNS- 0720549]; U. S.
Department of Energy; Office of Science; Advanced Scientific Computing
Research [DE- AC02- 06CH1135]
FX This work was supported in part by the U.S.National Science Foundation
grants CNS-0834514 and CNS-0720549 and in part by the U.S. Department of
Energy,Office of Science, Advanced Scientific Computing Research under
contract DE-AC02-06CH1135. We thank Dr. Ioan Raicu for generously
providing highperformance servers for our experiments.
NR 30
TC 1
Z9 1
U1 1
U2 2
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0302-9743
BN 978-3-662-43779-7; 978-3-662-43778-0
J9 LECT NOTES COMPUT SC
PY 2014
VL 8429
BP 96
EP 115
DI 10.1007/978-3-662-43779-7_6
PG 20
WC Computer Science, Information Systems; Computer Science, Software
Engineering; Computer Science, Theory & Methods
SC Computer Science
GA BB3TL
UT WOS:000343045800006
ER
PT S
AU Rajbhandary, A
Bunde, DP
Leung, VJ
AF Rajbhandary, Avinab
Bunde, David P.
Leung, Vitus J.
BE Desai, N
Cirne, W
TI Variations of Conservative Backfilling to Improve Fairness
SO JOB SCHEDULING STRATEGIES FOR PARALLEL PROCESSING, JSSPP 2013
SE Lecture Notes in Computer Science
LA English
DT Proceedings Paper
CT 17th International Workshop on Job Scheduling Strategies for Parallel
Processing (JSSPP)
CY MAY 24, 2013
CL Boston, MA
AB We apply recent variations of Conservative backfilling in an effort to improve scheduler fairness. These variations modify the compression operation while preserving the key property that jobs never move later in the profile. We assess the variations using two measures of job-level fairness. Each of the variations turns out to be better than Conservative according to one of the metrics.
C1 [Rajbhandary, Avinab; Bunde, David P.] Knox Coll, Galesburg, IL 61401 USA.
[Leung, Vitus J.] Sandia Natl Labs, Albuquerque, NM USA.
RP Bunde, DP (reprint author), Knox Coll, Galesburg, IL 61401 USA.
EM arajbhan@knox.edu; dbunde@knox.edu; vjleung@sandia.gov
FU Sandia National Laboratories. Sandia National Laboratories is a multi-
program laboratory managed and operated by Sandia Corporation [899808];
U. S. Department of Energy's National Nuclear Security Administration
[AC04- 94AL85000]
FX We thank the anonymous referees for their helpful comments. A.
Rajbhandary and D. P. Bunde were partially supported by contract 899808
from Sandia National Laboratories. 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. We also thank all those who contributed
traces to the Parallel Workloads Archive.
NR 20
TC 0
Z9 0
U1 1
U2 1
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0302-9743
BN 978-3-662-43779-7; 978-3-662-43778-0
J9 LECT NOTES COMPUT SC
PY 2014
VL 8429
BP 177
EP 191
DI 10.1007/978-3-662-43779-7_10
PG 15
WC Computer Science, Information Systems; Computer Science, Software
Engineering; Computer Science, Theory & Methods
SC Computer Science
GA BB3TL
UT WOS:000343045800010
ER
PT J
AU Ryser, C
Luthi, MP
Andrews, LC
Hoffman, MJ
Catania, GA
Hawley, RL
Neumann, TA
Kristensen, SS
AF Ryser, Claudia
Luethi, Martin P.
Andrews, Lauren C.
Hoffman, Matthew J.
Catania, Ginny A.
Hawley, Robert L.
Neumann, Thomas A.
Kristensen, Steen S.
TI Sustained high basal motion of the Greenland ice sheet revealed by
borehole deformation
SO JOURNAL OF GLACIOLOGY
LA English
DT Article
DE Arctic glaciology; ice dynamics; ice rheology
ID ABLATION ZONE; JAKOBSHAVN ISBRAE; FLOW; GLACIER; CLIMATE; ACCELERATION;
STREAMS; WATER
AB Ice deformation and basal motion characterize the dynamical behavior of the Greenland ice sheet (GrIS). We evaluate the contribution of basal motion from ice deformation measurements in boreholes drilled to the bed at two sites in the western marginal zone of the GrIS. We find a sustained high amount of basal motion contribution to surface velocity of 44-73% in winter, and up to 90% in summer. Measured ice deformation rates show an unexpected variation with depth that can be explained with the help of an ice-flow model as a consequence of stress transfer from slippery to sticky areas. This effect necessitates the use of high-order ice-flow models, not only in regions of fast-flowing ice streams but in all temperate-based areas of the GrIS. The agreement between modeled and measured deformation rates confirms that the recommended values of the temperature-dependent flow rate factor A are a good choice for ice-sheet models.
C1 [Ryser, Claudia; Luethi, Martin P.] ETH, Versuchsanstalt Wasserbau Hydrol & Glaziol, VAW, CH-8092 Zurich, Switzerland.
[Andrews, Lauren C.; Catania, Ginny A.] Univ Texas Austin, Inst Geophys, Austin, TX 78712 USA.
[Andrews, Lauren C.; Catania, Ginny A.] Univ Texas Austin, Dept Geol Sci, Austin, TX 78712 USA.
[Hoffman, Matthew J.] Los Alamos Natl Lab, Fluid Dynam & Solid Mech Grp, Los Alamos, NM USA.
[Hawley, Robert L.] Dartmouth Coll, Dept Earth Sci, Hanover, NH 03755 USA.
[Neumann, Thomas A.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA.
[Kristensen, Steen S.] Tech Univ Denmark, Natl Space Inst, DK-2800 Lyngby, Denmark.
RP Ryser, C (reprint author), ETH, Versuchsanstalt Wasserbau Hydrol & Glaziol, VAW, CH-8092 Zurich, Switzerland.
EM ryser@vaw.baug.ethz.ch
RI Catania, Ginny/B-9787-2008; Andrews, Lauren/D-8274-2017
OI Andrews, Lauren/0000-0003-3727-4737
FU Swiss National Science Foundation [200021_127197]; US National Science
Foundation [OPP 0908156, OPP 0909454, ANT-0424589]; NASA Cryospheric
Sciences; Climate Modeling Programs within US Department of Energy
Office of Science; NASA HQ
FX We thank several people who were essential in this project: Cornelius
Senn, Edi Imhof, Thomas Wyder, Martin Funk, Andreas Bauder, Christian
Birchler, Michael Meier, Blaine Moriss and Fabian Walter. This project
was supported by Swiss National Science Foundation grant 200021_127197,
US National Science Foundation grants OPP 0908156, OPP 0909454 and
ANT-0424589 (to CReSIS), NASA Cryospheric Sciences, and Climate Modeling
Programs within the US Department of Energy Office of Science.
Logistical support was provided by CH2M HILL Polar Services. GPS
receivers were provided by UNAVCO. We also acknowledge the help of
pilots and airport cargo staff of Air Greenland in Ilulissat. We thank
'Microwave and Remote Sensing, DTU Space, the Technical University of
Denmark' for providing bedrock topography data of the area. We
acknowledge the use of Rapid Response imagery from the Land Atmosphere
Near-real time Capability for EOS (LANCE) system operated by the NASA
Goddard Space Flight Center's Earth Science Data and Information System
(ESDIS) with funding provided by NASA HQ.
NR 36
TC 17
Z9 17
U1 0
U2 8
PU INT GLACIOL SOC
PI CAMBRIDGE
PA LENSFIELD RD, CAMBRIDGE CB2 1ER, ENGLAND
SN 0022-1430
EI 1727-5652
J9 J GLACIOL
JI J. Glaciol.
PY 2014
VL 60
IS 222
BP 647
EP 660
DI 10.3189/2014JoG13J196
PG 14
WC Geography, Physical; Geosciences, Multidisciplinary
SC Physical Geography; Geology
GA AR0OV
UT WOS:000343272100004
ER
PT S
AU Rasmussen, A
Antilogus, P
Astier, P
Claver, C
Doherty, P
Dubois-Felsmann, G
Gilmore, K
Kahn, S
Kotov, I
Lupton, R
O'Connor, P
Nomerotski, A
Ritz, S
Stubbs, C
AF Rasmussen, Andrew
Antilogus, Pierre
Astier, Pierre
Claver, Chuck
Doherty, Peter
Dubois-Felsmann, Gregory
Gilmore, Kirk
Kahn, Steven
Kotov, Ivan
Lupton, Robert
O'Connor, Paul
Nomerotski, Andrei
Ritz, Steve
Stubbs, Christopher
BE Angeli, GZ
Dierickx, P
TI A framework for modeling the detailed optical response of thick,
multiple segment, large format sensors for precision astronomy
applications
SO MODELING, SYSTEMS ENGINEERING, AND PROJECT MANAGEMENT FOR ASTRONOMY VI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Modeling, Systems Engineering, and Project Management for
Astronomy VI
CY JUN 22-24, 2014
CL Montreal, CANADA
SP SPIE, American Astronom Soc, Australian Astronom Observ, Assoc Univ Res Astron, Canadian Astronom Soc, Canadian Space Agcy, European Astronom Soc, European So Observ, Natl Radio Astron Observ, Royal Astronom Soc, Sci & Technol Facilities Council
DE CCDs; charge collection; drift fields; flat field distortion; pixel size
variation; imaging nonlinearities
AB Near-future astronomical survey experiments, such as LSST, possess system requirements of unprecedented fidelity(1) that span photometry, astrometry and shape transfer. Some of these requirements flow directly to the array of science imaging sensors at the focal plane. Availability of high quality characterization data acquired in the course of our sensor development program has given us an opportunity to develop and test a framework for simulation and modeling that is based on a limited set of physical and geometric effects. In this paper we describe those models, provide quantitative comparisons between data and modeled response, and extrapolate the response model to predict imaging array response to astronomical exposure. The emergent picture departs from the notion of a fixed, rectilinear grid that maps photo-conversions to the potential well of the channel. In place of that, we have a situation where structures from device fabrication, local silicon bulk resistivity variations and photo-converted carrier patterns still accumulating at the channel, together influence and distort positions within the photosensitive volume that map to pixel boundaries. Strategies for efficient extraction of modeling parameters from routinely acquired characterization data are described. Methods for high fidelity illumination/image distribution parameter retrieval, in the presence of such distortions, are also discussed.
C1 [Rasmussen, Andrew; Dubois-Felsmann, Gregory; Gilmore, Kirk; Kahn, Steven] SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA.
[Antilogus, Pierre; Astier, Pierre] CNRS, LPNHE IN2P3, UPMC, F-75005 Paris, France.
[Claver, Chuck] Nat Opt Astron Observ, Tucson, AZ 85719 USA.
[Doherty, Peter; Stubbs, Christopher] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA.
[Kotov, Ivan; O'Connor, Paul; Nomerotski, Andrei] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Lupton, Robert] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA.
[Ritz, Steve] Univ Calif Santa Cruz, SCIPP, Santa Cruz, CA 95064 USA.
RP Rasmussen, A (reprint author), SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA.
EM arasmus@slac.stanford.edu
RI Stubbs, Christopher/C-2829-2012; Nomerotski, Andrei/A-5169-2010
OI Stubbs, Christopher/0000-0003-0347-1724;
FU Cooperative Agreement with the National Science Foundation; Association
of Universities for Research in Astronomy ( AURA); Department of Energy;
LSSTC Institutional Members
FX LSST project activities are supported in part by a Cooperative Agreement
with the National Science Foundation managed by the Association of
Universities for Research in Astronomy ( AURA), and the Department of
Energy. Additional LSST funding comes from private donations, grants to
universities, and in kind support from LSSTC Institutional Members.
NR 19
TC 4
Z9 4
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9618-8
J9 PROC SPIE
PY 2014
VL 9150
AR UNSP 915017
DI 10.1117/12.2057411
PG 13
WC Astronomy & Astrophysics; Optics
SC Astronomy & Astrophysics; Optics
GA BB3SN
UT WOS:000343032800041
ER
PT S
AU Olama, MM
Thakur, G
McNair, AW
Sukumar, SR
AF Olama, Mohammed M.
Thakur, Gautam
McNair, Allen W.
Sukumar, Sreenivas R.
BE Broome, BD
Hall, DL
Llinas, J
TI Predicting Student Success using Analytics in Course Learning Management
Systems
SO NEXT-GENERATION ANALYST II
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Next-Generation Analyst II
CY MAY 06, 2014
CL Baltimore, MD
SP SPIE
DE Educational data mining; predictive analytics; learning management
systems; logistic regression; feed-forward neural network
ID NEURAL NETWORKS
AB Educational data analytics is an emerging discipline, concerned with developing methods for exploring the unique types of data that come from the educational context. For example, predicting college student performance is crucial for both the student and educational institutions. It can support timely intervention to prevent students from failing a course, increasing efficacy of advising functions, and improving course completion rate. In this paper, we present the efforts carried out at Oak Ridge National Laboratory (ORNL) toward conducting predictive analytics to academic data collected from 2009 through 2013 and available in one of the most commonly used learning management systems, called Moodle. First, we have identified the data features useful for predicting student outcomes such as students' scores in homework assignments, quizzes, exams, in addition to their activities in discussion forums and their total GPA at the same term they enrolled in the course. Then, Logistic Regression and Neural Network predictive models are used to identify students as early as possible that are in danger of failing the course they are currently enrolled in. These models compute the likelihood of any given student failing (or passing) the current course. Numerical results are presented to evaluate and compare the performance of the developed models and their predictive accuracy.
C1 [Olama, Mohammed M.; Thakur, Gautam; McNair, Allen W.; Sukumar, Sreenivas R.] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA.
RP Olama, MM (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM olamahussemm@ornl.gov
RI Thakur, Gautam/S-8694-2016
OI Thakur, Gautam/0000-0002-8341-4596
NR 19
TC 0
Z9 0
U1 1
U2 10
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-059-4
J9 PROC SPIE
PY 2014
VL 9122
AR 91220M
DI 10.1117/12.2050641
PG 9
WC Optics
SC Optics
GA BB3ZV
UT WOS:000343114600021
ER
PT S
AU Olama, MM
McNair, AW
Sukumar, SR
Nutaro, JJ
AF Olama, Mohammed M.
McNair, Allen W.
Sukumar, Sreenivas R.
Nutaro, James J.
BE Broome, BD
Hall, DL
Llinas, J
TI A Qualitative Readiness-Requirements Assessment Model for Enterprise
Big-Data Infrastructure Investment
SO NEXT-GENERATION ANALYST II
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Next-Generation Analyst II
CY MAY 06, 2014
CL Baltimore, MD
SP SPIE
DE Big data; multi-agency data integration; data management; data warehouse
AB In the last three decades, there has been an exponential growth in the area of information technology providing the information processing needs of data-driven businesses in government, science, and private industry in the form of capturing, staging, integrating, conveying, analyzing, and transferring data that will help knowledge workers and decision makers make sound business decisions. Data integration across enterprise warehouses is one of the most challenging steps in the big data analytics strategy. Several levels of data integration have been identified across enterprise warehouses: data accessibility, common data platform, and consolidated data model. Each level of integration has its own set of complexities that requires a certain amount of time, budget, and resources to implement. Such levels of integration are designed to address the technical challenges inherent in consolidating the disparate data sources. In this paper, we present a methodology based on industry best practices to measure the readiness of an organization and its data sets against the different levels of data integration. We introduce a new Integration Level Model (ILM) tool, which is used for quantifying an organization and data system's readiness to share data at a certain level of data integration. It is based largely on the established and accepted framework provided in the Data Management Association (DAMA-DMBOK). It comprises several key data management functions and supporting activities, together with several environmental elements that describe and apply to each function. The proposed model scores the maturity of a system's data governance processes and provides a pragmatic methodology for evaluating integration risks. The higher the computed scores, the better managed the source data system and the greater the likelihood that the data system can be brought in at a higher level of integration.
C1 [Olama, Mohammed M.; McNair, Allen W.; Sukumar, Sreenivas R.; Nutaro, James J.] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA.
RP Olama, MM (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM olamahussemm@ornl.gov
OI Nutaro, James/0000-0001-7360-2836
NR 6
TC 0
Z9 0
U1 2
U2 14
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-059-4
J9 PROC SPIE
PY 2014
VL 9122
AR 91220E
DI 10.1117/12.2050605
PG 8
WC Optics
SC Optics
GA BB3ZV
UT WOS:000343114600014
ER
PT S
AU Diehl, HT
Abbott, TMC
Annis, J
Armstrong, R
Baruah, L
Bermeo, A
Bernstein, G
Beynon, E
Bruderer, C
Buckley-Geer, EJ
Campbell, H
Capozzi, D
Carter, M
Casas, R
Clerkin, L
Covarrubias, R
Cuhna, C
D'Andrea, C
da Costa, L
Das, R
Depoy, DL
Dietrich, J
Drlica-Wagner, A
Elliott, A
Eifler, T
Estrada, J
Etherington, J
Flaugher, BL
Frieman, J
Neto, AF
Gelman, M
Gerdes, D
Gruen, D
Gruendl, R
Hao, J
Head, H
Helsby, J
Hoffman, K
Honscheid, K
James, D
Johnson, M
Kacprzac, T
Katsaros, J
Kennedy, R
Kent, S
Kessler, R
Kim, A
Krause, E
Kron, R
Kuhlmann, S
Kunder, A
Li, T
Lin, H
Maccrann, N
March, M
Marshall, J
Neilsen, E
Nugent, P
Martini, P
Melchior, P
Menanteau, F
Nichol, RC
Nord, B
Ogando, R
Old, L
Papadopoulos, A
Patton, K
Petravick, D
Plazas, AA
Poulton, R
Pujol, A
Reil, K
Rigby, T
Romer, K
Roodman, A
Rooney, P
Alvaro, ES
Serrano, S
Sheldon, E
Smith, A
Smith, RC
Soares-Santos, M
Soumagnac, M
Spinka, H
Suchyta, E
Tucker, D
Walker, AR
Wester, W
Wiesner, M
Wilcox, H
Williams, R
Yanny, B
Zhang, YY
AF Diehl, H. T.
Abbott, T. M. C.
Annis, J.
Armstrong, R.
Baruah, L.
Bermeo, A.
Bernstein, G.
Beynon, E.
Bruderer, C.
Buckley-Geer, E. J.
Campbell, H.
Capozzi, D.
Carter, M.
Casas, R.
Clerkin, L.
Covarrubias, R.
Cuhna, C.
D'Andrea, C.
da Costa, L.
Das, R.
DePoy, D. L.
Dietrich, J.
Drlica-Wagner, A.
Elliott, A.
Eifler, T.
Estrada, J.
Etherington, J.
Flaugher, B. L.
Frieman, J.
Fausti Neto, A.
Gelman, M.
Gerdes, D.
Gruen, D.
Gruendl, R.
Hao, J.
Head, H.
Helsby, J.
Hoffman, K.
Honscheid, K.
James, D.
Johnson, M.
Kacprzac, T.
Katsaros, J.
Kennedy, R.
Kent, S.
Kessler, R.
Kim, A.
Krause, E.
Kron, R.
Kuhlmann, S.
Kunder, A.
Li, T.
Lin, H.
Maccrann, N.
March, M.
Marshall, J.
Neilsen, E.
Nugent, P.
Martini, P.
Melchior, P.
Menanteau, F.
Nichol, R. C.
Nord, B.
Ogando, R.
Old, L.
Papadopoulos, A.
Patton, K.
Petravick, D.
Plazas, A. A.
Poulton, R.
Pujol, A.
Reil, K.
Rigby, T.
Romer, K.
Roodman, A.
Rooney, P.
Sanchez Alvaro, E.
Serrano, S.
Sheldon, E.
Smith, A.
Smith, R. C.
Soares-Santos, M.
Soumagnac, M.
Spinka, H.
Suchyta, E.
Tucker, D.
Walker, A. R.
Wester, W.
Wiesner, M.
Wilcox, H.
Williams, R.
Yanny, B.
Zhang, Y. -Y.
BE Peck, AB
Benn, CR
Seaman, RL
TI The Dark Energy Survey and Operations: Year 1
SO OBSERVATORY OPERATIONS: STRATEGIES, PROCESSES, AND SYSTEMS V
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Observatory Operations - Strategies, Processes, and
Systems V
CY JUN 25-27, 2014
CL Montreal, CANADA
SP SPIE
DE Cosmology; Dark Energy Survey; Dark Energy Camera; Operations; CTIO
ID COMPRESSION; DECAM
AB The Dark Energy Survey (DES) is a next generation optical survey aimed at understanding the accelerating expansion of the universe using four complementary methods: weak gravitational lensing, galaxy cluster counts, baryon acoustic oscillations, and Type Ia supernovae. To perform the 5000 sq-degree wide field and 30 sq-degree supernova surveys, the DES Collaboration built the Dark Energy Camera (DECam), a 3 square-degree, 570-Megapixel CCD camera that was installed at the prime focus of the Blanco 4-meter telescope at the Cerro Tololo Inter-American Observatory (CTIO). DES started its first observing season on August 31, 2013 and observed for 105 nights through mid-February 2014. This paper describes DES "Year 1" (Y1), the strategy and goals for the first year's data, provides an outline of the operations procedures, lists the efficiency of survey operations and the causes of lost observing time, provides details about the quality of the first year's data, and hints at the "Year 2" plan and outlook.
C1 [Diehl, H. T.; Annis, J.; Buckley-Geer, E. J.; Drlica-Wagner, A.; Estrada, J.; Flaugher, B. L.; Frieman, J.; Hao, J.; Kent, S.; Kron, R.; Lin, H.; Neilsen, E.; Nord, B.; Soares-Santos, M.; Tucker, D.; Wester, W.; Wiesner, M.; Yanny, B.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
[Abbott, T. M. C.; James, D.; Kunder, A.; Smith, R. C.; Walker, A. R.] Natl Opt Astron Observ, Cerro Tololo Inter Amer Observ, La Serena, Chile.
[Armstrong, R.; Bernstein, G.; Eifler, T.; Etherington, J.; Krause, E.; March, M.] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA.
[Baruah, L.; Bermeo, A.; Carter, M.; Kennedy, R.; Poulton, R.; Rigby, T.; Romer, K.; Rooney, P.; Williams, R.] Dept Phys & Astron, Sussex, England.
[Beynon, E.; Campbell, H.; Capozzi, D.; D'Andrea, C.; Etherington, J.; Nichol, R. C.; Papadopoulos, A.; Wilcox, H.] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England.
[Bruderer, C.] Swiss Fed Inst Technol, Inst Astron, Dept Phys, CH-8093 Zurich, Switzerland.
[Casas, R.; Hoffman, K.; Pujol, A.; Serrano, S.] IEEC, CSIC, ICE, E-08193 Barcelona, Spain.
[Clerkin, L.; Kacprzac, T.; Soumagnac, M.] UCL, Dept Phys & Astron, London WC1E 6BT, England.
[Covarrubias, R.; Gelman, M.; Gruendl, R.; Johnson, M.; Menanteau, F.; Petravick, D.] Natl Ctr Supercomp Applicat, Urbana, IL 61801 USA.
[Reil, K.; Roodman, A.] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94305 USA.
[da Costa, L.; Fausti Neto, A.; Ogando, R.] Lab Interinstituc & Astronomia, BR-20921400 Janeiro, RJ, Brazil.
[Gerdes, D.; Zhang, Y. -Y.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA.
[Li, T.; Marshall, J.] Texas A&M Univ, Inst Fuindamental Phys & Astron, Dept Phys & Astron, College Stn, TX 77843 USA.
[Dietrich, J.] Univ Observ Munich, D-81679 Munich, Germany.
[Dietrich, J.; Melchior, P.] Excellence Cluster Univ, D-85748 Garching, Germany.
[Honscheid, K.; Suchyta, E.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA.
[Gruen, D.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany.
[Covarrubias, R.; Gruendl, R.; Johnson, M.; Menanteau, F.; Petravick, D.] Univ Illinois, Dept Astron, Urbana, IL 61801 USA.
[Head, H.] Austin Peay State Univ, Dept Phys & Astron, Clarksville, TN 37044 USA.
[Helsby, J.; Kessler, R.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA.
[Kim, A.; Nugent, P.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Kuhlmann, S.] Argonne Natl Lab, Argonne, IL 60439 USA.
[Maccrann, N.] Univ Manchester, Manchester M13 9PL, Lancs, England.
[Gruendl, R.; Melchior, P.] Ohio State Univ, Ctr Cosmol & Astro Particle Phys, Columbus, OH 43210 USA.
[Ogando, R.] Observ Nac, BR-20921400 Janeiro, RJ, Brazil.
[Old, L.] Univ Park, Cripps Ctr Astron & Particle Theory, Nottingham NG7 2RD, England.
RP Diehl, HT (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
EM Diehl@FNAL.GOV
RI Ogando, Ricardo/A-1747-2010;
OI Ogando, Ricardo/0000-0003-2120-1154; Suchyta, Eric/0000-0002-7047-9358;
Pujol, Arnau/0000-0001-7288-6435; Kunder, Andrea/0000-0002-2808-1370;
Menanteau, Felipe/0000-0002-1372-2534; Hao,
Jiangang/0000-0003-0502-7571; Smith, J. Allyn/0000-0002-6261-4601;
Tucker, Douglas/0000-0001-7211-5729
FU U. S. Department of Energy; U. S. National Science Foundation; Ministry
of Science and Education of Spain; Science and Technology Facilities
Council of the United Kingdom; Higher Education Funding Council for
England; National Center for Supercomputing Applications at the
University of Illinois at Urbana- Champaign; Kavli Institute of
Cosmological Physics at the University of Chicago; Financiadora de
Estudos e Projetos; Fundacao Carlos Chagas Filho de Amparo a Pesquisa do
Estado do Rio de Janeiro; Conselho Nacional de Desenvolvimento
Cientifico e Tecnologico; Ministerio da Ciencia e Tecnologia; Deutsche
Forschungsgemeinschaft; Collaborating Institutions in the Dark Energy
Survey
FX Funding for the DES Projects has been provided by the U. S. Department
of Energy, the U. S. National Science Foundation, the Ministry of
Science and Education of Spain, the Science and Technology Facilities
Council of the United Kingdom, the Higher Education Funding Council for
England, the National Center for Supercomputing Applications at the
University of Illinois at Urbana- Champaign, the Kavli Institute of
Cosmological Physics at the University of Chicago, Financiadora de
Estudos e Projetos, Fundacao Carlos Chagas Filho de Amparo a Pesquisa do
Estado do Rio de Janeiro, Conselho Nacional de Desenvolvimento
Cientifico e Tecnologico and the Ministerio da Ciencia e Tecnologia, the
Deutsche Forschungsgemeinschaft and the Collaborating Institutions in
the Dark Energy Survey.
NR 34
TC 22
Z9 22
U1 0
U2 1
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9617-1
J9 PROC SPIE
PY 2014
VL 9149
AR UNSP 91490V
DI 10.1117/12.2056982
PG 15
WC Astronomy & Astrophysics; Optics; Physics, Applied
SC Astronomy & Astrophysics; Optics; Physics
GA BB3WP
UT WOS:000343092000029
ER
PT S
AU Rantakyro, FT
Cardwell, A
Chilcote, J
Dunn, J
Goodsell, S
Hibon, P
Macintosh, B
Quiroz, C
Perrin, MD
Sadakuni, N
Saddlemyer, L
Savransky, D
Serio, A
Winge, C
Galvez, R
Gausachs, G
Hardie, K
Hartung, M
Luhrs, J
Poyneer, L
Thomas, S
AF Rantakyroe, Fredrik T.
Cardwell, Andrew
Chilcote, Jeffrey
Dunn, Jennifer
Goodsell, Stephen
Hibon, Pascale
Macintosh, Bruce
Quiroz, Carlos
Perrin, Marshall D.
Sadakuni, Naru
Saddlemyer, Leslie
Savransky, Dmitry
Serio, Andrew
Winge, Claudia
Galvez, Ramon
Gausachs, Gaston
Hardie, Kayla
Hartung, Markus
Luhrs, Javier
Poyneer, Lisa
Thomas, Sandrine
BE Peck, AB
Benn, CR
Seaman, RL
TI Gemini planet imager integration to the Gemini South telescope software
environment
SO OBSERVATORY OPERATIONS: STRATEGIES, PROCESSES, AND SYSTEMS V
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Observatory Operations - Strategies, Processes, and
Systems V
CY JUN 25-27, 2014
CL Montreal, CANADA
SP SPIE
DE Gemini Planet Imager; Instrumentation; operation; operations
AB The Gemini Planet Imager is an extreme AO instrument with an integral field spectrograph (IFS) operating in Y, J, H, and K bands. Both the Gemini telescope and the GPI instrument are very complex systems. Our goal is that the combined telescope and instrument system may be run by one observer operating the instrument, and one operator controlling the telescope and the acquisition of light to the instrument. This requires a smooth integration between the two systems and easily operated control interfaces. We discuss the definition of the software and hardware interfaces, their implementation and testing, and the integration of the instrument with the telescope environment.
C1 [Rantakyroe, Fredrik T.; Cardwell, Andrew; Hibon, Pascale; Quiroz, Carlos; Sadakuni, Naru; Serio, Andrew; Winge, Claudia; Galvez, Ramon; Gausachs, Gaston; Hardie, Kayla; Hartung, Markus; Luhrs, Javier] Gemini Observ, Casilla 603, La Serena, Chile.
[Chilcote, Jeffrey] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA.
[Dunn, Jennifer; Saddlemyer, Leslie] Natl Res Council Canada, Herzberg Inst Astrophys, Victoria, BC V9E 2E7, Canada.
[Goodsell, Stephen] Gemini Observ, Hilo, HI USA.
[Macintosh, Bruce] Stanford Univ, Stanford, CA 94305 USA.
[Perrin, Marshall D.] Space Telescope Inst, Baltimore, MD 21218 USA.
[Savransky, Dmitry] Cornell Univ, Ithaca, NY 14850 USA.
[Poyneer, Lisa] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Thomas, Sandrine] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA.
RP Rantakyro, FT (reprint author), Gemini Observ, Casilla 603, La Serena, Chile.
EM frantaky@gemini.edu
RI Savransky, Dmitry/M-1298-2014
OI Savransky, Dmitry/0000-0002-8711-7206
NR 7
TC 0
Z9 0
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9617-1
J9 PROC SPIE
PY 2014
VL 9149
AR UNSP 91492B
DI 10.1117/12.2055654
PG 13
WC Astronomy & Astrophysics; Optics; Physics, Applied
SC Astronomy & Astrophysics; Optics; Physics
GA BB3WP
UT WOS:000343092000076
ER
PT S
AU Seaman, RL
Vestrand, WT
Hessman, FV
AF Seaman, Robert L.
Vestrand, W. Thomas
Hessman, Frederic V.
BE Peck, AB
Benn, CR
Seaman, RL
TI Reengineering observatory operations for the time domain
SO OBSERVATORY OPERATIONS: STRATEGIES, PROCESSES, AND SYSTEMS V
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Observatory Operations - Strategies, Processes, and
Systems V
CY JUN 25-27, 2014
CL Montreal, CANADA
SP SPIE
DE observatory operations; time domain astronomy; transient events;
VOEvent; robotic telescopes
ID SYSTEM; COMPRESSION
AB Observatories are complex scientific and technical institutions serving diverse users and purposes. Their telescopes, instruments, software, and human resources engage in interwoven workflows over a broad range of timescales. These workflows have been tuned to be responsive to concepts of observatory operations that were applicable when various assets were commissioned, years or decades in the past. The astronomical community is entering an era of rapid change increasingly characterized by large time domain surveys, robotic telescopes and automated infrastructures, and most significantly of operating modes and scientific consortia that span our individual facilities, joining them into complex network entities.
Observatories must adapt and numerous initiatives are in progress that focus on redesigning individual components out of the astronomical toolkit. New instrumentation is both more capable and more complex than ever, and even simple instruments may have powerful observation scripting capabilities. Remote and queue observing modes are now widespread. Data archives are becoming ubiquitous. Virtual observatory standards and protocols and astroinformatics data-mining techniques layered on these are areas of active development. Indeed, new large-aperture ground-based telescopes may be as expensive as space missions and have similarly formal project management processes and large data management requirements.
This piecewise approach is not enough. Whatever challenges of funding or politics facing the national and international astronomical communities it will be more efficient scientifically as well as in the usual figures of merit of cost, schedule, performance, and risks to explicitly address the systems engineering of the astronomical community as a whole.
C1 [Seaman, Robert L.] Natl Opt Astron Observ, 950 N Cherry Ave, Tucson, AZ 85719 USA.
[Vestrand, W. Thomas] Los Alamos Natl Lab, Los Alamos, NM USA.
[Hessman, Frederic V.] Georg August Univ, Gottingen, Germany.
RP Seaman, RL (reprint author), Natl Opt Astron Observ, 950 N Cherry Ave, Tucson, AZ 85719 USA.
EM seaman@noao.edu
NR 50
TC 0
Z9 0
U1 1
U2 1
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-0-8194-9617-1
J9 PROC SPIE
PY 2014
VL 9149
AR UNSP 914906
DI 10.1117/12.2060918
PG 18
WC Astronomy & Astrophysics; Optics; Physics, Applied
SC Astronomy & Astrophysics; Optics; Physics
GA BB3WP
UT WOS:000343092000005
ER
PT S
AU Naulleau, P
Bhattaria, S
Chao, R
Claus, R
Goldberg, K
Goodwin, F
Gullikson, E
Lee, D
Neureuther, A
Park, JJ
AF Naulleau, Patrick
Bhattaria, Suchit
Chao, Rick
Claus, Rene
Goldberg, Kenneth
Goodwin, Frank
Gullikson, Eric
Lee, Donggun
Neureuther, Andy
Park, Jong-Ju
BE Kato, K
TI Extreme ultraviolet mask roughness: requirements, characterization, and
modeling
SO PHOTOMASK AND NEXT-GENERATION LITHOGRAPHY MASK TECHNOLOGY XXI
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Photomask and Next-Generation Lithography Mask Technology
XXI
CY APR 15-17, 2014
CL Yokohama, JAPAN
SP PMJ Photomask Japan, BACUS, SPIE
DE extreme ultraviolet; lithography; line-edge roughness; multilayer;
speckle; photomask; surface roughness
ID LINE-EDGE ROUGHNESS; LITHOGRAPHY
AB It is now well established that extremely ultraviolet (EUV) mask multilayer roughness can lead to wafer-plane line-edge roughness (LER) in lithography tools. It is also evident that this same effect leads to sensor plane variability in inspection tools. This is true for both patterned mask and mask blank inspection. Here we evaluate mask roughness specifications explicitly from the actinic inspection perspective. The mask roughness requirement resulting from this analysis are consistent with previously described requirements based on lithographic LER.
In addition to model-based analysis, we also consider the characterization of multilayer mask roughness and evaluate the validity of using atomic force microscopy (AFM) based measurements by direct comparison to EUV scatterometry measurements as well as aerial image measurements on a series of high quality EUV masks. The results demonstrate a significant discrepancy between AFM results and true EUV roughness as measured by actinic scattering.
C1 [Naulleau, Patrick; Goldberg, Kenneth; Gullikson, Eric] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA.
[Chao, Rick; Claus, Rene; Neureuther, Andy] Univ Calif Berkeley, Berkeley, CA 94720 USA.
[Goodwin, Frank] SEMATECH, Albany, NY 12203 USA.
[Lee, Donggun; Park, Jong-Ju] Samsung Elect, Hwasung City 445701, South Korea.
RP Naulleau, P (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA.
NR 15
TC 1
Z9 1
U1 0
U2 2
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-323-6
J9 PROC SPIE
PY 2014
VL 9256
AR UNSP 92560J
DI 10.1117/12.2070303
PG 8
WC Optics
SC Optics
GA BB3YL
UT WOS:000343106700018
ER
PT J
AU Xia, WQ
Hu, W
Li, ZY
Yang, JL
AF Xia, Wenqi
Hu, Wei
Li, Zhenyu
Yang, Jinlong
TI A first-principles study of gas adsorption on germanene
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID POROUS SILICENE; BAND-GAP; GRAPHENE; MEMBRANE; DENSITY
AB The adsorption of common gas molecules (N-2, CO, CO2, H2O, NH3, NO, NO2, and O-2) on germanene is studied with density functional theory. The results show that N-2, CO, CO2, and H2O are physisorbed on germanene via van der Waals interactions, while NH3, NO, NO2, and O-2 are chemisorbed on germanene via strong covalent (Ge-N or Ge-O) bonds. The chemisorption of gas molecules on germanene opens a band gap at the Dirac point of germanene. NO2 chemisorption on germanene shows strong hole doping in germanene. O-2 is easily dissociated on germanene at room temperature. Different adsorption behaviors of common gas molecules on germanene provide a feasible way to exploit chemically modified germanene.
C1 [Xia, Wenqi; Hu, Wei; Li, Zhenyu; Yang, Jinlong] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China.
[Hu, Wei] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
[Li, Zhenyu; Yang, Jinlong] Univ Sci & Technol China, Synerget Innovat Ctr Quantum Informat & Quantum P, Hefei 230026, Anhui, Peoples R China.
RP Yang, JL (reprint author), Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China.
EM jlyang@ustc.edu.cn
RI Yang, Jinlong/D-3465-2009; Li, Zhenyu/C-4754-2008;
OI Yang, Jinlong/0000-0002-5651-5340; Li, Zhenyu/0000-0003-2112-9834; Hu,
Wei/0000-0001-9629-2121
FU National Key Basic Research Program [2011CB921404]; NSFC [21121003,
91021004, 2123307, 21222304]; CAS [XDB01020300]; USTCSCC, SC-CAS,
Tianjin, and Shanghai Supercomputer Centers
FX This work is partially supported by the National Key Basic Research
Program (2011CB921404), by NSFC (21121003, 91021004, 2123307, 21222304),
by CAS(XDB01020300), and by USTCSCC, SC-CAS, Tianjin, and Shanghai
Supercomputer Centers.
NR 58
TC 25
Z9 25
U1 4
U2 86
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 41
BP 22495
EP 22498
DI 10.1039/c4cp03292f
PG 4
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AQ4KT
UT WOS:000342766500009
PM 25227907
ER
PT J
AU Bera, MK
Ellis, RJ
Burton-Pye, BP
Antonio, MR
AF Bera, Mrinal K.
Ellis, Ross J.
Burton-Pye, Benjamin P.
Antonio, Mark R.
TI Structural aspects of heteropolyacid microemulsions
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID 3RD PHASE-FORMATION; STICKY SPHERES MODEL; N-DODECANE SYSTEM;
POLYOXOMETALATE COMPLEXES; BUTYL PHOSPHATE; REVERSE MICELLES; INORGANIC
ACIDS; LIQUID-CRYSTALS; OCTANE SYSTEM; KEGGIN ANIONS
AB Metrical insights from X-ray scattering studies of dense fluid phases (known as "third'' phases) in the Keggin heteropolyacid-tri-n-butyl phosphate (TBP)-n-alkane system are provided. Small-angle X-ray scattering (SAXS) experiments reveal inter-acid correlation peaks corresponding to average centre-of-mass to centre-of-mass separations of 18-23 angstrom between P center dot center dot center dot P, Si center dot center dot center dot Si, and Al center dot center dot center dot Al of H4PW12O40, H4SiW12O40, and H5AlW12O40, respectively, consistent with the presence of TBP solvates that form by hydrogen bonding between the acids and the phosphoryl group of TBP. The Baxter sticky sphere model analyses of the SAXS data reveal identical structures for all the dense phases with inter-cluster interaction energies of similar to 5k(B)T. We demonstrate that the sticky sphere model is an essential paradigm for interpreting SAXS and predicting mesoscale assembly in heteropolyacid microemulsions. The model parameters for the ternary polyoxometalate-amphiphile-oil systems reveal, in rigorous clarity, how the interactions between heteropolyacid solvates underpin their condensation to produce the observed scattering data. Aside from aiding researchers in predicting the physical origins of SAXS in strongly-interacting micellar systems found in natural and engineered settings, such as chemical separations, our study provides mesostructural information that complements previously observed electrochemical behaviours for third phases formed by solvent extraction involving the contact of aqueous electrolytes of dodecatungsto-phosphoric, -silicic, and -aluminic acids with organic solutions (e.g. n-dodecane and n-octane) of TBP, and by simple dissolution of the acid salts of the polyoxometalate hydrates in the same organic solutions.
C1 [Bera, Mrinal K.; Ellis, Ross J.; Antonio, Mark R.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Burton-Pye, Benjamin P.] CUNY Hunter Coll, Dept Chem, New York, NY 10065 USA.
RP Antonio, MR (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM mrinalkb@anl.gov; rellis@anl.gov; benjamin.burtonpye@hunter.cuny.edu;
mantonio@anl.gov
RI ellis, ross/J-1981-2016;
OI ellis, ross/0000-0001-7691-5205; Bera, Mrinal/0000-0003-0698-5253;
Antonio, Mark/0000-0002-1208-4534
FU U. S. DOE, Office of Science, Office of Basic Energy Science, Division
of Chemical Sciences, Biosciences and Geosciences [DE-AC02-06CH11357]
FX We thank Dr Travis H. Bray for assistance during the initial stages of
this research, and Dr Sonke Seifert (Advanced Photon Source) for
assistance at beam line 12-ID-C with SAXS data acquisition. This
material and the use of the Advanced Photon Source, a U. S. Department
of Energy (DOE) Office of Science User Facility at Argonne National
Laboratory, is based upon work supported by the U. S. DOE, Office of
Science, Office of Basic Energy Science, Division of Chemical Sciences,
Biosciences and Geosciences, under contract No DE-AC02-06CH11357.
NR 70
TC 5
Z9 5
U1 8
U2 33
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 41
BP 22566
EP 22574
DI 10.1039/c4cp03014a
PG 9
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AQ4KT
UT WOS:000342766500017
PM 25231601
ER
PT J
AU Mayhall, NJ
Horn, PR
Sundstroma, EJ
Head-Gordon, M
AF Mayhall, Nicholas J.
Horn, Paul R.
Sundstroma, Eric J.
Head-Gordon, Martin
TI Spin-flip non-orthogonal configuration interaction: a variational and
almost black-box method for describing strongly correlated molecules
SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS
LA English
DT Article
ID DENSITY-FUNCTIONAL THEORY; QUANTUM RENORMALIZATION-GROUPS;
EXCITED-STATES; VALENCE-BOND; ELECTRONIC-STRUCTURE; CONVERGENCE
ACCELERATION; BINUCLEAR COMPLEXES; ENERGY DIFFERENCES; METAL-COMPLEXES;
SIZE-CONSISTENT
AB In this paper, we report the development, implementation, and assessment of a novel method for describing strongly correlated systems, spin-flip non-orthogonal configuration interaction (SF-NOCI). The wavefunction is defined to be a linear combination of independently relaxed Slater determinants obtained from all possible spin-flipping excitations within a localized orbital active-space, typically taken to be the singly occupied orbitals of a high-spin ROHF wavefunction. The constrained orbital optimization of each CI basis configuration is defined such that only non-active-space orbitals are allowed to relax (all active space orbitals are fixed). A number of simplifications and benefits arise due to the fact that only a restricted number of orbital rotations are permitted, (1) basis states cannot coalesce during SCF, (2) basis state optimization is better conditioned due to a larger effective HOMO-LUMO gap, (3) smooth potential energy surfaces are easily obtained, (4) the Hamiltonian coupling between two basis states with non-orthogonal orbitals is greatly simplified. To illustrate the advantages over a conventional orthogonal CI expansion, we investigate exchange coupling constants of bimetallic complexes, the avoided crossing of the lowest singlet states during LiF dissociation, and ligand non-innocence in an organometallic complex. These numerical examples indicate that good qualitative agreement can be obtained with SF-NOCI, but dynamical correlation must be included to obtain quantitative accuracy.
C1 [Mayhall, Nicholas J.; Horn, Paul R.; Sundstroma, Eric J.; Head-Gordon, Martin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Mayhall, Nicholas J.; Horn, Paul R.; Sundstroma, Eric J.; Head-Gordon, Martin] Univ Calif Berkeley, Kenneth S Pitzer Ctr Theoret Chem, Dept Chem, Berkeley, CA 94720 USA.
RP Head-Gordon, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
EM m_headgordon@berkeley.edu
FU Advanced Computing (SciDAC) program - U.S. Department of Energy, Office
of Science, Advanced Scientific Computing Research, and Basic Energy
Sciences; U.S. Department of Energy, Office of Basic Energy Sciences,
Chemical Sciences, Geoscience, and Biosciences Division
[DEAC02-05-CH11231]
FX Support for this work was provided through the Scientific Discovery
through Advanced Computing (SciDAC) program funded by the U.S.
Department of Energy, Office of Science, Advanced Scientific Computing
Research, and Basic Energy Sciences. Additional support was provided by
the U.S. Department of Energy, Office of Basic Energy Sciences, Chemical
Sciences, Geoscience, and Biosciences Division, through Contract No.
DEAC02-05-CH11231.
NR 98
TC 5
Z9 5
U1 1
U2 34
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1463-9076
EI 1463-9084
J9 PHYS CHEM CHEM PHYS
JI Phys. Chem. Chem. Phys.
PY 2014
VL 16
IS 41
BP 22694
EP 22705
DI 10.1039/c4cp02818j
PG 12
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA AQ4KT
UT WOS:000342766500031
PM 25233435
ER
PT S
AU Benioff, P
AF Benioff, Paul
BE Donkor, E
Pirich, AR
Brandt, HE
Frey, MR
Lomonaco, SJ
Myers, JM
TI Effects of mathematical locality and number scaling on coordinate chart
use
SO QUANTUM INFORMATION AND COMPUTATION XII
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Quantum Information and Computation XII
CY MAY 08-09, 2014
CL Baltimore, MD
SP SPIE
DE Local mathematics; Number scaling; Scalar boson field; Local and global
coordinate charts and integrals
ID COHERENT THEORY; PHYSICS
AB A stronger foundation for earlier work on the effects of number scaling, and local mathematics is described. Emphasis is placed on the effects of scaling on coordinate systems. Effects of scaling are represented by a scalar field, theta, that appears in gauge theories as a spin zero boson. Gauge theory considerations led to the concept of local mathematics, as expressed through the use of universes, U-x, as collections of local mathematical systems at each point, x, of a space time manifold, M. Both local and global coordinate charts are described. These map M into either local or global coordinate systems within a universe or between universes, respectively. The lifting of global expressions of nonlocal physical quantities, expressed by space and or time integrals or derivatives on M, to integrals or derivatives on coordinate systems, is described.
The assumption of local mathematics and universes makes integrals and derivatives, on M or on global charts, meaningless. They acquire meaning only when mapped into a local universe. The effect of scaling, by including the effect of theta into the local maps, is described. The lack of experimental evidence for theta so far shows that the coupling constant of theta to matter fields must be very small compared to the fine structure constant. Also the gradient of theta must be very small in the local region of cosmological space and time occupied by us as observers. So far, there are no known restrictions on theta or its gradient in regions of space and/or time that are far away from our local region.
C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA.
RP Benioff, P (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA.
EM pbenioff@anl.gov
NR 26
TC 0
Z9 0
U1 0
U2 0
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-060-0
J9 PROC SPIE
PY 2014
VL 9123
AR 91230Q
DI 10.1117/12.2049705
PG 16
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BB3ZO
UT WOS:000343113500019
ER
PT J
AU Bhavsar, S
Veser, G
AF Bhavsar, Saurabh
Veser, Goetz
TI Chemical looping beyond combustion: production of synthesis gas via
chemical looping partial oxidation of methane
SO RSC ADVANCES
LA English
DT Article
ID CATALYTIC PARTIAL OXIDATION; TRANSITION-METAL CATALYSTS; OXYGEN
CARRIERS; CO2 CAPTURE; BED REACTOR; SYNGAS PRODUCTION; HYDROGEN;
GENERATION; CONVERSION; TECHNOLOGIES
AB The recent surge in natural gas reserves has revived interest in the development of novel processes to convert natural gas into valuable chemical feedstocks. In the present work, we are applying "chemical looping", a technology that has found much attention as a clean combustion technology, towards selective partial oxidation of methane to produce synthesis gas (CLPOM). By tailoring the composition of NixFe1-x-CeO2 oxygen carriers and carefully controlling the supply of oxygen, i.e., the extent of the carrier reduction and oxidation in redox cycles, the reactivity and selectivity of these carriers for partial oxidation was optimized. Addition of a small amount of Ni to iron oxides allowed the combination of the high reactivity of Ni for methane activation with the good syngas selectivity of iron oxides. An optimized carrier with the composition of Ni0.12Fe0.88-CeO2 demonstrated excellent stability in multi-cycle CLPOM operation and high syngas yields with a H-2 : CO ratio of similar to 2 and minimal carbon formation. Finally, a simplified fixed-bed reactor model was used to assess the thermal aspects of operating the process in a periodically operated fixed-bed reactor. We found that the process is highly sensitive to the degree of carrier utilization, but that maximum temperatures can be easily controlled in CLPOM via control of the active metal content and oxygen utilization in the carriers. Overall, chemical looping partial oxidation of methane emerges as an attractive alternative to conventional catalytic partial oxidation, enabling the use of low-cost transition metal oxides and air as oxidant, and resulting in inherently safe reactor operation by avoiding mixed methane/air streams.
C1 [Bhavsar, Saurabh; Veser, Goetz] Univ Pittsburgh, Dept Chem Engn, Swanson Sch Engn, Pittsburgh, PA 15261 USA.
[Bhavsar, Saurabh; Veser, Goetz] US DOE, Natl Energy Technol Lab, Pittsburgh, PA USA.
RP Veser, G (reprint author), Univ Pittsburgh, Dept Chem Engn, Swanson Sch Engn, Pittsburgh, PA 15261 USA.
EM gveser@pitt.edu
FU U.S. Department of Energy's National Energy Technology Laboratory
(through RDS) [DE-FE0004000]; National Science Foundation (CBET)
[1159853]
FX Financial support by the U.S. Department of Energy's National Energy
Technology Laboratory (through RDS contract DE-FE0004000) and by the
National Science Foundation (CBET #1159853) is gratefully acknowledged.
NR 44
TC 8
Z9 8
U1 5
U2 30
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 2014
VL 4
IS 88
BP 47254
EP 47267
DI 10.1039/c4ra06437b
PG 14
WC Chemistry, Multidisciplinary
SC Chemistry
GA AQ7YF
UT WOS:000343035800017
ER
PT S
AU Moody, DI
Brumby, SP
Rowland, JC
Altmann, GL
AF Moody, Daniela I.
Brumby, Steven P.
Rowland, Joel C.
Altmann, Garrett L.
BE Huang, B
Chang, CI
Lopez, JF
TI Land Cover Classification in Multispectral Satellite Imagery using
Sparse Approximations on Learned Dictionaries
SO SATELLITE DATA COMPRESSION, COMMUNICATIONS, AND PROCESSING X
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Satellite Data Compression, Communications, and Processing
X
CY MAY 08-09, 2014
CL Baltimore, MD
SP SPIE
DE land cover classification; multispectral learned dictionaries;
clustering of sparse approximations (CoSA); Hebbian learning;
spectral-textural features; WorldView-2 processing; unsupervised
classification
AB Techniques for automated feature extraction, including neuroscience-inspired machine vision, are of great interest for landscape characterization and change detection in support of global climate change science and modeling. We present results from an ongoing effort to extend machine vision methodologies to the environmental sciences, using state-of-theart adaptive signal processing, combined with compressive sensing and machine learning techniques. We use a modified Hebbian learning rule to build spectral-textural dictionaries that are tailored for classification. We learn our dictionaries from millions of overlapping multispectral image patches and then use a pursuit search to generate classification features. Land cover labels are automatically generated using CoSA: unsupervised Clustering of Sparse Approximations. We demonstrate our method on multispectral WorldView-2 data from a coastal plain ecosystem in Barrow, Alaska (USA). Our goal is to develop a robust classification methodology that will allow for automated discretization of the landscape into distinct units based on attributes such as vegetation, surface hydrological properties (e. g., soil moisture and inundation), and topographic/geomorphic characteristics. In this paper, we explore learning from both raw multispectral imagery, as well as normalized band difference indexes. We explore a quantitative metric to evaluate the spectral properties of the clusters, in order to potentially aid in assigning land cover categories to the cluster labels.
C1 [Moody, Daniela I.; Brumby, Steven P.; Rowland, Joel C.; Altmann, Garrett L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Moody, DI (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
OI Moody, Daniela/0000-0002-4452-8208
NR 10
TC 1
Z9 1
U1 0
U2 6
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-061-7
J9 PROC SPIE
PY 2014
VL 9124
AR 91240Y
DI 10.1117/12.2049843
PG 11
WC Engineering, Electrical & Electronic; Optics; Telecommunications
SC Engineering; Optics; Telecommunications
GA BB3YI
UT WOS:000343106000029
ER
PT S
AU Moody, DI
Smith, DA
AF Moody, Daniela I.
Smith, David A.
BE Huang, B
Chang, CI
Lopez, JF
TI Adaptive sparse signal processing of satellite-based radio frequency
(RF) recordings of lightning events
SO SATELLITE DATA COMPRESSION, COMMUNICATIONS, AND PROCESSING X
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Satellite Data Compression, Communications, and Processing
X
CY MAY 08-09, 2014
CL Baltimore, MD
SP SPIE
DE lightning classification; RF learned dictionaries; sparse
classification; on-orbit RF signal processing; sparse representations;
Hebbian dictionary
ID REPRESENTATION; DICTIONARIES
AB Ongoing research at Los Alamos National Laboratory studies the Earth's radio frequency (RF) background utilizing satellite-based RF observations of terrestrial lightning. Such impulsive events are dispersed through the ionosphere and appear as broadband nonlinear chirps at a receiver on-orbit. They occur in the presence of additive noise and structured clutter, making their classification challenging. The Fast On-orbit Recording of Transient Events (FORTE) satellite provided a rich RF lightning database. Application of modern pattern recognition techniques to this database may further lightning research in the scientific community, and potentially improve on-orbit processing and event discrimination capabilities for future satellite payloads. Conventional feature extraction techniques using analytical dictionaries, such as a short-time Fourier basis or wavelets, are not comprehensively suitable for analyzing the broadband RF pulses under consideration here. We explore an alternative approach based on non-analytical dictionaries learned directly from data, and extend two dictionary learning algorithms, K-SVD and Hebbian, for use with satellite RF data. Both algorithms allow us to learn features without relying on analytical constraints or additional knowledge about the expected signal characteristics. We then use a pursuit search over the learned dictionaries to generate sparse classification features, and discuss their performance in terms of event classification. We also use principal component analysis to analyze and compare the respective learned dictionary spaces to the real data space.
C1 [Moody, Daniela I.; Smith, David A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Moody, DI (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
OI Moody, Daniela/0000-0002-4452-8208
NR 21
TC 1
Z9 1
U1 0
U2 2
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-061-7
J9 PROC SPIE
PY 2014
VL 9124
AR 91240E
DI 10.1117/12.2049844
PG 11
WC Engineering, Electrical & Electronic; Optics; Telecommunications
SC Engineering; Optics; Telecommunications
GA BB3YI
UT WOS:000343106000012
ER
PT S
AU Griffin, BA
Habermehl, SD
Clews, PJ
AF Griffin, Benjamin A.
Habermehl, Scott D.
Clews, Peggy J.
BE Senesky, DG
DeKate, S
TI Development of an Aluminum Nitride-Silicon Carbide Material Set for High
Temperature Sensor Applications
SO SENSORS FOR EXTREME HARSH ENVIRONMENTS
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Sensors for Extreme Harsh Environments
CY MAY 07-08, 2014
CL Baltimore, MD
SP SPIE
DE aluminum nitride; silicon carbide; piezoelectric; harsh environment
ID MEMS; DIAMOND
AB A number of important energy and defense-related applications would benefit from sensors capable of withstanding extreme temperatures (>300 degrees C). Examples include sensors for automobile engines, gas turbines, nuclear and coal power plants, and petroleum and geothermal well drilling. Military applications, such as hypersonic flight research, would also benefit from sensors capable of 1000 degrees C. Silicon carbide (SiC) has long been recognized as a promising material for harsh environment sensors and electronics because it has the highest mechanical strength of semiconductors with the exception of diamond and its upper temperature limit exceeds 2500 C, where it sublimates rather than melts. Yet today, many advanced SiC MEMS are limited to lower temperatures because they are made from SiC films deposited on silicon wafers. Other limitations arise from sensor transduction by measuring changes in capacitance or resistance, which require biasing or modulation schemes that can withstand elevated temperatures. We are circumventing these issues by developing sensing structures directly on SiC wafers using SiC and piezoelectric aluminum nitride (AIN) thin films. SiC and AIN are a promising material combination due to their high thermal, electrical, and mechanical strength and closely matched coefficients of thermal expansion. AIN is also a non-ferroelectric piezoelectric material, enabling piezoelectric transduction at temperatures exceeding 1000 degrees C. In this paper, the challenges of incorporating these two materials into a compatible MEMS fabrication process are presented. The current progress and initial measurements of the fabrication process are shown. The future direction and the need for further investigation of the material set are addressed.
C1 [Griffin, Benjamin A.; Habermehl, Scott D.; Clews, Peggy J.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Griffin, BA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM bagriff@sandia.gov
NR 15
TC 0
Z9 0
U1 2
U2 9
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-050-1
J9 PROC SPIE
PY 2014
VL 9113
AR 91130A
DI 10.1117/12.2050896
PG 9
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BB4AN
UT WOS:000343119800008
ER
PT S
AU Hess, RF
Boyle, TJ
Limmer, S
Yelton, WG
Bingham, S
Stillman, G
Lindblom, S
Cieslewski, G
AF Hess, Ryan F.
Boyle, Timothy J.
Limmer, Steven
Yelton, William G.
Bingham, Samuel
Stillman, Greg
Lindblom, Scott
Cieslewski, Grzegorz
BE Senesky, DG
DeKate, S
TI Development of a downhole tool measuring real-time concentration of
ionic tracers and pH in geothermal reservoirs
SO SENSORS FOR EXTREME HARSH ENVIRONMENTS
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Sensors for Extreme Harsh Environments
CY MAY 07-08, 2014
CL Baltimore, MD
SP SPIE
AB For enhanced or Engineered Geothermal Systems (EGS) geothermal brine is pumped to the surface via the production wells, the heat extracted to turn a turbine to generate electricity, and the spent brine re-injected via injection wells back underground. If designed properly, the subsurface rock formations will lead this water back to the extraction well as heated brine. Proper monitoring of these geothermal reservoirs is essential for developing and maintaining the necessary level of productivity of the field. Chemical tracers are commonly used to characterize the fracture network and determine the connectivity between the injection and production wells. Currently, most tracer experiments involve injecting the tracer at the injection well, manually collecting liquid samples at the wellhead of the production well, and sending the samples off for laboratory analysis. While this method provides accurate tracer concentration data at very low levels of detection, it does not provide information regarding the location of the fractures which were conducting the tracer between wellbores. Sandia is developing a high-temperature electrochemical sensor capable of measuring tracer concentrations and pH downhole on a wireline tool. The goal of this effort is to collect real-time pH and ionic tracer concentration data at temperatures up to 225 degrees C and pressures up to 3000 psi. In this paper, a prototype electrochemical sensor and the initial data obtained will be presented detailing the measurement of iodide tracer concentrations at high temperature and pressure in a newly developed laboratory scale autoclave.
C1 [Hess, Ryan F.; Boyle, Timothy J.; Limmer, Steven; Yelton, William G.; Bingham, Samuel; Lindblom, Scott; Cieslewski, Grzegorz] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
[Stillman, Greg] US DOE, Washington, DC 20585 USA.
RP Hess, RF (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
OI Limmer, Steven/0000-0001-6588-372X
FU Department of Energy's Geothermal Technologies Office; U. S. Department
of Energy's National Nuclear Security Administration [DEAC04- 94AL85000.
( SAND 2014- 3157C)]
FX This work was funded by the Department of Energy's Geothermal
Technologies Office. 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 DEAC04-
94AL85000. ( SAND 2014- 3157C).
NR 5
TC 0
Z9 0
U1 1
U2 5
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-050-1
J9 PROC SPIE
PY 2014
VL 9113
AR UNSP 91130J
DI 10.1117/12.2051151
PG 10
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BB4AN
UT WOS:000343119800017
ER
PT S
AU Myers, TL
Cannon, BD
Brauer, CS
Crowther, BG
Hansen, SM
AF Myers, Tanya L.
Cannon, Bret D.
Brauer, Carolyn S.
Crowther, Blake G.
Hansen, Stewart M.
BE Senesky, DG
DeKate, S
TI Qualification of quantum cascade lasers for space environments
SO SENSORS FOR EXTREME HARSH ENVIRONMENTS
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Sensors for Extreme Harsh Environments
CY MAY 07-08, 2014
CL Baltimore, MD
SP SPIE
DE Quantum cascade lasers; radiation effects; space environments; proton
radiation; gamma radiation
ID DIODES; RADIATION
AB Laser-based instruments are enabling a new generation of scientific instruments for space environments such as those used in the exploration of Mars. The lasers must be robust and able to withstand the harsh environment of space, including radiation exposure. Quantum cascade lasers (QCLs), which are semiconductor lasers that emit in the infrared spectral region, offer the potential for the development of novel laser-based instruments for space applications. The performance of QCLs after radiation exposure, however, has not been reported. We report on work to quantify the performance of QCLs after exposure to two different radiation sources, 64 MeV protons and Cobalt-60 gamma rays, at radiation levels likely to be encountered during a typical space flight mission. No significant degradation in threshold current or slope efficiency is observed for any of the seven Fabry-Perot QCLs that are tested.
C1 [Myers, Tanya L.; Cannon, Bret D.; Brauer, Carolyn S.] Pacific NW Natl Lab, Richland, WA 95352 USA.
[Crowther, Blake G.; Hansen, Stewart M.] Utah State Univ, Dept Elect & Comp Engn, Logan, UT 84322 USA.
[Hansen, Stewart M.] Space Dynam Lab, Logan, UT 84322 USA.
RP Myers, TL (reprint author), Pacific NW Natl Lab, Richland, WA 95352 USA.
EM Tanya.Myers@pnnl.gov
NR 10
TC 0
Z9 0
U1 1
U2 4
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-050-1
J9 PROC SPIE
PY 2014
VL 9113
AR UNSP 91130Q
DI 10.1117/12.2053335
PG 11
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BB4AN
UT WOS:000343119800020
ER
PT J
AU Han, XY
Najm, HN
AF Han, Xiaoying
Najm, Habib N.
TI Dynamical Structures in Stochastic Chemical Reaction Systems
SO SIAM JOURNAL ON APPLIED DYNAMICAL SYSTEMS
LA English
DT Article
DE stochastic singular perturbation; stochastic chemical system; stochastic
Davis-Skodje system; random dynamical system; random invariant manifold;
random slow manifold
ID LOW-DIMENSIONAL MANIFOLDS; QUASI-STEADY-STATE; RANDOM ATTRACTORS;
DIFFERENTIAL-EQUATIONS; INVARIANT-MANIFOLDS; CSP METHOD; KINETICS; SLOW;
EQUILIBRIUM; ALGORITHM
AB Motivated by the need for dynamical analysis and model reduction in stiff stochastic chemical systems, we focus on the development of methodologies for analysis of the dynamical structure of singularly perturbed stochastic dynamical systems. We outline a formulation based on random dynamical system theory. We demonstrate the analysis for a model two-dimensional stochastic dynamical system built on an underlying deterministic system with a tailored fast-slow structure and an analytically known slow manifold, employing multiplicative Brownian motion noise forcing.
C1 [Han, Xiaoying] Auburn Univ, Dept Math & Stat, Auburn, AL 36849 USA.
[Najm, Habib N.] Sandia Natl Labs, Livermore, CA 94551 USA.
RP Han, XY (reprint author), Auburn Univ, Dept Math & Stat, Auburn, AL 36849 USA.
EM xzh0003@auburn.edu; hnnajm@sandia.gov
FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences, and Biosciences; U.S. Department of
Energy National Nuclear Security Administration [DE-AC04-94-AL85000]
FX This work was supported by the U.S. Department of Energy, Office of
Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and
Biosciences. 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 National
Nuclear Security Administration under contract DE-AC04-94-AL85000.
NR 42
TC 1
Z9 1
U1 1
U2 7
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 1536-0040
J9 SIAM J APPL DYN SYST
JI SIAM J. Appl. Dyn. Syst.
PY 2014
VL 13
IS 3
BP 1328
EP 1351
DI 10.1137/140957482
PG 24
WC Mathematics, Applied; Physics, Mathematical
SC Mathematics; Physics
GA AR0CT
UT WOS:000343234200013
ER
PT J
AU Vecharynski, E
Saad, Y
AF Vecharynski, Eugene
Saad, Yousef
TI FAST UPDATING ALGORITHMS FOR LATENT SEMANTIC INDEXING
SO SIAM JOURNAL ON MATRIX ANALYSIS AND APPLICATIONS
LA English
DT Article
DE latent semantic indexing; text mining; updating algorithm; singular
value decomposition; Rayleigh-Ritz procedure; Ritz singular values; Ritz
singular vectors; min-max characterization; low-rank approximation
ID INFORMATION-RETRIEVAL; LANCZOS BIDIAGONALIZATION; DECOMPOSITION
AB This paper discusses a few algorithms for updating the approximate singular value decomposition (SVD) in the context of information retrieval by latent semantic indexing (LSI) methods. A unifying framework is considered which is based on Rayleigh-Ritz projection methods. First, a Rayleigh-Ritz approach for the SVD is discussed and it is then used to interpret the Zha and Simon algorithms [SIAM J. Sci. Comput., 21 (1999), pp. 782-791]. This viewpoint leads to a few alternatives whose goal is to reduce computational cost and storage requirement by projection techniques that utilize subspaces of much smaller dimension. Numerical experiments show that the proposed algorithms yield accuracies comparable to those obtained from standard ones at a much lower computational cost.
C1 [Vecharynski, Eugene] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
[Saad, Yousef] Univ Minnesota, Dept Comp Sci & Engn, Minneapolis, MN 55455 USA.
RP Vecharynski, E (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
EM eugene.vecharynski@gmail.com; saad@cs.umn.edu
FU NSF [CCF-1318597]; Minnesota Supercomputing Institute
FX This work was supported by NSF, under grant CCF-1318597, and by the
Minnesota Supercomputing Institute.
NR 30
TC 2
Z9 2
U1 1
U2 3
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 0895-4798
EI 1095-7162
J9 SIAM J MATRIX ANAL A
JI SIAM J. Matrix Anal. Appl.
PY 2014
VL 35
IS 3
BP 1105
EP 1131
DI 10.1137/130940414
PG 27
WC Mathematics, Applied
SC Mathematics
GA AR0BR
UT WOS:000343229800014
ER
PT J
AU Heinkenschloss, M
Ridzal, D
AF Heinkenschloss, Matthias
Ridzal, Denis
TI A MATRIX-FREE TRUST-REGION SQP METHOD FOR EQUALITY CONSTRAINED
OPTIMIZATION
SO SIAM JOURNAL ON OPTIMIZATION
LA English
DT Article
DE sequential quadratic programming; trust-region; large-scale
optimization; matrix free; inexact linear system solvers;
PDE-constrained optimization; Krylov subspace methods
ID CONJUGATE-GRADIENT METHOD; GLOBAL CONVERGENCE; ALGORITHMS
AB We develop and analyze a trust-region sequential quadratic programming (SQP) method for the solution of smooth equality constrained optimization problems, which allows the inexact and hence iterative solution of linear systems. Iterative solution of linear systems is important in large-scale applications, such as optimization problems with partial differential equation constraints, where direct solves are either too expensive or not applicable. Our trust-region SQP algorithm is based on a composite-step approach that decouples the step into a quasi-normal and a tangential step. The algorithm includes critical modifications of substep computations needed to cope with the inexact solution of linear systems. The global convergence of our algorithm is guaranteed under rather general conditions on the substeps. We propose algorithms to compute the substeps and prove that these algorithms satisfy global convergence conditions. All components of the resulting algorithm are specified in such a way that they can be directly implemented. Numerical results indicate that our algorithm converges even for very coarse linear system solves.
C1 [Heinkenschloss, Matthias] Rice Univ, Dept Computat & Appl Math, Houston, TX 77005 USA.
[Ridzal, Denis] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Heinkenschloss, M (reprint author), Rice Univ, Dept Computat & Appl Math, MS-134, Houston, TX 77005 USA.
EM heinken@rice.edu; dridzal@sandia.gov
FU NSF [ACI-0121360, DMS-0511624, DMS-0915238]; U.S. Department of Energy's
National Nuclear Security Administration [DE-AC04-94AL85000]; DOE-SC
ASCR Office; DOE-NNSA ASC program
FX This author's research was supported in part by NSF grants ACI-0121360
and DMS-0511624, DMS-0915238.; 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. This author's research was supported by the
DOE-SC ASCR Office, through the John von Neumann Fellowship, and by the
DOE-NNSA ASC program.
NR 27
TC 4
Z9 4
U1 3
U2 8
PU SIAM PUBLICATIONS
PI PHILADELPHIA
PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA
SN 1052-6234
EI 1095-7189
J9 SIAM J OPTIMIZ
JI SIAM J. Optim.
PY 2014
VL 24
IS 3
BP 1507
EP 1541
DI 10.1137/130921738
PG 35
WC Mathematics, Applied
SC Mathematics
GA AR0BN
UT WOS:000343229000023
ER
PT S
AU Dyer, GC
Aizin, GR
Allen, SJ
Grine, AD
Bethke, D
Reno, JL
Shaner, EA
AF Dyer, Gregory C.
Aizin, Gregory R.
Allen, S. James
Grine, Albert D.
Bethke, Don
Reno, John L.
Shaner, Eric A.
BE Anwar, MF
Crowe, TW
Manzur, T
TI Coherent phenomena in terahertz 2D plasmonic structures: strong
coupling, plasmonic crystals, and induced transparency by coupling of
localized modes
SO TERAHERTZ PHYSICS, DEVICES, AND SYSTEMS VIII: ADVANCED APPLICATIONS IN
INDUSTRY AND DEFENSE
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Terahertz Physics, Devices, and Systems VIII - Advanced
Applications in Industry and Defense
CY MAY 05-06, 2014
CL Baltimore, MA
SP SPIE
DE terahertz; plasmonic crystal; Tamm states; 2DEG; homodyne mixing;
terahertz detectors; 2D plasmons; far infrared
ID ELECTROMAGNETICALLY INDUCED TRANSPARENCY; 2-DIMENSIONAL ELECTRON-GAS;
GRAPHENE PLASMONS; INVERSION-LAYERS; METAMATERIALS; NANOSTRUCTURES;
GENERATION; RESONANCE; DEVICES; STATES
AB The device applications of plasmonic systems such as graphene and two dimensional electron gases (2DEGs) in III-V heterostructures include terahertz detectors, mixers, oscillators and modulators. These two dimensional (2D) plasmonic systems are not only well-suited for device integration, but also enable the broad tunability of underdamped plasma excitations via an applied electric field. We present demonstrations of the coherent coupling of multiple voltage tuned GaAs/AlGaAs 2D plasmonic resonators under terahertz irradiation. By utilizing a plasmonic homodyne mixing mechanism to downconvert the near field of plasma waves to a DC signal, we directly detect the spectrum of coupled plasmonic micro-resonator structures at cryogenic temperatures. The 2DEG in the studied devices can be interpreted as a plasmonic waveguide where multiple gate terminals control the 2DEG kinetic inductance. When the gate tuning of the 2DEG is spatially periodic, a one-dimensional finite plasmonic crystal forms. This results in a subwavelength structure, much like a metamaterial element, that nonetheless Bragg scatters plasma waves from a repeated crystal unit cell. A 50% in situ tuning of the plasmonic crystal band edges is observed. By introducing gate-controlled defects or simply terminating the lattice, localized states arise in the plasmonic crystal. Inherent asymmetries at the finite crystal boundaries produce an induced transparency-like phenomenon due to the coupling of defect modes and crystal surface states known as Tamm states. The demonstrated active control of coupled plasmonic resonators opens previously unexplored avenues for sensitive direct and heterodyne THz detection, planar metamaterials, and slow-light devices.
C1 [Dyer, Gregory C.; Grine, Albert D.; Bethke, Don; Reno, John L.; Shaner, Eric A.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
[Allen, S. James] UC Santa Barbara, Inst Terahertz Sci & Technol, Santa Barbara, CA 11235 USA.
[Aizin, Gregory R.] UC Santa Barbara, BKingsborough Coll, New York, NY 93106 USA.
RP Dyer, GC (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
FU DOE Office of Basic Energy Science; U. S. Department of Energy's
National Nuclear Security Administration [DE- AC04- 94AL85000]
FX The work at Sandia National Laboratories was supported by the DOE Office
of Basic Energy Sciences. This work was performed, in part, at the
Center for Integrated Nanotechnologies, a U. S. Department of Energy,
Office of Basic Energy Sciences user facility. Sandia National
Laboratories is a multi- program laboratory managed and operated by
Sandia Corporation, a wholly owned subsidiary of Lockheed Martin
Corporation, for the U. S. Department of Energy's National Nuclear
Security Administration under contract DE- AC04- 94AL85000.
NR 37
TC 0
Z9 0
U1 3
U2 29
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-039-6
J9 PROC SPIE
PY 2014
VL 9102
AR UNSP 91020L
DI 10.1117/12.2053629
PG 14
WC Optics; Physics, Applied
SC Optics; Physics
GA BB3RL
UT WOS:000343004600016
ER
PT S
AU Hart, R
Boldt, J
Rosenberg, M
AF Hart, Reid
Boldt, Jeff
Rosenberg, Michael
GP ASHRAE
TI Pre-cooling Chilled Water Return - Replacing Yesterday's Strainer Cycle
SO ASHRAE TRANSACTIONS 2014, VOL 120, PT 1
SE ASHRAE Transactions
LA English
DT Proceedings Paper
CT ASHRAE Winter Conference
CY 2014
CL New York, NY
SP ASHRAE
AB Following the oil embargo energy crises in the 1970's, chilled water plant operators used a "strainer cycle" to reduce chiller energy use when the cooling tower could provide adequate chilled water temperature to meet load. This approach was refined over the years with the introduction of plate and frame heat exchangers that avoided contaminating the chilled water system with water from the cooling tower. Analysis of a generic fluid-cooler arrangement that precools chilled water return has shown that a water economizer is generally cost effective based on the capacity of chilled water served systems that do not have airside economizers.
Based on this cost effectiveness, proposed Addendum DU to ANSI/ASHRAE/IESNA Standard 90.1-2010 would extend the requirement for an economizer to chilled water systems that were formerly exempt due to being below the individual fan system size threshold. This proposal will provide cost effective savings for radiant cooling systems, chilled beams, and fan coil units when the total capacity without air economizers is large enough. This paper reviews some approaches to achieving the savings, cost effectiveness analysis, provisions for colder climates where freeze protection is a concern, and alternate system configurations.
C1 [Hart, Reid; Rosenberg, Michael] Pacific Northwest Natl Lab, Richland, WA 99352 USA.
[Boldt, Jeff] KJWW Engn, Director Engn, Madison, WI USA.
RP Hart, R (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA.
NR 8
TC 0
Z9 0
U1 0
U2 4
PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS
PI ATLANTA
PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA
SN 0001-2505
J9 ASHRAE TRAN
PY 2014
VL 120
IS 1
PG 8
WC Thermodynamics; Construction & Building Technology
SC Thermodynamics; Construction & Building Technology
GA BB3GM
UT WOS:000342765800045
ER
PT S
AU Lutz, J
AF Lutz, Jim
GP ASHRAE
TI Typical Hot Water Draw Patterns Based on Field Data
SO ASHRAE TRANSACTIONS 2014, VOL 120, PT 1
SE ASHRAE Transactions
LA English
DT Proceedings Paper
CT ASHRAE Winter Conference
CY 2014
CL New York, NY
SP ASHRAE
AB Daily hot water use is highly variable both between residences and within the same residence on different days. Determining typical hot water draw patterns to use in test procedures to rate water heaters has been difficult. Methods to compare draw patterns were developed based on data obtained from 12 separate field studies. The data set from 22,902 days in 159 houses was analyzed to determine typical inlet and outlet water temperatures. The data was then divided into three clusters reflecting house configurations that demonstrated small, medium, or large median daily hot water use. The daily hot water use within each cluster was then analyzed in terms of volume and number of hot water draws. The daily draw patterns in each cluster were also characterized using cumulative distributions for volume of draws, duration of draws, times since previous draw, and flow rates. The results of the analysis of the field data were compared to the conditions and draw patterns in the current ASHRAE method of test for rating residential water heaters. The results show a higher number of smaller draws at lower flow rates than used in the current test procedure. The results of the analysis are being considered by ASHRAE standard project committee 118.2, Method of Testing for Rating Residential Water Heaters, to revise the test procedure for residential water heaters to incorporate a range of draw patterns.
C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
RP Lutz, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
NR 4
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS
PI ATLANTA
PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA
SN 0001-2505
J9 ASHRAE TRAN
PY 2014
VL 120
IS 1
PG 8
WC Thermodynamics; Construction & Building Technology
SC Thermodynamics; Construction & Building Technology
GA BB3GM
UT WOS:000342765800053
ER
PT S
AU Maguire, J
Burch, J
Merrigan, T
Ong, S
AF Maguire, Jeff
Burch, Jay
Merrigan, Tim
Ong, Sean
GP ASHRAE
TI Regional Variation in Residential Heat Pump Water Heater Performance in
the US
SO ASHRAE TRANSACTIONS 2014, VOL 120, PT 1
SE ASHRAE Transactions
LA English
DT Proceedings Paper
CT ASHRAE Winter Conference
CY 2014
CL New York, NY
SP ASHRAE
AB Residential heat pump water heaters (HPWHs) have recently reemerged on the U. S. market. These units have the potential to provide homeowners significant cost and energy savings. However, actual in-use performance of an HPWH will vary significantly with climate, installation location, HVAC equipment, and hot water use. In conditioned space, the cooling provided by the HPWH can be either a net benefit or a penalty depending on climate; in unconditioned space the ambient air temperature has a significant impact on its performance. To determine the in-use energy consumption of an HPWH in different regions, annual simulations of 50 and 80 gallon HPWHs as well as a standard electric resistance water heater installed in conditioned and unconditioned spaces were performed for more than 900 locations across the U. S. The simulations included a benchmark home to account for interactions between the space conditioning equipment and the HPWH and a realistic hot water draw profile that varied between 45 and 60 gallons per day with local mains water temperature. Results showed that the HPWH will always save some source energy compared to a standard electric water heater, although savings vary widely with location. In addition to source energy savings, the breakeven cost (the net installed cost an HPWH would have to have to be a cost neutral replacement for a standard water heater) was also examined. The highest breakeven costs were seen in cases with high energy savings, such as the Southeast, or high energy rates, such as New England and California. Although the breakeven cost is higher for the 80 gallon HPWH than for the 50 gallon HPWH, the 80 gallon unit's higher net installed costs makes it likely that the 50 gallon HPWH will be more cost effective.
C1 [Maguire, Jeff; Burch, Jay; Merrigan, Tim; Ong, Sean] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Maguire, J (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
NR 16
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS
PI ATLANTA
PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA
SN 0001-2505
J9 ASHRAE TRAN
PY 2014
VL 120
IS 1
PG 8
WC Thermodynamics; Construction & Building Technology
SC Thermodynamics; Construction & Building Technology
GA BB3GM
UT WOS:000342765800030
ER
PT S
AU Metzger, I
Sheppy, M
Cutler, D
AF Metzger, Ian
Sheppy, Michael
Cutler, Dylan
GP ASHRAE
TI Reducing Office Plug Loads through Simple and Inexpensive Advanced Power
Strips
SO ASHRAE TRANSACTIONS 2014, VOL 120, PT 1
SE ASHRAE Transactions
LA English
DT Proceedings Paper
CT ASHRAE Winter Conference
CY 2014
CL New York, NY
SP ASHRAE
AB As efficiency gains are made in building lighting and HVAC systems, plug loads become a greater percentage of building energy use and must be addressed to meet energy goals. HVAC and lighting systems are targeted because they are typically the highest energy end uses, but plug load reduction and control should be considered as part of a comprehensive approach to energy reduction. In a minimally code compliant office building, plug loads typically account for 25% of the total electrical load. In an ultra-efficient office building, plug loads are typically one of the last end uses to be considered for energy conservation and, as a result, can account for more than 50% of the total electrical load (Lobato et. al, 2011). Plug load efficiency strategies are different than other building efficiency strategies because they involve relatively small loads distributed throughout a building. These loads typically move around in the building when office configuration changes are made, so these loads may shift between circuits over time. Commercially available advanced power strips (APS) can be used to mitigate wasted energy from most plug loads and, in many cases, can have a return-on-investment of approximately two years or less. In recent technology demonstrations, data from occupancy sensors tracking plug load reductions with occupancy have shown energy-saving potential for both business and nonbusiness hours. Also, dense panel-level sub-metering has been used to quantify whole-building receptacle circuit energy consumption, energy savings, and return-on-investment for the whole building. Receptacle-level metering has been used to show the plug load energy consumption of individual devices and workstations. This paper documents the process (and results) of applying advanced power strips with various control approaches.
C1 [Metzger, Ian; Sheppy, Michael; Cutler, Dylan] US DOE, Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Metzger, I (reprint author), US DOE, Natl Renewable Energy Lab, Golden, CO 80401 USA.
NR 7
TC 0
Z9 0
U1 1
U2 2
PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS
PI ATLANTA
PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA
SN 0001-2505
J9 ASHRAE TRAN
PY 2014
VL 120
IS 1
PG 8
WC Thermodynamics; Construction & Building Technology
SC Thermodynamics; Construction & Building Technology
GA BB3GM
UT WOS:000342765800039
ER
PT S
AU Romero, R
Hickey, CJ
AF Romero, Rachel
Hickey, Captain John
GP ASHRAE
TI High Performance Residential Housing Units at US Coast Guard Base Kodiak
SO ASHRAE TRANSACTIONS 2014, VOL 120, PT 1
SE ASHRAE Transactions
LA English
DT Proceedings Paper
CT ASHRAE Winter Conference
CY 2014
CL New York, NY
SP ASHRAE
AB The United States Coast Guard (USCG) constructs residential housing throughout the country using a basic template that must meet the minimum Leadership in Energy and Environmental Design (LEED) Silver criteria or better for the units. In Kodiak, Alaska, USCG is procuring between 24 and 100 residential multifamily housing units. Priorities for the Kodiak project were to reduce overall energy consumption by at least 20% over existing units, improve envelope construction, and evaluate space heating options. USCG is challenged with maintaining similar existing units that have complicated residential diesel boilers. Additionally, fuel and material costs are high in Kodiak. While USCG has worked to optimize the performance of the housing units with principles of improved building envelope, the engineers realize there are still opportunities for improvement, especially within the heating, ventilation, and air conditioning (HVAC) system and different envelope measures. USCG staff also desires to balance higher upfront project costs for significantly reduced life-cycle costs of the residential units that have an expected lifetime of 50 or more years. To answer these questions, this analysis used the residential modeling tool BEoptE+ to examine potential energy-saving opportunities for the climate. The results suggest criteria for achieving optimized housing performance at the lowest cost. USCG will integrate the criteria into their procurement process.
To achieve greater than 50% energy savings, USCG will need to specify full 2x6 inch (38x140 mm) wood stud R-21 (R-3.7 m(2)K/W) insulation with 2 inches (50.8 mm) of exterior foam, R-38 (R-6.7 m(2)K/W) ceiling insulation or even wall insulation in the crawl space, and R-49 (R-8.6 m(2)K/W) fiberglass batts in the vented attic. The air barrier should be improved to ensure a tight envelope with minimal infiltration to the goal of 2.0 ACH50. With the implementation of an air source heat pump for space heating requirements, the combination of HVAC and envelope savings in the residential unit can save up to 58% in source energy over existing residential units.
C1 [Romero, Rachel] Natl Renewable Energy Lab, Integrated Applicat Ctr, Golden, CO 80401 USA.
[Hickey, Captain John] Coast Guard Shore Maintenance Command, Seattle, WA USA.
RP Romero, R (reprint author), Natl Renewable Energy Lab, Integrated Applicat Ctr, Golden, CO 80401 USA.
NR 6
TC 0
Z9 0
U1 0
U2 0
PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS
PI ATLANTA
PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA
SN 0001-2505
J9 ASHRAE TRAN
PY 2014
VL 120
IS 1
PG 9
WC Thermodynamics; Construction & Building Technology
SC Thermodynamics; Construction & Building Technology
GA BB3GM
UT WOS:000342765800070
ER
PT S
AU Staats, WL
Matthew, ND
Hecht, ES
Johnson, TA
Koplow, J
AF Staats, Wayne L.
Matthew, Ned Daniel
Hecht, Ethan S.
Johnson, Terry A.
Koplow, Jeff
GP ASHRAE
TI Heat Transfer and Pressure Drop Performance of the Air Bearing Heat
Exchanger
SO ASHRAE TRANSACTIONS 2014, VOL 120, PT 1
SE ASHRAE Transactions
LA English
DT Proceedings Paper
CT ASHRAE Winter Conference
CY 2014
CL New York, NY
SP ASHRAE
AB The thermal performance of air-cooled heat exchangers has a direct impact on the energy efficiency of many HVAC&R devices. The fundamental limitation of these air-cooled heat exchangers is the thermal resistance of the boundary layer at the solid-air interface. To improve the air side heat transfer, passive convective enhancement techniques are often employed, but these result in undesirable increases in pressure drop and higher susceptibility to fouling. The air bearing heat exchanger (ABHE), invented by Koplow (2010), circumvents some of the inherent physical limitations of conventional heat exchanger topologies and has subsequently demonstrated unprecedented air-side thermal performance, especially in volume-constrained applications.
The ABHE described in this study comprises a 10 cm [3.9 in] diameter stationary baseplate and a rotating impeller separated by a similar to 10 mu m [0.39.10(-3) in] hydrodynamic (i.e. self-sustained) air bearing. A thermal load is applied to the bottom of the baseplate and flows across the air bearing and into the rotating impeller. The impeller has fins that extend away from the baseplate and are shaped to act as centrifugal fan blades, inducing the surrounding ambient air to enter axially and exit radially. During this process the air absorbs the aforementioned thermal load originating from the baseplate. A key concept of the ABHE is that the hot fin surfaces reside in a rotating reference frame, which imposes a centrifugal body force on fluid particles in the boundary layer on the fins. This additional body force causes the boundary layer to remain very thin and results in an enhanced heat transfer coefficient.
In this work, we present numerical simulation results and experimental measurements to demonstrate the performance of two different 10 cm [3.9 in] diameter ABHE designs. We used ANSYS CFX to predict the flow and heat transfer characteristics at the free delivery point, and we validated these simulation results with several experiments: we (1) measured fan curves at several rotational speeds on a custom-made flow bench, and (2) measured the heat transfer coefficient at several rotational speeds at the free delivery point. These results confirm that the ABHE is capable of levels of performance beyond the state-of-the-art; for example, one design was measured to have an air side primary convective heat transfer coefficient of 2000 W/m(2).K [350 Btu/h.ft(2).degrees F] at 4500 rpm. In addition, we observed that its pumping performance surpassed axial fans of comparable diameter (e. g. at 3750 rpm, it had a 150 Pa [0.60 inH(2)O] shut-off pressure and a 2370 L/min [83.7ft(3)/min] free delivery flow rate).
C1 [Staats, Wayne L.; Matthew, Ned Daniel; Hecht, Ethan S.; Johnson, Terry A.; Koplow, Jeff] Sandia Natl Labs, Livermore, CA 94550 USA.
RP Staats, WL (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA.
NR 8
TC 0
Z9 0
U1 1
U2 8
PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS
PI ATLANTA
PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA
SN 0001-2505
J9 ASHRAE TRAN
PY 2014
VL 120
IS 1
PG 8
WC Thermodynamics; Construction & Building Technology
SC Thermodynamics; Construction & Building Technology
GA BB3GM
UT WOS:000342765800082
ER
PT S
AU Sullivan, T
Heiser, J
Watson, T
Wilke, R
Kalb, P
AF Sullivan, Terry
Heiser, John
Watson, Tom
Wilke, Rick
Kalb, Paul
GP ASHRAE
TI Effects of Outdoor Smoking Areas and Weather Conditions on Indoor Air
Quality
SO ASHRAE TRANSACTIONS 2014, VOL 120, PT 1
SE ASHRAE Transactions
LA English
DT Proceedings Paper
CT ASHRAE Winter Conference
CY 2014
CL New York, NY
SP ASHRAE
AB At the Research Support Building at Brookhaven National Laboratory building occupants complained of second hand smoke from people smoking outdoors. This building consists of two wings (North and South) joined by an Atrium. Tests were conducted to quantify the in-leakage from outdoor smoking using five gaseous perfluorocarbon tracers (PFTs) released at the two designated and two 'unofficial' outdoor smoking areas, and one in the building. Two test campaigns were conducted (Fall and Winter). The Fall test data supports an increased likelihood of noticing cigarette smoke from the outdoors by the occupants in the North wing as compared to other areas of the building. Concentrations of tracers released outdoors were a few percent of the tracer released indoors. The second campaign in the Winter used Brookhaven Atmospheric Tracer Samplers (BATS) to sample hourly over the PFTs over a 2 day period. During the day, in-leakage was similar to the fall test. However, a temperature inversion occurred during the evening and the winds were calm for a six hour period. During this period three tracers showed a substantial (a factor of 10) increase in concentration as compared to their values in the day when the temperature inversion was not present. The tracer PDCB released from an 'unofficial' smoking area had a peak concentration of 19% when normalized to the tracer released indoors during this period.
C1 [Sullivan, Terry] Brookhaven Natl Lab, Deputy Div Head Environm Res & Technol, Upton, NY 11973 USA.
[Heiser, John; Watson, Tom; Wilke, Rick; Kalb, Paul] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Sullivan, T (reprint author), Brookhaven Natl Lab, Deputy Div Head Environm Res & Technol, Upton, NY 11973 USA.
NR 5
TC 0
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U1 0
U2 1
PU AMER SOC HEATING, REFRIGERATING AND AIR-CONDITIONING ENGS
PI ATLANTA
PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA
SN 0001-2505
J9 ASHRAE TRAN
PY 2014
VL 120
IS 1
PG 8
WC Thermodynamics; Construction & Building Technology
SC Thermodynamics; Construction & Building Technology
GA BB3GM
UT WOS:000342765800034
ER
PT J
AU Shi, H
Du, D
Su, ZH
Peng, QY
AF Shi, Han
Du, Dong
Su, Zhihong
Peng, Qiyu
TI A flood map based DOI decoding method for block detector: A GATE
simulation study
SO BIO-MEDICAL MATERIALS AND ENGINEERING
LA English
DT Article
DE Positron emission tomography; depth of interaction; GATE simulation
ID PET; DESIGN
AB Positron Emission Tomography (PET) systems using detectors with Depth of Interaction (DOI) capabilities could achieve higher spatial resolution and better image quality than those without DOI. Up till now, most DOI methods developed are not cost-efficient for a whole body PET system. In this paper, we present a DOI decoding method based on flood map for low-cost conventional block detector with four-PMT readout. Using this method, the DOI information can be directly extracted from the DOI-related crystal spot deformation in the flood map. GATE simulations are then carried out to validate the method, confirming a DOI sorting accuracy of 85.27%. Therefore, we conclude that this method has the potential to be applied in conventional detectors to achieve a reasonable DOI measurement without dramatically increasing their complexity and cost of an entire PET system.
C1 [Shi, Han; Du, Dong] Tsinghua Univ, Beijing 100084, Peoples R China.
[Su, Zhihong] Southern Med Univ, Guangzhou, Guangdong, Peoples R China.
[Peng, Qiyu] Lawrence Berkeley Natl Lab, Berkeley, CA USA.
RP Du, D (reprint author), Tsinghua Univ, Dept Mech Engineer, Welding Bldg Room 113, Beijing 100084, Peoples R China.
EM dudong@tsinghua.edu.cn
FU China Scholarship Council [201206210102]; International Science &
Technology Cooperation Program of China [2013DFB30270]
FX This work was supported in part by China Scholarship Council
(201206210102) and International Science & Technology Cooperation
Program of China (2013DFB30270).
NR 13
TC 0
Z9 0
U1 0
U2 5
PU IOS PRESS
PI AMSTERDAM
PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS
SN 0959-2989
EI 1878-3619
J9 BIO-MED MATER ENG
JI Bio-Med. Mater. Eng.
PY 2014
VL 24
IS 6
BP 3121
EP 3127
DI 10.3233/BME-141134
PG 7
WC Engineering, Biomedical; Materials Science, Biomaterials
SC Engineering; Materials Science
GA AQ7NW
UT WOS:000343005700137
PM 25227021
ER
PT J
AU Maestrini, B
Abiven, S
Singh, N
Bird, J
Torn, MS
Schmidt, MWI
AF Maestrini, B.
Abiven, S.
Singh, N.
Bird, J.
Torn, M. S.
Schmidt, M. W. I.
TI Carbon losses from pyrolysed and original wood in a forest soil under
natural and increased N deposition
SO BIOGEOSCIENCES
LA English
DT Article
ID PYROGENIC ORGANIC-MATTER; SIMULATED NITROGEN DEPOSITION; RATIO
MASS-SPECTROMETRY; BLACK CARBON; LITTER DECOMPOSITION; TWIG LITTER; CO2
EFFLUX; MINERALIZATION; BIOCHAR; RESPIRATION
AB Pyrogenic organic matter (PyOM) plays an important role as a stable carbon (C) sink in the soils of terrestrial ecosystems. However, uncertainties remain about in situ turnover rates of fire-derived PyOM in soil, the main processes leading to PyOM-C and nitrogen (N) losses from the soil, and the role of N availability on PyOM cycling in soils. We measured PyOM and native soil organic carbon losses from the soil as carbon dioxide and dissolved organic carbon (DOC) using additions of highly C-13-labelled PyOM (2.03 atom %) and its precursor pinewood during 1 year in a temperate forest soil. The field experiment was carried out under ambient and increased mineral N deposition (+60 kg N-NH4NO3 ha(-1) year(-1)). The results showed that after 1 year: (1) 0.5% of PyOM-C and 22% of wood-C were mineralized as CO2, leading to an estimated turnover time of 191 and 4 years, respectively; (2) the quantity of PyOM and wood lost as dissolved organic carbon was negligible (0.0004 +/- 0.0003% and 0.022 +/- 0.007 % of applied-C, respectively); and (3) N additions decreased cumulative PyOM mineralization by 43 %, but did not affect cumulative wood mineralization and did not affect the loss of DOC from PyOM or wood. We conclude that mineralization to CO2 was the main process leading to PyOM losses during the first year of mineralization in a forest soil, and that N addition can decrease PyOM-C cycling, while added N showed no effect on wood C cycling.
C1 [Maestrini, B.; Abiven, S.; Singh, N.; Schmidt, M. W. I.] Univ Zurich, Dept Geog, CH-8057 Zurich, Switzerland.
[Bird, J.] CUNY Queens Coll, Sch Earth & Environm Sci, Flushing, NY 11367 USA.
[Torn, M. S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Abiven, S (reprint author), Univ Zurich, Dept Geog, Winterthurerstr 190, CH-8057 Zurich, Switzerland.
EM samuel.abiven@geo.uzh.ch
RI Bird, Jeffrey/H-8751-2012; Torn, Margaret/D-2305-2015; Schmidt,
Michael/G-5186-2012;
OI Bird, Jeffrey/0000-0002-0939-0637; Abiven, Samuel/0000-0002-5663-0912;
Schmidt, Michael/0000-0002-7227-0646; Maestrini,
Bernardo/0000-0002-9438-0678
FU Swiss National Science Foundation (SNSF); Office of Science, Office of
Biological and Environmental Research, Climate and Environmental Science
Division of the US Department of Energy [DE-AC02-05CH11231]; University
of Zurich Research Priority Program (URPP) "Global Change and
Biodiversity"
FX The Swiss National Science Foundation (SNSF) financially supported this
study. This work was also supported by the Director, Office of Science,
Office of Biological and Environmental Research, Climate and
Environmental Science Division, of the US Department of Energy under
Contract No. DE-AC02-05CH11231 to Berkeley Laboratory. This study was
supported by the University of Zurich Research Priority Program (URPP)
"Global Change and Biodiversity". We thank Sarah Bosch and Ryan
Christinger for their help in setting the experimental field plots,
Marisa Brauchli, Charlotte Huber, Verena Lanny, Fabian Zust and Stefanie
Mueller for the help in field measurement, and Ivan Woodhatch for the
technical help and support in the set-up. We also thank Michael Hilf,
Bruno Kaegi, and Claudia Schreiner for their assistance in various
laboratory analyses carried out at the University of Zurich. We further
extend our thanks to Noureddine Hajjar for support in TOC analysis at
the Institute for Forest, Snow and Landscape research (WSL). We would
also like to acknowledge Rolf Siegwolf, Matthias Saurer, and Catharina
Lotscher for support in the isotope analysis at Paul Scherrer Institute
(PSI), Switzerland. We are also extremely grateful to the reviewers who
helped to improve the manuscript as well as the authors of the online
comments on an early version of the manuscript.
NR 68
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U1 1
U2 39
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
EI 1726-4189
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2014
VL 11
IS 18
BP 5199
EP 5213
DI 10.5194/bg-11-5199-2014
PG 15
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA AQ8XA
UT WOS:000343120900020
ER
PT J
AU Gu, B
Mishra, B
Miller, C
Wang, W
Lai, B
Brooks, SC
Kemner, KM
Liang, L
AF Gu, B.
Mishra, B.
Miller, C.
Wang, W.
Lai, B.
Brooks, S. C.
Kemner, K. M.
Liang, L.
TI X-ray fluorescence mapping of mercury on suspended mineral particles and
diatoms in a contaminated freshwater system
SO BIOGEOSCIENCES
LA English
DT Article
ID NATURAL ORGANIC-MATTER; ANOXIC ENVIRONMENTS; FULVIC-ACID; IRON-OXIDE;
OAK-RIDGE; ADSORPTION; METHYLMERCURY; DESORPTION; SPECIATION; GOETHITE
AB Mercury (Hg) bioavailability and geochemical cycling is affected by its partitioning between the aqueous and particulate phases. We applied a synchrotron-based Xray fluorescence (XRF) microprobe to visualize and quantify directly the spatial localization of Hg and its correlations with other elements of interest on suspended particles from a Hg-contaminated freshwater system. Up to 175 mu g g(-1) Hg is found on suspended particles, but less than 0.01% is in the form of methylmercury. Mercury is heterogeneously distributed among phytoplankton (e.g., diatoms) and mineral particles that are rich in iron oxides and natural organic matter (NOM). The diatom-bound Hg is mostly found on outer surfaces of the cells, suggesting passive sorption of Hg on diatoms. Our results indicate that localized sorption of Hg onto suspended particles, including diatoms and NOM-coated oxide minerals, may play an important role in affecting the partitioning, reactivity, and biogeochemical cycling of Hg in natural aquatic environments.
C1 [Gu, B.; Miller, C.; Wang, W.; Brooks, S. C.; Liang, L.] Oak Ridge Natl Lab, Environm Sci Div, Oak Ridge, TN 37831 USA.
[Mishra, B.; Kemner, K. M.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA.
[Lai, B.] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA.
RP Gu, B (reprint author), Oak Ridge Natl Lab, Environm Sci Div, Oak Ridge, TN 37831 USA.
EM gub1@ornl.gov
RI Liang, Liyuan/O-7213-2014; Wang, Wei/B-5924-2012; Brooks,
Scott/B-9439-2012; Gu, Baohua/B-9511-2012
OI Liang, Liyuan/0000-0003-1338-0324; Brooks, Scott/0000-0002-8437-9788;
Gu, Baohua/0000-0002-7299-2956
FU Office of Biological and Environmental Research (BER), Office of
Science, US Department of Energy (DOE) as part of the Mercury Science
Focus Area Program at ORNL [DE-AC05-00OR22725]; Subsurface Science Focus
Area program at Argonne National Laboratory (ANL) by BER
[DE-AC02-06CH11357]; DOE [DE-AC02-06CH11357]
FX This research was sponsored by the Office of Biological and
Environmental Research (BER), Office of Science, US Department of Energy
(DOE) as part of the Mercury Science Focus Area Program at ORNL, which
is managed by UT-Battelle LLC for the DOE under contract
DE-AC05-00OR22725. Partial support for B. Mishra and K. M. Kemner was
provided by the Subsurface Science Focus Area program at Argonne
National Laboratory (ANL) which is supported by BER under contract
DE-AC02-06CH11357. Use of the Advanced Photon Source, an Office of
Science User Facility at ANL, was supported by DOE under contract
DE-AC02-06CH11357.
NR 43
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Z9 4
U1 8
U2 39
PU COPERNICUS GESELLSCHAFT MBH
PI GOTTINGEN
PA BAHNHOFSALLEE 1E, GOTTINGEN, 37081, GERMANY
SN 1726-4170
EI 1726-4189
J9 BIOGEOSCIENCES
JI Biogeosciences
PY 2014
VL 11
IS 18
BP 5259
EP 5267
DI 10.5194/bg-11-5259-2014
PG 9
WC Ecology; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA AQ8XA
UT WOS:000343120900024
ER
PT J
AU Tao, F
Stach, EA
Browning, ND
AF Tao, Franklin (Feng)
Stach, Eric A.
Browning, Nigel D.
TI Structure of catalyst particles from in-situ electron microscopy: a web
themed issue
SO CHEMICAL COMMUNICATIONS
LA English
DT Editorial Material
ID FISCHER-TROPSCH SYNTHESIS; HIGH-RESOLUTION; ENVIRONMENTAL CELL; TEM;
GROWTH; FUELS
C1 [Tao, Franklin (Feng)] Univ Kansas, Dept Chem & Petr Engn, Lawrence, KS 66045 USA.
[Tao, Franklin (Feng)] Univ Kansas, Dept Chem, Lawrence, KS 66045 USA.
[Stach, Eric A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Browning, Nigel D.] Pacific NW Natl Lab, Chem & Mat Sci Div, Richland, WA 99352 USA.
RP Tao, F (reprint author), Univ Kansas, Dept Chem & Petr Engn, Lawrence, KS 66045 USA.
EM franklin.tao.2011@gmail.com
RI Stach, Eric/D-8545-2011;
OI Stach, Eric/0000-0002-3366-2153; Browning, Nigel/0000-0003-0491-251X
NR 31
TC 0
Z9 0
U1 1
U2 29
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 2014
VL 50
IS 83
BP 12417
EP 12419
DI 10.1039/c4cc90211d
PG 3
WC Chemistry, Multidisciplinary
SC Chemistry
GA AQ7KB
UT WOS:000342992000001
PM 25177906
ER
PT J
AU Xu, J
Ma, CZ
Balasubramanian, M
Meng, YS
AF Xu, Jing
Ma, Chuze
Balasubramanian, Mahalingam
Meng, Ying Shirley
TI Understanding Na2Ti3O7 as an ultra-low voltage anode material for a
Na-ion battery
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID X-RAY-ABSORPTION; ELECTROCHEMICAL NA; SODIUM INSERTION; ENERGY-STORAGE;
HIGH-CAPACITY; LI; INTERCALATION; LITHIUM; ELECTRODES; SPECTROSCOPY
AB An in-depth understanding of Na2Ti3O7 as a Na-ion battery anode is reported. The battery performance is enhanced by carbon coating, due to increased electronic conductivity and reduced solid electrolyte interphase formation. Ti4+ reduction upon discharge is demonstrated using in situ XAS. The self-relaxation behaviour of the fully intercalated phase is revealed.
C1 [Xu, Jing; Ma, Chuze; Meng, Ying Shirley] Univ Calif San Diego, Dept NanoEngn, La Jolla, CA 92093 USA.
[Balasubramanian, Mahalingam] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA.
RP Meng, YS (reprint author), Univ Calif San Diego, Dept NanoEngn, 9500 Gilman Dr, La Jolla, CA 92093 USA.
EM shirleymeng@ucsd.edu
FU National Science Foundation under CAREER Award [1057170]; USDOE
[DE-AC02-06CH11357]
FX Jing Xu and Chuze Ma contributed equally to this work. The authors are
grateful for the financial support from the National Science Foundation
under CAREER Award Number 1057170. The XAS work was performed at 20-BM-B
at Argonne's Advanced Photon Source (APS); the APS is supported by the
USDOE under contract No. DE-AC02-06CH11357. The authors appreciate the
fruitful discussion and assistance from Dr Dae Hoe Lee and Mr James
Somerville at the University of California San Diego.
NR 33
TC 29
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U1 14
U2 106
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 2014
VL 50
IS 83
BP 12564
EP 12567
DI 10.1039/c4cc03973d
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA AQ7KB
UT WOS:000342992000036
PM 25198509
ER
PT J
AU Yang, XF
Xu, W
Li, M
Koel, BE
Chen, JG
AF Yang, X. F.
Xu, W.
Li, M.
Koel, B. E.
Chen, J. G.
TI A new class of electrocatalysts of supporting Pt on an Engel-Brewer
alloy substrate: a demonstration for oxidation of ethylene glycol
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID PLATINUM-MONOLAYER ELECTROCATALYSTS; FUEL-CELLS; OXYGEN REDUCTION;
ALKALINE-MEDIUM; ELECTROOXIDATION; NANOPARTICLES; ELECTRODES; SURFACES;
ANODES; MEDIA
AB A novel electrocatalytic surface consisting of a Pt monolayer (ML) on an Hf-Ir alloy substrate demonstrated significantly higher activity (six times) and higher selectivity to CO2 formation than bulk Pt in oxidizing ethylene glycol. This enhanced performance could be associated with the high reducibility of Hf oxide and altered electronic property of the Pt ML.
C1 [Yang, X. F.; Xu, W.; Li, M.; Chen, J. G.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
[Koel, B. E.] Princeton Univ, Dept Chem & Biol Engn, Princeton, NJ 08544 USA.
[Chen, J. G.] Columbia Univ, Dept Chem Engn, New York, NY 10027 USA.
RP Koel, BE (reprint author), Princeton Univ, Dept Chem & Biol Engn, Princeton, NJ 08544 USA.
EM bkoel@princeton.edu; jgchen@columbia.edu
FU National Science Foundation [CHE-1129417]; U.S. DOE/BES
[DE-AC02-98CH10886]; LDRD [13-038]
FX We acknowledge support of this work from the National Science Foundation
(Grant No. CHE-1129417) and Brookhaven National Laboratory, supported by
the U.S. DOE/BES, under Contract No. DE-AC02-98CH10886, LDRD Project no.
13-038. We thank Dr Radoslav Adzic for his help on IRRAS and his
comments on this work.
NR 24
TC 0
Z9 0
U1 2
U2 16
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 2014
VL 50
IS 85
BP 12981
EP 12984
DI 10.1039/c4cc04006f
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA AQ4HY
UT WOS:000342756100045
PM 25219415
ER
PT J
AU Stanley, HB
Banerjee, D
van Breemen, L
Ciston, J
Liebscher, CH
Martis, V
Merino, DH
Longo, A
Pattison, P
Peters, GWM
Portale, G
Sen, S
Bras, W
AF Stanley, Halina B.
Banerjee, Dipanjan
van Breemen, Lambert
Ciston, Jim
Liebscher, Christian H.
Martis, Vladimir
Merino, Daniel Hermida
Longo, Alessandro
Pattison, Philip
Peters, Gerrit W. M.
Portale, Giuseppe
Sen, Sabyasachi
Bras, Wim
TI X-ray irradiation induced reduction and nanoclustering of lead in
borosilicate glass
SO CRYSTENGCOMM
LA English
DT Article
ID LIME SILICATE GLASS; RADIATION-DAMAGE; OPTICAL-PROPERTIES;
MACROMOLECULAR CRYSTALLOGRAPHY; CRYSTAL NUCLEATION; CORDIERITE GLASS;
QUANTUM DOTS; NANOPARTICLES; SPECTROSCOPY; SCATTERING
AB We have studied the formation of nanoparticles in lead sulfide (PbS)-doped borosilicate glass subjected to a two-step nucleation and growth heat treatment using in situ small-angle X-ray scattering (SAXS). The microstructure produced was subsequently characterized using X-ray powder diffraction (XRD) and transmission electron microscopy (TEM). While PbS nanocrystals of ca. 2 nm diameter are formed throughout the sample during the heat treatment, larger monodisperse Pb nanocrystals (diameter ca. 50 nm) are formed due to exposure to the X-ray beam, yielding space-selective nanoparticle growth. Time-resolved SAXS spectra are in the early stages consistent with diffusion-limited growth of the Pb particles. We attribute the X-ray-induced formation of nanocrystalline Pb to X-ray photoreduction of the Pb2+ atoms.
C1 [Stanley, Halina B.; Banerjee, Dipanjan; Martis, Vladimir; Merino, Daniel Hermida; Longo, Alessandro; Portale, Giuseppe; Bras, Wim] DUBBLE ESRF, Netherlands Org Sci Res NWO, F-38000 Grenoble, France.
[Ciston, Jim; Liebscher, Christian H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Elect Microscopy, Berkeley, CA 94720 USA.
[Pattison, Philip] SNBL ESRF, F-38000 Grenoble, France.
[Sen, Sabyasachi] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA.
[van Breemen, Lambert; Peters, Gerrit W. M.] Eindhoven Univ Technol, Dept Mech Engn, Mat Technol Grp, NL-5600 MB Eindhoven, Netherlands.
RP Stanley, HB (reprint author), DUBBLE ESRF, Netherlands Org Sci Res NWO, 6 Rue Jules Horowitz, F-38000 Grenoble, France.
EM wim.bras@esrf.eu
RI van Breemen, Lambert/B-1733-2015; Foundry, Molecular/G-9968-2014;
OI van Breemen, Lambert/0000-0002-0610-1908; Stanley,
Halina/0000-0001-6043-4669; Banerjee, Dipanjan/0000-0002-1933-8066
FU Netherlands Organisation for Scientific Research (NWO); Swiss-Norwegian;
ESRF; Office of Science, Office of Basic Energy Sciences of the U.S.
Department of Energy [DE-AC0205CH11231]
FX The Netherlands Organisation for Scientific Research (NWO) and the
Swiss-Norwegian beamlines are gratefully acknowledged for allowing
access to their facilities at the ESRF. We thank Irina Snigireva, ESRF,
for the scanning electron microscopy measurements. Eric Schaible is
thanked for help with the experiments at the Advanced Light Source.
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-AC0205CH11231. Transmission
electron microscopy experiments were performed at NCEM, 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.
Other colleagues at the ESRF, particularly Michael Wullf and Mark
Newton, are thanked for their helpful discussion.
NR 57
TC 7
Z9 7
U1 5
U2 24
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1466-8033
J9 CRYSTENGCOMM
JI Crystengcomm
PY 2014
VL 16
IS 39
BP 9331
EP 9339
DI 10.1039/c4ce00937a
PG 9
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA AQ7XW
UT WOS:000343034800023
ER
PT J
AU Ryan, KM
Singh, S
Liu, P
Singh, A
AF Ryan, Kevin M.
Singh, Shalini
Liu, Pai
Singh, Ajay
TI Assembly of binary, ternary and quaternary compound semiconductor
nanorods: From local to device scale ordering influenced by surface
charge
SO CRYSTENGCOMM
LA English
DT Article
ID COMPOSITIONALLY TUNABLE PHOTOLUMINESCENCE; COLLOIDAL SYNTHESIS;
ELECTROPHORETIC DEPOSITION; INORGANIC NANOCRYSTALS; GOLD NANORODS;
QUANTUM DOTS; SHAPE; SUPERLATTICES; CDSE; SIZE
AB In this article we outline the assembly of binary, ternary and quaternary nanorods using three separate protocols. The rods are the important photoabsorbers CdS, CdSexS1-x, CuInxGa1-xS, and Cu2ZnSnS4. In the droplet based assembly, we form either 1D rail-tracks or 2D discs of aligned rods depending on the net charge. In the vial based approach, we demonstrate crystallisation of rods into perfectly faceted hexagons. Finally we use electrophoretic deposition to assemble the charged rods directly at the substrate interface to obtain thin-films consisting of 50 or more nanorod layers obtained with complete orientational order.
C1 [Ryan, Kevin M.; Singh, Shalini; Liu, Pai] Univ Limerick, Mat & Surface Sci Inst, Limerick, Ireland.
[Singh, Ajay] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
RP Ryan, KM (reprint author), Univ Limerick, Mat & Surface Sci Inst, Limerick, Ireland.
EM Kevin.M.Ryan@ul.ie
RI Ryan, kevin/D-8047-2011; Singh, Ajay/I-5538-2012; Foundry,
Molecular/G-9968-2014; Singh, Shalini/L-2942-2016
OI Ryan, kevin/0000-0003-3670-8505; Singh, Ajay/0000-0002-5168-7522; Singh,
Shalini/0000-0001-8607-8383
FU Science Foundation Ireland (SFI) under the Principal Investigator
Program [11PI-1148]; Irish Government's Programme for Research in Third
Level Institutions Cycle 5, National Development Plan; European Regional
Development Fund
FX This work was supported principally by Science Foundation Ireland (SFI)
under the Principal Investigator Program under contract no. 11PI-1148.
This work was also conducted under the framework of the Irish
Government's Programme for Research in Third Level Institutions Cycle 5,
National Development Plan 2007-2013 with the assistance of the European
Regional Development Fund.
NR 51
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U1 2
U2 20
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1466-8033
J9 CRYSTENGCOMM
JI Crystengcomm
PY 2014
VL 16
IS 40
BP 9446
EP 9454
DI 10.1039/c4ce00679h
PG 9
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA AQ7XZ
UT WOS:000343035200010
ER
PT J
AU Fullmer, LB
Molina, PI
Antonio, MR
Nyman, M
AF Fullmer, Lauren B.
Molina, Pedro I.
Antonio, Mark R.
Nyman, May
TI Contrasting ion-association behaviour of Ta and Nb polyoxometalates
SO DALTON TRANSACTIONS
LA English
DT Article
ID LINDQVIST ION; SOLID-STATE; TANTALATE PHOTOCATALYSTS; INORGANIC
MATERIALS; EVOLUTION ACTIVITY; AQUEOUS-SOLUTIONS; BUILDING-BLOCKS;
ORGANIC HYBRIDS; WATER; POLYOXONIOBATE
AB Small-angle X-ray scattering (SAXS) studies of aqueous [Ta6O19](8-) compared to prior studies of aqueous [Nb6O19](8-) reveals key differences in behaviour, which is likely at the root of the difficultly in developing polyoxotantalate chemistry. Specifically, where contact ion-pairing dominates between [Nb6O19](8-) and its counterions, solvent-separated ion-pairing between [Ta6O19](8-) and its counterions has been unveiled in the current study.
C1 [Fullmer, Lauren B.; Molina, Pedro I.; Nyman, May] Oregon State Univ, Dept Chem, Corvallis, OR 97331 USA.
[Antonio, Mark R.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
RP Nyman, M (reprint author), Oregon State Univ, Dept Chem, Gilbert Hall 153, Corvallis, OR 97331 USA.
EM may.nyman@oregonstate.edu
RI Molina, Pedro/E-1019-2014;
OI Molina, Pedro/0000-0002-4491-3739; Antonio, Mark/0000-0002-1208-4534
FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Materials Sciences and Engineering [DE-SC0010802TDD]; U.S. DOE
[DE-AC02-06CH11357]
FX The work at Oregon State University was supported by the U.S. Department
of Energy, Office of Basic Energy Sciences, Division of Materials
Sciences and Engineering under Award # DE-SC0010802TDD. The work at
Argonne National Laboratory-including the use of the Advanced Photon
Source, an Office of Science User Facility operated for the U.S.
Department of Energy (DOE) Office of Science by Argonne National
Laboratory-was supported by the U.S. DOE under Contract No.
DE-AC02-06CH11357. The authors thank the staff of APS beamline 12-ID-B,C
(Soenke Seifert) for assistance.
NR 40
TC 21
Z9 21
U1 2
U2 35
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 2014
VL 43
IS 41
BP 15295
EP 15299
DI 10.1039/c4dt02394c
PG 5
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA AQ4IJ
UT WOS:000342757600006
PM 25189708
ER
PT J
AU Rottman-Yang, JS
Biswas, J
Abe, OO
Campbell, KL
Gonzalo-Juan, I
Pham, VH
Gebre, T
Dickerson, JH
AF Rottman-Yang, Jaron S.
Biswas, Jyotishka
Abe, Owen O.
Campbell, Kasey L.
Gonzalo-Juan, Isabel
Viet Hung Pham
Gebre, Tesfaye
Dickerson, James H.
TI Post-Electrophoretic Deposition Electrochemical Separation (PEPDECS):
Optimization of the Fabrication of Freestanding Carbon Nanotube Films
SO ECS JOURNAL OF SOLID STATE SCIENCE AND TECHNOLOGY
LA English
DT Article
ID CDSE NANOCRYSTAL FILMS; AC ELECTRIC-FIELDS; EMITTERS; EPD
AB Scalable fabrication of freestanding carbon nanotube films (buckypapers) is of notable interest in nanotechnology due to emerging, real world applications for these lightweight and flexible materials. Post-electrophoretic deposition electrochemical separation (PEPDECS), a recently developed method for the scalable production of buckypapers, involves the electrophoretic deposition (EPD) of charged carbon nanotubes onto a flat substrate in a parallel-plate capacitor configuration, followed by a reversal of the direction of the electric field to detach the film. This study explored the characteristics of the deposition and liberation of the delaminated film, such as the applied voltage and the electrode size, in search of the optimum conditions for high quality buckypaper fabrication. Bubble formation on the film, due to the electrolysis of the suspension, increased as a function of the current density. The time required to delaminate a film completely from its underlying substrate was higher at higher initial current densities. Additionally, only when the applied EPD voltage was >= 2.8 V was the integrity of the buckypaper sufficient for them to be handled. The mechanical properties of the resulting films were examined to quantify their integrity. These experiments demonstrate the dependency of successful film fabrication on variable conditions during the initial EPD and provide a means to control the properties of the final films. (C) 2014 The Electrochemical Society. All rights reserved.
C1 [Rottman-Yang, Jaron S.; Biswas, Jyotishka] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA.
[Abe, Owen O.] Univ Maryland Baltimore Cty, Dept Mech Engn, Baltimore, MD 21250 USA.
[Campbell, Kasey L.] Lincoln Univ, Dept Phys, Lincoln, PA 19352 USA.
[Gonzalo-Juan, Isabel] Tech Univ Darmstadt, Dept Mat & Geosci, D-64287 Darmstadt, Germany.
[Viet Hung Pham; Dickerson, James H.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA.
[Gebre, Tesfaye] Florida A&M Univ, Dept Phys, Tallahassee, FL 32307 USA.
[Dickerson, James H.] Brown Univ, Dept Phys, Providence, RI 02912 USA.
RP Rottman-Yang, JS (reprint author), Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA.
EM jdickerson@bnl.gov
FU United States Office of Naval Research [N000140910523]; National Science
Foundation CAREER Award [DMR-1054161]; School for Science and Math at
Vanderbilt; Center for Science Outreach; U.S. Department of Energy,
Office of Basic Energy Sciences [DE-AC02-98CH10886]
FX This research was partially supported by the United States Office of
Naval Research, Award N000140910523, and the National Science Foundation
CAREER Award DMR-1054161. J. S. Rottman-Yang and J. Biswas were
sponsored by the School for Science and Math at Vanderbilt and the
Center for Science Outreach. Special thanks to Chris Vanags for his
advice on this research. The research was 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-AC02-98CH10886. Jaron S.
Rottman-Yang, Jyotishka Biswas, Owen O. Abe, and Kasey L. Campbell
contributed equally to the manuscript.
NR 24
TC 0
Z9 0
U1 2
U2 20
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 2014
VL 3
IS 11
BP M71
EP M75
DI 10.1149/2.0121411jss
PG 5
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA AQ4NW
UT WOS:000342776200001
ER
PT S
AU Cole, K
Stevens-Adams, S
McNamara, L
Ganter, J
AF Cole, Kerstan
Stevens-Adams, Susan
McNamara, Laura
Ganter, John
BE Harris, D
TI Applying Cognitive Work Analysis to a Synthetic Aperture Radar System
SO ENGINEERING PSYCHOLOGY AND COGNITIVE ERGONOMICS, EPCE 2014
SE Lecture Notes in Computer Science
LA English
DT Proceedings Paper
CT 11th International Conference on Engineering Psychology and Cognitive
Ergonomics (EPCE)
CY JUN 22-27, 2014
CL Heraklion, GREECE
DE Cognitive Work Analysis; Work Domain Analysis; Human Factors; Synthetic
Aperture Radar; Imagery; Systems Analysis
ID DESIGN
AB The purpose of the current study was to analyze the work of imagery analysts associated with Sagebrush, a Synthetic Aperture Radar (SAR) imaging system, using an adapted version of cognitive work analysis (CWA). This was achieved by conducting a work domain analysis (WDA) for the system under consideration. Another purpose of this study was to describe how we adapted the WDA framework to include a sequential component and a means to explicitly represent relationships between components. Lastly, we present a simplified work domain representation that we have found effective in communicating the importance of analysts' adaptive strategies to inform the research strategies of computational science researchers who want to develop useful algorithms, but who have little or no familiarity with sensor data analysis work.
C1 [Cole, Kerstan; Stevens-Adams, Susan; McNamara, Laura; Ganter, John] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Cole, K (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM kscole@sandia.gov; smsteve@sandia.gov; lamcnam@sandia.gov;
jganter@sandia.gov
NR 10
TC 1
Z9 1
U1 1
U2 2
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0302-9743
BN 978-3-319-07515-0; 978-3-319-07514-3
J9 LECT NOTES COMPUT SC
PY 2014
VL 8532
BP 313
EP 324
PG 12
WC Computer Science, Artificial Intelligence; Computer Science, Theory &
Methods
SC Computer Science
GA BB3LV
UT WOS:000342845800032
ER
PT S
AU Stevens-Adams, S
Cole, K
McNamara, L
AF Stevens-Adams, Susan
Cole, Kerstan
McNamara, Laura
BE Harris, D
TI Hierarchical Task Analysis of a Synthetic Aperture Radar Analysis
Process
SO ENGINEERING PSYCHOLOGY AND COGNITIVE ERGONOMICS, EPCE 2014
SE Lecture Notes in Computer Science
LA English
DT Proceedings Paper
CT 11th International Conference on Engineering Psychology and Cognitive
Ergonomics (EPCE)
CY JUN 22-27, 2014
CL Heraklion, GREECE
DE Hierarchical Task Analysis; Synthetic Aperture Radar; timeline analysis;
workload assessment
AB Imagery analysts are given the difficult task of determining, post-hoc, if particular events of importance had occurred, employing Synthetic Aperture Radar (SAR) images, written reports and PowerPoint presentations to make their decision. We were asked to evaluate the current system analysis process and make recommendations for a future temporal geospatial analysis prototype that is envisioned to allow analysts to quickly search for temporal and spatial relationships between image-derived features. As such, we conducted a Hierarchical task analysis (HTA; [3], [6]) to understand the analysts' tasks and subtasks. We also implemented a timeline analysis and workload assessment [4] to better understand which tasks were the most time-consuming and perceived as the most effortful. Our results gave the team clear recommendations and requirements for a prototype.
C1 [Stevens-Adams, Susan; Cole, Kerstan; McNamara, Laura] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Stevens-Adams, S (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM smsteve@sandia.gov; kscole@sandia.gov; lamcnam@sandia.gov
NR 6
TC 0
Z9 0
U1 0
U2 0
PU SPRINGER-VERLAG BERLIN
PI BERLIN
PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY
SN 0302-9743
BN 978-3-319-07515-0; 978-3-319-07514-3
J9 LECT NOTES COMPUT SC
PY 2014
VL 8532
BP 545
EP 554
PG 10
WC Computer Science, Artificial Intelligence; Computer Science, Theory &
Methods
SC Computer Science
GA BB3LV
UT WOS:000342845800054
ER
PT S
AU Churchfield, MJ
Lee, S
Moriarty, PJ
AF Churchfield, Matthew J.
Lee, Sang
Moriarty, Patrick J.
BE Medjroubi, W
Stoevesand, B
Peralta, C
TI Adding complex terrain and stable atmospheric condition capability to
the OpenFOAM-based flow solver of the simulator for on/offshore wind
farm applications (SOWFA)
SO FIRST SYMPOSIUM ON OPENFOAM (R) IN WIND ENERGY
SE ITM Web of Conferences
LA English
DT Proceedings Paper
CT 1st Symposium on OpenFOAM in Wind Energy
CY MAR 20-21, 2013
CL Oldenburg, GERMANY
ID LARGE-EDDY-SIMULATION; SUBGRID-SCALE MODEL; BOUNDARY-LAYER TURBULENCE
AB The National Renewable Energy Laboratory's Simulator for On/Offshore Wind Farm Applications contains an OpenFOAM-based flow solver for performing large-eddy simulation of flow through wind plants. The solver computes the atmospheric boundary layer flow and models turbines with actuator lines. Until recently, the solver was limited to flows over flat terrain and could only use the standard Smagorinsky subgrid-scale model. In this work, we present our improvements to the flow solver that enable us to 1) use any OpenFOAM-standard subgrid-scale model and 2) simulate flow over complex terrain. We used the flow solver to compute a stably stratified atmospheric boundary layer using both the standard and the Lagrangian-averaged scale-independent dynamic Smagorinsky models. Surprisingly, the results using the standard Smagorinsky model compare well to other researchers' results of the same case, although it is often said that the standard Smagorinsky model is too dissipative for accurate stable stratification calculations. The scale-independent dynamic subgrid-scale model produced poor results, probably due to the spikes in model constant with values as high as 4.6. We applied a simple bounding of the model constant to remove these spikes, which caused the model to produce results much more in line with other researchers' results. We also computed flow over a simple hilly terrain and performed some basic qualitative analysis to verify the proper operation of the terrain-local surface stress model we employed.
C1 [Churchfield, Matthew J.; Lee, Sang; Moriarty, Patrick J.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Churchfield, MJ (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM matt.churchfield@nrel.gov
NR 29
TC 3
Z9 3
U1 3
U2 7
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2271-2097
J9 ITM WEB CONF
PY 2014
VL 2
AR 02001
DI 10.1051/itmconf/20140202001
PG 16
WC Energy & Fuels
SC Energy & Fuels
GA BB2ZA
UT WOS:000342573400005
ER
PT J
AU Brissos, RF
Torrents, E
Mello, FMD
Pires, WC
Silveira-Lacerda, EDP
Caballero, AB
Caubet, A
Massera, C
Roubeau, O
Teate, SJ
Gamez, P
AF Brissos, Rosa F.
Torrents, Ester
dos Santos Mello, Francyelli Mariana
Pires, Wanessa Carvalho
Silveira-Lacerda, Elisangela de Paula
Caballero, Ana B.
Caubet, Amparo
Massera, Chiara
Roubeau, Olivier
Teate, Simon J.
Gamez, Patrick
TI Highly cytotoxic DNA-interacting copper(II) coordination compounds
SO METALLOMICS
LA English
DT Article
ID CALF THYMUS DNA; OXIDATIVE STRESS; METAL-COMPLEXES; CLEAVAGE PROPERTIES;
ANTITUMOR-ACTIVITY; CRYSTAL-STRUCTURES; ANTICANCER DRUGS; FREE-RADICALS;
HUMAN-DISEASE; BINDING MODE
AB Four new Schiff-base ligands have been designed and prepared by condensation reaction between hydrazine derivatives (i.e. 2-hydrazinopyridine or 2-hydrazinoquinoline) and mono- or dialdehyde (3-tert-butyl-2-hydroxybenzaldehyde and 5-tert-butyl-2-hydroxyisophthalaldehyde, respectively). Six copper(II) coordination compounds of various nuclearities have been obtained from these ligands, which are formulated as [Cu(L1)Cl](CH3OH) (1), [Cu(L2)NO3] (2), [Cu-2(L3)(ClO4)(2)(CH3O)(CH3OH)](CH3OH) (3), [Cu-2(L4)(ClO4)(OH)(CH3OH)](ClO4) (4), [Cu-8(L3)(4)(NO3)(4)(OH)(5)](NO3)(3)(CH3OH)(5)(H2O)(8) (5) and [Cu-3(HL2')(4)Cl-6](CH3OH)(6) (6), as revealed by single-crystal X-ray studies. Their DNA-interacting abilities have been investigated using different characterization techniques, which suggest that the metal complexes act as efficient DNA binders. Moreover, cytotoxicity assays with several cancer cell lines show that some of them are very active, as evidenced by the sub-micromolar IC50 values achieved in some cases.
C1 [Brissos, Rosa F.; Torrents, Ester; Caballero, Ana B.; Caubet, Amparo; Gamez, Patrick] Univ Barcelona, Dept Quim Inorgan, Barcelona 08028, Spain.
[dos Santos Mello, Francyelli Mariana; Pires, Wanessa Carvalho; Silveira-Lacerda, Elisangela de Paula] Univ Fed Goias, Inst Ciencias Biol, Lab Genet Mol & Citogenet, Goiania, Go, Brazil.
[Massera, Chiara] Univ Parma, Dipartimento Chim, I-43124 Parma, Italy.
[Roubeau, Olivier] CSIC, ICMA, Zaragoza 50009, Spain.
[Roubeau, Olivier] Univ Zaragoza, Zaragoza 50009, Spain.
[Teate, Simon J.] Lawrence Berkeley Natl Lab, ALS, Berkeley, CA 94720 USA.
[Gamez, Patrick] ICREA, Barcelona 08010, Spain.
RP Silveira-Lacerda, EDP (reprint author), Univ Fed Goias, Inst Ciencias Biol, Lab Genet Mol & Citogenet, Goiania, Go, Brazil.
EM silveiralacerda@gmail.com; patrick.gamez@qi.ub.es
RI Gamez, Patrick/B-3610-2012; CABALLERO, ANA B./I-1820-2014; Caubet,
Amparo/K-9053-2014; Roubeau, Olivier/A-6839-2010;
OI Gamez, Patrick/0000-0003-2602-9525; CABALLERO, ANA
B./0000-0001-9294-9085; Massera, Chiara/0000-0003-0230-1707; Caubet,
Amparo/0000-0002-3256-6231; Roubeau, Olivier/0000-0003-2095-5843;
Faustino Brissos, Rosa/0000-0002-3356-4588
FU ICREA (Institucio Catalana de Recerca i Estudis Avancats); Ministerio de
Economia y Competitividad (MINECO) of Spain [CTQ2011-27929-C02-01]; COST
Action [CM1105]; Office of Science, Office of Basic Energy Sciences of
the U.S. Department of Energy [DE-AC02-05CH11231]; Ministerio de
Economia y Competitividad of Spain [MAT2011-24284]
FX PG acknowledges ICREA (Institucio Catalana de Recerca i Estudis
Avancats) and the Ministerio de Economia y Competitividad (MINECO) of
Spain (Project CTQ2011-27929-C02-01). The support of COST Action CM1105
is kindly acknowledged. 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. OR
acknowledges the Ministerio de Economia y Competitividad of Spain
(Project MAT2011-24284).
NR 85
TC 8
Z9 8
U1 1
U2 14
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1756-5901
EI 1756-591X
J9 METALLOMICS
JI Metallomics
PY 2014
VL 6
IS 10
BP 1853
EP 1868
DI 10.1039/c4mt00152d
PG 16
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA AQ6GR
UT WOS:000342908900009
PM 25096758
ER
PT J
AU Ciccotosto, GD
James, SA
Altissimo, M
Paterson, D
Vogt, S
Lai, B
de Jonge, MD
Howard, DL
Bush, AI
Cappai, R
AF Ciccotosto, Giuseppe D.
James, Simon A.
Altissimo, Matteo
Paterson, David
Vogt, Stefan
Lai, Barry
de Jonge, Martin D.
Howard, Daryl L.
Bush, Ashley I.
Cappai, Roberto
TI Quantitation and localization of intracellular redox active metals by
X-ray fluorescence microscopy in cortical neurons derived from APP and
APLP2 knockout tissue
SO METALLOMICS
LA English
DT Article
ID AMYLOID PRECURSOR PROTEIN; ALZHEIMERS-DISEASE; SUPEROXIDE-DISMUTASE;
CELLULAR COPPER; BINDING DOMAIN; BETA; MICE; BRAIN; HOMEOSTASIS;
REDUCTION
AB The amyloid precursor protein (APP) gene family includes APP and the amyloid precursor-like proteins, APLP1 and APLP2. These proteins contain metal binding sites for copper, zinc and iron and are known to have physiological roles in modulating the metal homeostasis in brain cells. Here we report the application of X-ray fluorescence microscopy (XFM) to investigate the subcellular distribution patterns of the metal ions Cu, Zn, Fe, and Ca in individual neurons derived from APP and APLP2 knockout mice brains to further define their role in metal homeostasis. These studies add to the growing body of data that the APP family of proteins are metalloproteins that have shared as well as distinct effects on metals. As we continue to delineate the cellular effects of the APP family of proteins it is important to consider how metals are involved in their actions.
C1 [Ciccotosto, Giuseppe D.; Cappai, Roberto] Univ Melbourne, Dept Pathol, Melbourne, Vic 3010, Australia.
[Ciccotosto, Giuseppe D.; Cappai, Roberto] Univ Melbourne, Mol Sci & Biotechnol Inst Bio21, Melbourne, Vic 3010, Australia.
[James, Simon A.; Paterson, David; de Jonge, Martin D.; Howard, Daryl L.] Australian Synchrotron, Clayton, Vic 3168, Australia.
[James, Simon A.] CSIRO, Mat Sci & Engn, Clayton, Vic 3189, Australia.
[Altissimo, Matteo] Elettra Sincrotrone Trieste SCpA SS 14, I-34149 Trieste, Italy.
[Vogt, Stefan; Lai, Barry] Argonne Natl Lab, Xray Sci Div Adv Photon Source, Argonne, IL 60439 USA.
[Bush, Ashley I.] Univ Melbourne, Florey Inst Neurosci & Mental Hlth, Melbourne, Vic 3010, Australia.
RP Ciccotosto, GD (reprint author), Univ Melbourne, Dept Pathol, Melbourne, Vic 3010, Australia.
EM j.ciccotosto@unimelb.edu.au
RI de Jonge, Martin/C-3400-2011; Bush, Ashley/A-1186-2007; James,
Simon/J-5320-2012;
OI Bush, Ashley/0000-0001-8259-9069; James, Simon/0000-0001-9369-3288;
Cappai, Roberto/0000-0002-9505-8496
FU Australian Research Council; Australian National Health and Medical
Research Council; Operational Infrastructure Support Victorian State
Government; Argonne National Laboratory [DE-AC02-06CH11357]; Australian
Synchrotron Research Fund [AS_IA083/APS10858]; International Synchrotron
Access Program; Australian Government
FX This work was supported by funds from the Australian Research Council,
the Australian National Health and Medical Research Council and
Operational Infrastructure Support Victorian State Government. 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. Access was made possible through the financial
assistance of the Australian Synchrotron Research Fund (proposal
AS_IA083/APS10858). We acknowledge travel funding provided by the
International Synchrotron Access Program managed by the Australian
Synchrotron and funded by the Australian Government. Part of this
research was undertaken on the XFM beamline at the Australian
Synchrotron, Victoria, Australia.
NR 41
TC 5
Z9 5
U1 2
U2 15
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1756-5901
EI 1756-591X
J9 METALLOMICS
JI Metallomics
PY 2014
VL 6
IS 10
BP 1894
EP 1904
DI 10.1039/c4mt00176a
PG 11
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA AQ6GR
UT WOS:000342908900013
PM 25098278
ER
PT J
AU Oleshko, VP
Lam, T
Ruzmetov, D
Haney, P
Lezec, HJ
Davydov, AV
Krylyuk, S
Cumings, J
Talin, AA
AF Oleshko, Vladimir P.
Lam, Thomas
Ruzmetov, Dmitry
Haney, Paul
Lezec, Henri J.
Davydov, Albert V.
Krylyuk, Sergiy
Cumings, John
Talin, A. Alec
TI Miniature all-solid-state heterostructure nanowire Li-ion batteries as a
tool for engineering and structural diagnostics of nanoscale
electrochemical processes
SO NANOSCALE
LA English
DT Article
ID ENERGY-LOSS-SPECTROSCOPY; THIN-FILM LITHIUM; TRANSMISSION
ELECTRON-MICROSCOPY; IN-SITU; SILICON NANOWIRES; S BATTERIES; LICOO2;
TEM; FABRICATION; LITHIATION
AB Complex interfacial phenomena and phase transformations that govern the operation of Li-ion batteries require detailed nanoscale 3D structural and compositional characterization that can be directly related to their capacity and electrical transport properties. For this purpose, we have designed model miniature all solid-state radial heterostructure Li-ion batteries composed of LiCoO2 cathode, LiPON electrolyte and amorphous Si anode shells, which were deposited around metallized high-aspect-ratio Si nanowires as a scaffolding core. Such diagnostic batteries, the smallest, complete secondary Li-ion batteries realized to date, were specifically designed for in situ electrical testing in a field-emission scanning electron microscope and/or transmission electron microscope. The results of electrochemical testing were described in detail in a previous publication (Nano Lett., 2012, 12, 505-511). The model Li-ion batteries allow analysis of the correlations between electrochemical properties and their structural evolution during cycling in various imaging, diffraction and spectroscopic modes down to the atomic level. Employing multimode analytical scanning/transmission electron microscopy imaging coupled with correlative multivariate statistical analysis and tomography, we have analyzed and quantified the 3D morphological and structural arrangement of the batteries, including textured platelet-like LiCoO2 nanocrystallites, buried electrode-electrolyte interfaces and hidden internal defects to clarify effects of scaling on a battery's electrochemical performance. Characterization of the nanoscale interfacial processes using model heterostructure nanowire-based Li-ion batteries provides useful guidelines for engineering of prospective nano-sized building blocks in future electrochemical energy storage systems.
C1 [Oleshko, Vladimir P.; Davydov, Albert V.; Krylyuk, Sergiy] NIST, Mat Measurement Lab, Gaithersburg, MD 20899 USA.
[Lam, Thomas; Ruzmetov, Dmitry; Haney, Paul; Lezec, Henri J.; Talin, A. Alec] NIST, Ctr Nanoscale Sci & Technol, Gaithersburg, MD 20899 USA.
[Ruzmetov, Dmitry; Krylyuk, Sergiy] Univ Maryland, Inst Res Elect & Appl Phys, College Pk, MD 20742 USA.
[Oleshko, Vladimir P.; Cumings, John] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA.
[Talin, A. Alec] Sandia Natl Labs, Livermore, CA 94551 USA.
RP Oleshko, VP (reprint author), NIST, Mat Measurement Lab, Gaithersburg, MD 20899 USA.
EM vladimir.oleshko@nist.gov
RI Davydov, Albert/F-7773-2010; Cumings, John/A-3595-2012
OI Davydov, Albert/0000-0003-4512-2311;
FU National Institute of Standards and Technology [MML12-1053-N00,
70NANB12H164]; University of Maryland; National Institute of Standards
and Technology Center for Nanoscale Science and Technology through
University of Maryland [70NANB10H193]; Science of Precision
Multifunctional Nanostructures for Electrical Energy Storage (NEES), an
Energy Frontier Research Center - U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences [DESC0001160]; U.S. DOE
National Nuclear Security Administration [DE-AC04-94AL85000]
FX The authors are thankful to J. Winterstein and A. Herzing (NIST) for
help in measurements and useful discussions and to A. Kolmakov (NIST)
for critical reading of the manuscript. This work was supported by the
National Institute of Standards and Technology under grant
MML12-1053-N00 (Award no. 70NANB12H164). D.R. acknowledges 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. and J.C. were supported (and V.O. was
partially supported) by the Science of Precision Multifunctional
Nanostructures for Electrical Energy Storage (NEES), an Energy Frontier
Research Center funded by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences under Award Number DESC0001160.
Sandia is a multi-program laboratory operated by Sandia Corporation, a
Lockheed Martin Company, for the U.S. DOE National Nuclear Security
Administration under Contract DE-AC04-94AL85000.
NR 61
TC 6
Z9 6
U1 10
U2 73
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 2014
VL 6
IS 20
BP 11756
EP 11768
DI 10.1039/c4nr01666a
PG 13
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA AQ7MB
UT WOS:000343000800023
PM 25157420
ER
PT J
AU Heard, CJ
Heiles, S
Vajda, S
Johnston, RL
AF Heard, Christopher J.
Heiles, Sven
Vajda, Stefan
Johnston, Roy L.
TI PdnAg(4-n) and PdnPt(4-n) clusters on MgO (100): a density functional
surface genetic algorithm investigation
SO NANOSCALE
LA English
DT Article
ID ION MOBILITY MEASUREMENTS; TRANSITION-METAL ATOMS; MGO(001) SURFACE;
PALLADIUM CLUSTERS; PLATINUM CLUSTERS; CO OXIDATION; PD ATOMS;
PHOTOELECTRON-SPECTROSCOPY; CATALYTIC-OXIDATION; MGO(100) SURFACE
AB The novel surface mode of the Birmingham Cluster Genetic Algorithm (S-BCGA) is employed for the global optimisation of noble metal tetramers upon an MgO (100) substrate at the GGA-DFT level of theory. The effect of element identity and alloying in surface-bound neutral subnanometre clusters is determined by energetic comparison between all compositions of PdnAg(4-n) and PdnPt(4-n). While the binding strengths to the surface increase in the order Pt > Pd > Ag, the excess energy profiles suggest a preference for mixed clusters for both cases. The binding of CO is also modelled, showing that the adsorption site can be predicted solely by electrophilicity. Comparison to CO binding on a single metal atom shows a reversal of the 5 sigma-d activation process for clusters, weakening the cluster-surface interaction on CO adsorption. Charge localisation determines homotop, CO binding and surface site preferences. The electronic behaviour, which is intermediate between molecular and metallic particles allows for tunable features in the subnanometre size range.
C1 [Heard, Christopher J.] Chalmers, Dept Appl Phys, SE-41296 Gothenburg, Sweden.
[Heiles, Sven] Univ Giessen, Inst Inorgan & Analyt Chem, D-35392 Giessen, Germany.
[Vajda, Stefan] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Vajda, Stefan] Argonne Natl Lab, Nanosci & Technol Div, Argonne, IL 60439 USA.
[Vajda, Stefan] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA.
[Vajda, Stefan] Yale Univ, Sch Engn & Appl Sci, Dept Chem & Environm Engn, New Haven, CT 06520 USA.
[Johnston, Roy L.] Univ Birmingham, Sch Chem, Birmingham B15 2TT, W Midlands, England.
RP Johnston, RL (reprint author), Univ Birmingham, Sch Chem, POB 363, Birmingham B15 2TT, W Midlands, England.
EM r.l.johnston@bham.ac.uk
RI Heiles, Sven/A-7415-2010; Heiles, Sven/N-5013-2015;
OI Johnston, Roy/0000-0003-4019-9280
FU EPSRC [EP/K000128/1]; University of Birmingham Blue-BEAR facility; U.S.
Department of Energy, Office of Science, Office of Basic Energy Sciences
[DE-AC02-06CH11357]; School of Chemistry, University of Birmingham; U.S.
Department of Energy, BES-Materials Sciences [DE-AC-02-06CH11357];
UChicago Argonne, LLC
FX The authors acknowledge the following HPC facilities: the MidPlus
Regional Centre of Excellence for Computational Science, Engineering and
Mathematics, funded under EPSRC Grant no. EP/K000128/1, the University
of Birmingham Blue-BEAR facility. Use of the Center for Nanoscale
Materials was supported by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, under Contract
DE-AC02-06CH11357. C.J.H acknowledges the School of Chemistry,
University of Birmingham and EPSRC for Ph.D funding. SV acknowledges the
support by the U.S. Department of Energy, BES-Materials Sciences, under
Contract no. DE-AC-02-06CH11357, with UChicago Argonne, LLC, the
operator of Argonne National Laboratory.
NR 92
TC 6
Z9 6
U1 3
U2 42
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 2014
VL 6
IS 20
BP 11777
EP 11788
DI 10.1039/c4nr03363a
PG 12
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA AQ7MB
UT WOS:000343000800025
PM 25158024
ER
PT S
AU Park, YS
Lee, W
Gopalsami, N
Gundeti, M
AF Park, Young Soo
Lee, Wooho
Gopalsami, Nachappa
Gundeti, Mohan
BE Popa, DO
Wijesundara, MBJ
TI Tactile MEMS-based Sensor for Delicate Microsurgery
SO NEXT-GENERATION ROBOTS AND SYSTEMS
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Next-Generation Robots and Systems
CY MAY 08, 2014
CL Baltimore, MA
SP SPIE
DE surgery robot; tactile sensor; MEMS; haptic feedback
ID MINIMALLY INVASIVE SURGERY; CAPABILITY
AB This paper presents development of a new MEMS-based tactile microsensor to replicate the delicate sense of touch in robotic surgery. Using an epoxy-based photoresist, SU-8, as substrate, the piezoresistive type sensor is flexible, robust, and easy to fabricate in mass. Sensor characteristic tests indicate adequate sensitivity and linearity, and the multiple sensor elements can match full range of surgical tissue stiffness. Such characteristic nearly match the most delicate sense of touch at the human fingertip. It is expected such a sensor is essential for delicate surgeries, such as handling delicate tissues and microsurgery.
C1 [Park, Young Soo; Gopalsami, Nachappa] Argonne Natl Lab, Nucl Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Lee, Wooho] Univ Texas Arlington, Arlington, TX 76019 USA.
Univ Chicago, Med Ctr, Chicago, IL 60637 USA.
RP Park, YS (reprint author), Argonne Natl Lab, Nucl Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
FU U.S. Department of Energy, Basic Energy Sciences, Office of Science
[DE-AC02-06CH11357]
FX This work is supported by the U.S. Department of Energy, Basic Energy
Sciences, Office of Science, under contract # DE-AC02-06CH11357.
NR 20
TC 0
Z9 0
U1 0
U2 6
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-053-2
J9 PROC SPIE
PY 2014
VL 9116
AR UNSP 911603
DI 10.1117/12.2058250
PG 11
WC Computer Science, Artificial Intelligence; Engineering, Electrical &
Electronic; Robotics; Optics
SC Computer Science; Engineering; Robotics; Optics
GA BB3RP
UT WOS:000343006300003
ER
PT J
AU LeClair, TJ
Gao, ZM
Fu, JS
Calcagno, J
Yun, JR
AF LeClair, Tim J.
Gao, Zhiming
Fu, Joshua S.
Calcagno, Jimmy
Yun, Jeongran
TI Development of a Short-Duration Drive Cycle to Represent Long-Term
Measured Drive Cycle Data Evaluation of Truck Efficiency Technologies in
Class 8 Tractor Trailers
SO TRANSPORTATION RESEARCH RECORD
LA English
DT Article
AB Quantifying the fuel savings and emissions reductions that can be achieved from truck fuel efficiency technologies for a fleet's specific usage allows the fleet to select a combination of technologies that will yield the greatest operational efficiency and profitability. An accurate characterization of usage for the fleet is critical for such an evaluation; however, short-term measured drive cycle data do not generally reflect overall usage very effectively. This paper presents a detailed analysis of vehicle usage in a commercial vehicle fleet and demonstrates the development of a short-duration synthetic drive cycle with measured drive cycle data collected over an extended period of time. The approach matched statistical measures of the vehicle speed with acceleration history and integrated measured grade data to develop a compressed drive cycle that accurately represents total usage. Drive cycle measurements obtained during a full year from six tractor trailers in normal operations in a less-than-truckload carrier were analyzed to develop a synthetic drive cycle. The vehicle mass was also estimated to account for the variation of loads that the fleet experienced. These drive cycle and mass data were analyzed with a tractive energy analysis to quantify the benefits in terms of fuel efficiency and reduced carbon dioxide emissions that can be achieved on Class 8 tractor trailers by using advanced efficiency technologies, either individually or in combination. Although differences exist between Class 8 tractor trailer fleets, this study provides valuable insight into the energy and emissions reduction potential that various technologies can bring in this important trucking application. The methodology employed for generating the synthetic drive cycle serves as a rigorous approach to develop an accurate usage characterization that can be used to effectively compress large quantities of drive cycle data.
C1 [LeClair, Tim J.; Gao, Zhiming] Oak Ridge Natl Lab, Natl Transportat Res Ctr, Knoxville, TN 37932 USA.
[Fu, Joshua S.; Calcagno, Jimmy; Yun, Jeongran] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA.
RP LeClair, TJ (reprint author), Oak Ridge Natl Lab, Natl Transportat Res Ctr, 2360 Cherahala Blvd, Knoxville, TN 37932 USA.
EM laclairtj@ornl.gov
FU NHTSA; Corporate Average Fuel Economy
FX This project was sponsored by NHTSA. The authors thank Ken Katz of
Corporate Average Fuel Economy for funding and supporting this research.
NR 13
TC 0
Z9 0
U1 1
U2 2
PU NATL ACAD SCIENCES
PI WASHINGTON
PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA
SN 0361-1981
EI 2169-4052
J9 TRANSPORT RES REC
JI Transp. Res. Record
PY 2014
IS 2428
BP 63
EP 74
DI 10.3141/2428-08
PG 12
WC Engineering, Civil; Transportation; Transportation Science & Technology
SC Engineering; Transportation
GA AQ5VR
UT WOS:000342877200008
ER
PT S
AU Burton, T
AF Burton, Thomas
BE Bravina, L
Foka, Y
Kabana, S
TI The eRHIC Project
SO 1ST INTERNATIONAL CONFERENCE ON NEW FRONTIERS IN PHYSICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 1st International Conference on New Frontiers in Physics
CY JUN 10-16, 2012
CL Kolymbari, GREECE
SP European Org Nucl Res, Res Council Norway, Univ Oslo, CERN, Orthodox Acad Crete
AB The eRHIC project plans to expand Brookhaven National Laboratory's Relativistic Heavy Ion Collider (RHIC) with a high-intensity electron beam. Building on the exciting discoveries of RHIC, CERN, HERA and others, eRHIC will break new ground in collider luminosity and will push the frontiers of knowledge in nucleon and nuclear structure and in spin physics. The varied eRHIC physics programme and the proposed machine design will be presented and discussed.
C1 Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Burton, T (reprint author), Brookhaven Natl Lab, POB 5000, Upton, NY 11973 USA.
EM tpb@bnl.gov
NR 3
TC 1
Z9 1
U1 0
U2 1
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2014
VL 70
AR 00064
DI 10.1051/epjconf/20147000064
PG 7
WC Astronomy & Astrophysics; Physics, Multidisciplinary; Physics, Particles
& Fields
SC Astronomy & Astrophysics; Physics
GA BB2UU
UT WOS:000342382300064
ER
PT S
AU Ding, HT
Francis, A
Kaczmarek, O
Karsch, F
Satz, H
Soldner, W
AF Ding, H. -T.
Francis, A.
Kaczmarek, O.
Karsch, F.
Satz, H.
Soeldner, W.
BE Bravina, L
Foka, Y
Kabana, S
TI Charmonium dissociation and heavy quark transport in hot quenched
lattice QCD
SO 1ST INTERNATIONAL CONFERENCE ON NEW FRONTIERS IN PHYSICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 1st International Conference on New Frontiers in Physics
CY JUN 10-16, 2012
CL Kolymbari, GREECE
SP European Org Nucl Res, Res Council Norway, Univ Oslo, CERN, Orthodox Acad Crete
AB We study the properties of charmonium states at finite temperature in quenched lattice QCD on large and fine isotropic lattices. We perform a detailed analysis of charmonium correlation and spectral functions both below and above T-c. Our analysis suggests that the S wave states disappear at about 1.5 Tc. The charm diffusion coefficient is estimated and found to be approximately 1/pi T at 1.5T(c) less than or similar to T less than or similar to 3T(c).
C1 [Ding, H. -T.; Karsch, F.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
[Francis, A.] Johannes Gutenberg Univ Mainz, Inst Kernphys, D-55099 Mainz, Germany.
[Kaczmarek, O.; Karsch, F.; Satz, H.] Univ Bielefeld, Fak Phys, D-D33615 Bielefeld, Germany.
[Soeldner, W.] Univ Regensburg, Inst Theoret Phys, D-D93040 Regensburg, Germany.
RP Ding, HT (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
EM htding@quark.phy.bnl.gov; francis@kph.uni-mainz.de;
okacz@physik.uni-bielefeld.de; karsch@quark.phy.bnl.gov;
satz@physik.uni-bielefeld.de; wolfgang.soeldner@physik.uni-regensburg.de
OI Ding, Heng-Tong/0000-0003-0590-081X
FU Deutsche Forschungsgemeinschaft [GRK 881]; U. S. Department of Energy
[DE-AC02-98CH10886]; New York Center for Computational Sciences (
NYCCS); New York and the BlueGene/P at the John von Neumann
Supercomputer Center (NIC) at FZ-Julich, Germany
FX This work has been supported in part by the Deutsche
Forschungsgemeinschaft under grant GRK 881 and by contract
DE-AC02-98CH10886 with the U. S. Department of Energy. Numerical
simulations have been performed on the BlueGene/ P at the New York
Center for Computational Sciences ( NYCCS) which is supported by the
State of New York and the BlueGene/ P at the John von Neumann
Supercomputer Center (NIC) at FZ- Julich, Germany.
NR 22
TC 0
Z9 0
U1 0
U2 0
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2014
VL 70
AR UNSP 00061
DI 10.1051/epjconf/20147000061
PG 9
WC Astronomy & Astrophysics; Physics, Multidisciplinary; Physics, Particles
& Fields
SC Astronomy & Astrophysics; Physics
GA BB2UU
UT WOS:000342382300061
ER
PT S
AU Adelman, J
Alderweireldt, S
Artieda, J
Bagliesi, G
Ballesteros, D
Bansal, S
Bauerdick, L
Behrenhof, W
Belforte, S
Bloom, K
Blumenfeld, B
Blyweert, S
Bonacorsi, D
Brew, C
Contreras, L
Cristofori, A
Cury, S
Gomes, DD
Santos, MDS
Dost, J
Dykstra, D
Hernandez, EF
Fanzango, F
Fisk, I
Flix, J
Georges, A
Giffels, M
Gomez-Ceballos, G
Gowdy, S
Gutsche, O
Holzman, B
Janssen, X
Kaselis, R
Kcira, D
Kim, B
Klein, D
Klute, M
Kress, T
Kreuzer, P
Lahiff, A
Larson, K
Letts, J
Levin, A
Linacre, J
Linares, L
Liu, S
Luyckx, S
Maes, M
Magini, N
Malta, A
Da Silva, JM
Mccartin, J
McCrea, A
Mohapatra, A
Molina, J
Mortensen, T
Padhi, S
Paus, C
Piperov, S
Ralph, D
Sartirana, A
Sciaba, A
Sfiligoi, I
Spinoso, V
Tadel, M
Traldi, S
Wissing, C
Wuerthwein, F
Yang, M
Zielinski, M
Zvada, M
AF Adelman, J.
Alderweireldt, S.
Artieda, J.
Bagliesi, G.
Ballesteros, D.
Bansal, S.
Bauerdick, L.
Behrenhof, W.
Belforte, S.
Bloom, K.
Blumenfeld, B.
Blyweert, S.
Bonacorsi, D.
Brew, C.
Contreras, L.
Cristofori, A.
Cury, S.
Gomes, D. da Silva
Santos, M. Dolores Saiz
Dost, J.
Dykstra, D.
Hernandez, E. Fajardo
Fanzango, F.
Fisk, I.
Flix, J.
Georges, A.
Giffels, M.
Gomez-Ceballos, G.
Gowdy, S.
Gutsche, O.
Holzman, B.
Janssen, X.
Kaselis, R.
Kcira, D.
Kim, B.
Klein, D.
Klute, M.
Kress, T.
Kreuzer, P.
Lahiff, A.
Larson, K.
Letts, J.
Levin, A.
Linacre, J.
Linares, L.
Liu, S.
Luyckx, S.
Maes, M.
Magini, N.
Malta, A.
Marra Da Silva, J.
Mccartin, J.
McCrea, A.
Mohapatra, A.
Molina, J.
Mortensen, T.
Padhi, S.
Paus, C.
Piperov, S.
Ralph, D.
Sartirana, A.
Sciaba, A.
Sfiligoi, I.
Spinoso, V.
Tadel, M.
Traldi, S.
Wissing, C.
Wuerthwein, F.
Yang, M.
Zielinski, M.
Zvada, M.
GP IOP
TI CMS computing operations during run 1
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB During the first run, CMS collected and processed more than 10B data events and simulated more than 15B events. Up to 100k processor cores were used simultaneously and 100PB of storage was managed. Each month petabytes of data were moved and hundreds of users accessed data samples. In this document we discuss the operational experience from this first run. We present the workflows and data flows that were executed, and we discuss the tools and services developed, and the operations and shift models used to sustain the system. Many techniques were followed from the original computing planning, but some were reactions to difficulties and opportunities. We also address the lessons learned from an operational perspective, and how this is shaping our thoughts for 2015.
C1 [Adelman, J.; Artieda, J.; Ballesteros, D.; Bauerdick, L.; Contreras, L.; Gomes, D. da Silva; Dykstra, D.; Fisk, I.; Gutsche, O.; Holzman, B.; Larson, K.; Linacre, J.; Liu, S.; Zielinski, M.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Adelman, J (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
EM gutsche@fnal.gov
RI Flix, Josep/G-5414-2012;
OI Flix, Josep/0000-0003-2688-8047; Holzman, Burt/0000-0001-5235-6314;
Gutsche, Oliver/0000-0002-8015-9622
NR 26
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 2014
VL 513
AR 032040
DI 10.1088/1742-6596/513/3/032040
PG 10
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200121
ER
PT S
AU Ananya
Suaide, AAD
Prado, CAG
Alt, T
Aphecetche, L
Agrawal, N
Avasthi, A
Bach, M
Bala, R
Barnafoldi, G
Bhasin, A
Belikov, J
Bellini, F
Betev, L
Breitner, T
Buncic, P
Carena, F
Carena, W
Chapeland, S
Barroso, VC
Cliff, F
Costa, F
Mendez, LC
Dash, S
Delort, C
Denes, E
Divia, R
Doenigus, B
Engel, H
Eschweiler, D
Fuchs, U
Gheata, A
Gheata, M
Ramirez, AG
Gorbunov, S
Graczykowski, L
Grigoras, A
Grigoras, C
Grigore, A
Grosso, R
Guernane, R
Gupta, A
Hrivnacova, I
Hristov, P
Ionita, C
Ivanov, M
Janikm, M
Kalcher, S
Kassalias, N
Kebschull, U
Khandelwal, R
Kushpil, S
Kisel, I
Kiss, T
Kollegger, T
Kowalski, M
Kretz, M
Kulakov, I
Lafage, V
Lara, C
Legrand, I
Lindenstruth, V
Maevskaya, A
Malzacher, P
Morsch, A
Nandi, B
Niculescu, M
Pillot, P
Planinic, M
Pluta, J
Poljak, N
Rajput, S
Read, K
Ribon, A
Rohr, D
Rubin, G
Shahoyan, R
Sharma, A
Simonetti, G
Smorholm, O
Soos, C
Szymanski, M
Telesca, A
Thaeder, J
Udupa, A
Vande Vyvre, P
Vennedey, F
von Haller, B
Wenzel, S
Zampolli, C
Zyzak, M
AF Ananya
Alarcon Do Passo Suaide, A.
Alves Garcia Prado, C.
Alt, T.
Aphecetche, L.
Agrawal, N.
Avasthi, A.
Bach, M.
Bala, R.
Barnafoldi, G.
Bhasin, A.
Belikov, J.
Bellini, F.
Betev, L.
Breitner, T.
Buncic, P.
Carena, F.
Carena, W.
Chapeland, S.
Barroso, V. Chibante
Cliff, F.
Costa, F.
Mendez, L. Cunqueiro
Dash, S.
Delort, C.
Denes, E.
Divia, R.
Doenigus, B.
Engel, H.
Eschweiler, D.
Fuchs, U.
Gheata, A.
Gheata, M.
Ramirez, A. Gomez
Gorbunov, S.
Graczykowski, L.
Grigoras, A.
Grigoras, C.
Grigore, A.
Grosso, R.
Guernane, R.
Gupta, A.
Hrivnacova, I.
Hristov, P.
Ionita, C.
Ivanov, M.
Janikm, M.
Kalcher, S.
Kassalias, N.
Kebschull, U.
Khandelwal, R.
Kushpil, S.
Kisel, I.
Kiss, T.
Kollegger, T.
Kowalski, M.
Kretz, M.
Kulakov, I.
Lafage, V.
Lara, C.
Legrand, I.
Lindenstruth, V.
Maevskaya, A.
Malzacher, P.
Morsch, A.
Nandi, B.
Niculescu, M.
Pillot, P.
Planinic, M.
Pluta, J.
Poljak, N.
Rajput, S.
Read, K.
Ribon, A.
Rohr, D.
Rubin, G.
Shahoyan, R.
Sharma, A.
Simonetti, G.
Smorholm, O.
Soos, C.
Szymanski, M.
Telesca, A.
Thaeder, J.
Udupa, A.
Vande Vyvre, P.
Vennedey, F.
von Haller, B.
Wenzel, S.
Zampolli, C.
Zyzak, M.
CA ALICE Collaboration
GP IOP
TI O-2: A novel combined online and offline computing system for the ALICE
Experiment after 2018
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB ALICE (A Large Ion Collider Experiment) is a detector dedicated to the studies with heavy ion collisions exploring the physics of strongly interacting nuclear matter and the quark-gluon plasma at the CERN LHC (Large Hadron Collider). After the second long shutdown of the LHC, the ALICE Experiment will be upgraded to make high precision measurements of rare probes at low PT, which cannot be selected with a trigger, and therefore require a very large sample of events recorded on tape. The online computing system will be completely redesigned to address the major challenge of sampling the full 50 kHz Pb-Pb interaction rate increasing the present limit by a factor of 100. This upgrade will also include the continuous un-triggered read-out of two detectors: ITS (Inner Tracking System) and TPC (Time Projection Chamber)) producing a sustained throughput of 1 TB/s. This unprecedented data rate will be reduced by adopting an entirely new strategy where calibration and reconstruction are performed online, and only the reconstruction results are stored while the raw data are discarded. This system, already demonstrated in production on the TPC data since 2011, will be optimized for the online usage of reconstruction algorithms. This implies much tighter coupling between online and offline computing systems. An R&D program has been set up to meet this huge challenge. The object of this paper is to present this program and its first results.
C1 [Betev, L.; Buncic, P.; Carena, F.; Carena, W.; Chapeland, S.; Barroso, V. Chibante; Cliff, F.; Costa, F.; Mendez, L. Cunqueiro; Delort, C.; Divia, R.; Fuchs, U.; Gheata, A.; Grigoras, A.; Grigoras, C.; Grigore, A.; Hristov, P.; Ionita, C.; Morsch, A.; Ribon, A.; Shahoyan, R.; Simonetti, G.; Soos, C.; Telesca, A.; Vande Vyvre, P.; von Haller, B.; Wenzel, S.] CERN, European Org Nucl Res, Geneva, Switzerland.
[Barnafoldi, G.; Denes, E.; Kiss, T.; Rubin, G.] Wigner RCP Hungarian Acad Sci, Budapest, Hungary.
[Grigore, A.] Univ Politehn Bucuresti, Bucharest, Romania.
[Kiss, T.] Cerntech Ltd, Budapest, Hungary.
[Alt, T.; Bach, M.; Breitner, T.; Eschweiler, D.; Gorbunov, S.; Kalcher, S.; Kisel, I.; Kollegger, T.; Kretz, M.; Lindenstruth, V.; Rohr, D.; Vennedey, F.] Goethe Univ Frankfurt, Frankfurt Inst Adv Studies, Frankfurt, Germany.
[Simonetti, G.] Dipartimento Interateneo Fis M Merlin, Bari, Italy.
[Delort, C.] Minist Affaires Etrangeres & Europeennes, Paris, France.
[Ivanov, M.; Malzacher, P.; Thaeder, J.] GSI Helmholtzzentrum Schwerionenforsch GmbH, Darmstadt, Germany.
[Breitner, T.; Engel, H.; Ramirez, A. Gomez; Kebschull, U.; Kulakov, I.; Lara, C.; Vennedey, F.; Zyzak, M.] Goethe Univ Frankfurt, Inst Informat, Frankfurt, Germany.
[Bellini, F.] Univ Bologna, Dipartimento Fis & Astron, Bologna, Italy.
[Bellini, F.] Sezione Ist Nazl Fis Nucl, Bologna, Italy.
[Doenigus, B.; Gheata, M.; Niculescu, M.] Inst Space Sci, Bucharest, Romania.
[Zampolli, C.] Ist Nazl Fis Nucl, Rome, Italy.
[Legrand, I.] CALTECH, Pasadena, CA USA.
[Grosso, R.] Univ Houston, Houston, TX USA.
[Belikov, J.] Inst Pluridisciplinaire Hubert Curien, Strasbourg, France.
[Graczykowski, L.; Janikm, M.; Pluta, J.; Szymanski, M.] Warsaw Univ Technol, Warsaw, Poland.
[Ananya; Agrawal, N.; Avasthi, A.; Dash, S.; Khandelwal, R.; Nandi, B.; Udupa, A.] IIT Indian Inst Technol, Mumbai, India.
[Poljak, N.] Inst Rudjer Boskovic, Zagreb, Croatia.
[Hrivnacova, I.; Lafage, V.] Univ Paris 11, CNRS, IN2P3, Inst Phys Nucl IPNO, Orsay, France.
[Planinic, M.] Univ Zagreb, Zagreb, Croatia.
[Bala, R.; Bhasin, A.; Gupta, A.; Rajput, S.; Sharma, A.] Univ Jammu, Jammu, India.
[Alarcon Do Passo Suaide, A.; Alves Garcia Prado, C.; Kassalias, N.] Univ Sao Paulo, Sao Paulo, Brazil.
[Smorholm, O.] Univ Birmingham, Birmingham, W Midlands, England.
[Read, K.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Kushpil, S.] Acad Sci Czech Republic, Inst Nucl Phys, Rez, Czech Republic.
[Maevskaya, A.] Acad Sci, Inst Nucl Res, Moscow, Russia.
[Aphecetche, L.; Pillot, P.] Lab Phys Subatom & Technol Associees Subatech, Nantes, France.
[Kowalski, M.] Polish Acad Sci, Henryk Niewodniczanski Inst Nucl Phys, Krakow, Poland.
[Guernane, R.] Univ Grenoble 1, LPSC, CNRS, IN2P3,Inst Polytech Grenoble, Grenoble, France.
RP Ananya (reprint author), Indian Inst Technol, Mumbai 400076, Maharashtra, India.
EM pierre.vande.vyvre@cern.ch
RI Janik, Malgorzata/O-7520-2015; Graczykowski, Lukasz/O-7522-2015; Suaide,
Alexandre/L-6239-2016;
OI Janik, Malgorzata/0000-0002-3356-3438; Suaide,
Alexandre/0000-0003-2847-6556; Read, Kenneth/0000-0002-3358-7667;
Bhasin, Anju/0000-0002-3687-8179
NR 9
TC 0
Z9 0
U1 2
U2 12
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 012037
DI 10.1088/1742-6596/513/1/012037
PG 7
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200037
ER
PT S
AU Anisenkov, A
Di Girolamo, A
Klimentov, A
Oleynik, D
Petrosyan, A
AF Anisenkov, A.
Di Girolamo, A.
Klimentov, A.
Oleynik, D.
Petrosyan, A.
CA ATLAS Collaboration
GP IOP
TI AGIS: The ATLAS Grid Information System
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB ATLAS, a particle physics experiment at the Large Hadron Collider at CERN, produced petabytes of data annually through simulation production and tens of petabytes of data per year from the detector itself. The ATLAS computing model embraces the Grid paradigm and a high degree of decentralization and computing resources able to meet ATLAS requirements of petabytes scale data operations. In this paper we describe the ATLAS Grid Information System (AGIS), designed to integrate configuration and status information about resources, services and topology of the computing infrastructure used by the ATLAS Distributed Computing applications and services.
C1 [Anisenkov, A.] Budker Inst Nucl Phys, Novosibirsk 630090, Russia.
[Di Girolamo, A.] CERN, ES Dept, CH-1211 Geneva, Switzerland.
[Klimentov, A.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Oleynik, D.; Petrosyan, A.] Joint Inst Nucl Res, Informat Technol Lab, Dubna, Russia.
RP Anisenkov, A (reprint author), Budker Inst Nucl Phys, Novosibirsk 630090, Russia.
EM Alexey.Anisenkov@cern.ch
RI Fabbri, Laura/H-3442-2012
OI Fabbri, Laura/0000-0002-4002-8353
NR 5
TC 2
Z9 2
U1 0
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 2014
VL 513
AR UNSP 032001
DI 10.1088/1742-6596/513/3/032001
PG 6
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200082
ER
PT S
AU Arkhipkin, D
Lauret, J
Zulkarneeva, Y
AF Arkhipkin, D.
Lauret, J.
Zulkarneeva, Y.
GP IOP
TI User Centric Job Monitoring - a redesign and novel approach in the STAR
experiment
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB User Centric Monitoring (or UCM) has been a long awaited feature in STAR, whereas programs, workflows and system "events" could be logged, broadcast and later analyzed. UCM allows to collect and filter available job monitoring information from various resources and present it to users in a user-centric view rather than an administrative-centric point of view. The first attempt and implementation of "a" UCM approach was made in STAR 2004 using a log4cxx plug-in back-end and then further evolved with an attempt to push toward a scalable database back-end (2006) and finally using aWeb-Service approach (2010, CSW4DB SBIR). The latest showed to be incomplete and not addressing the evolving needs of the experiment where streamlined messages for online (data acquisition) purposes as well as the continuous support for the data mining needs and event analysis need to coexists and unified in a seamless approach. The code also revealed to be hardly maintainable. This paper presents the next evolutionary step of the UCM toolkit, a redesign and redirection of our latest attempt acknowledging and integrating recent technologies and a simpler, maintainable and yet scalable manner. The extended version of the job logging package is built upon three-tier approach based on Task, Job and Event, and features a Web-Service based logging API, a responsive AJAX-powered user interface, and a database back-end relying on MongoDB, which is uniquely suited for STAR needs. In addition, we present details of integration of this logging package with the STAR offline and online software frameworks. Leveraging on the reported experience and work from the ATLAS and CMS experience on using the ESPER engine, we discuss and show how such approach has been implemented in STAR for meta-data event triggering stream processing and filtering. An ESPER based solution seems to fit well into the online data acquisition system where many systems are monitored.
C1 [Arkhipkin, D.; Lauret, J.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
RP Arkhipkin, D (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
EM arkhipkin@bnl.gov; jlauret@bnl.gov; julia.zulkarneeva@gmail.com
FU Office of Nuclear Physics within the U.S. Department of Energy's Office
of Science
FX This work was supported by the Office of Nuclear Physics within the U.S.
Department of Energy's Office of Science.
NR 2
TC 1
Z9 1
U1 0
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR UNSP 032002
DI 10.1088/1742-6596/513/3/032002
PG 7
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200083
ER
PT S
AU Arvanitis, T
Lyon, A
AF Arvanitis, Tasha
Lyon, Adam
GP IOP
TI artG4: A Generic Framework for Geant4 Simulations
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB A small experiment must devote its limited computing expertise to writing physics code directly applicable to the experiment. A software "Framework" is essential for providing an infrastructure that makes writing the physics-relevant code easy. In this paper, we describe a highly modular and easy to use framework for writing Geant4 based simulations called "artg4". This framework is a layer on top of the art framework.
C1 [Arvanitis, Tasha; Lyon, Adam] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Lyon, A (reprint author), Fermilab Natl Accelerator Lab, MS 357, Batavia, IL 60510 USA.
EM lyon@fnal.gov
NR 3
TC 2
Z9 2
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 022023
DI 10.1088/1742-6596/513/2/022023
PG 7
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200065
ER
PT S
AU Ballestrero, S
Batraneanu, SM
Brasolin, F
Contescu, C
Di Girolamo, A
Lee, CJ
Astigarraga, MEP
Scannicchio, DA
Twomey, MS
Zaytsev, A
AF Ballestrero, S.
Batraneanu, S. M.
Brasolin, F.
Contescu, C.
Di Girolamo, A.
Lee, C. J.
Astigarraga, M. E. Pozo
Scannicchio, D. A.
Twomey, M. S.
Zaytsev, A.
GP IOP
TI Design and performance of the virtualization platform for offline
computing on the ATLAS TDAQ Farm
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB With the LHC collider at CERN currently going through the period of Long Shutdown 1 there is an opportunity to use the computing resources of the experiments' large trigger farms for other data processing activities. In the case of the ATLAS experiment, the TDAQ farm, consisting of more than 1500 compute nodes, is suitable for running Monte Carlo (MC) production jobs that are mostly CPU and not I/O bound. This contribution gives a thorough review of the design and deployment of a virtualized platform running on this computing resource and of its use to run large groups of CernVM based virtual machines operating as a single CERN-P1 WLCG site. This platform has been designed to guarantee the security and the usability of the ATLAS private network, and to minimize interference with TDAQ's usage of the farm. Openstack has been chosen to provide a cloud management layer. The experience gained in the last 3.5 months shows that the use of the TDAQ farm for the MC simulation contributes to the ATLAS data processing at the level of a large Tier-1 WLCG site, despite the opportunistic nature of the underlying computing resources being used.
C1 [Ballestrero, S.; Lee, C. J.] Univ Johannesburg, Johannesburg, South Africa.
[Batraneanu, S. M.] Univ Calif Irvine, Irvine, CA USA.
[Brasolin, F.] Ist Nazl Fis, Nucl Sez, Bologna, Italy.
[Contescu, C.; Di Girolamo, A.; Lee, C. J.; Astigarraga, M. E. Pozo] CERN, CH-1211 Geneva 23, Switzerland.
[Contescu, C.] Polytechn Univ Bucharest, Bucharest, Romania.
[Twomey, M. S.] Univ Washington, Dept Phys, Washington, DC USA.
[Zaytsev, A.] Brookhaven Natl Lab, Upton, NY USA.
RP Ballestrero, S (reprint author), Univ Johannesburg, Johannesburg, South Africa.
EM atlas-tdaq-sysadmins@cern.ch; alezayt@bnl.gov
NR 5
TC 2
Z9 2
U1 0
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR UNSP 032011
DI 10.1088/1742-6596/513/3/032011
PG 5
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200092
ER
PT S
AU Barberis, D
Cranshaw, J
Dimitrov, G
Doherty, T
Gallas, EJ
Hrivnac, J
Malon, D
Nairz, A
Nowak, M
Quilty, D
Sorokoletov, R
Van Gemmeren, P
Zhang, Q
AF Barberis, D.
Cranshaw, J.
Dimitrov, G.
Doherty, T.
Gallas, E. J.
Hrivnac, J.
Malon, D.
Nairz, A.
Nowak, M.
Quilty, D.
Sorokoletov, R.
Van Gemmeren, P.
Zhang, Q.
CA ATLAS Collaboration
GP IOP
TI The future of event-level information repositories, indexing, and
selection in ATLAS
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB ATLAS maintains a rich corpus of event-by-event information that provides a global view of the billions of events the collaboration has measured or simulated, along with sufficient auxiliary information to navigate to and retrieve data for any event at any production processing stage. This unique resource has been employed for a range of purposes, from monitoring, statistics, anomaly detection, and integrity checking, to event picking, subset selection, and sample extraction. Recent years of data-taking provide a foundation for assessment of how this resource has and has not been used in practice, of the uses for which it should be optimized, of how it should be deployed and provisioned for scalability to future data volumes, and of the areas in which enhancements to functionality would be most valuable.
This paper describes how ATLAS event-level information repositories and selection infrastructure are evolving in light of this experience, and in view of their expected roles both in wide-area event delivery services and in an evolving ATLAS analysis model in which the importance of efficient selective access to data can only grow.
C1 [Cranshaw, J.; Malon, D.; Van Gemmeren, P.; Zhang, Q.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Barberis, D.] Univ Genoa, Genoa, Italy.
[Dimitrov, G.; Nairz, A.; Sorokoletov, R.] CERN, CH-1211 Geneva 23, Switzerland.
[Doherty, T.; Quilty, D.] Univ Glasgow, Glasgow, Lanark, Scotland.
[Hrivnac, J.] Univ Oxford, Oxford, England.
[Hrivnac, J.] Univ Paris 11, CNRS, IN2P3, LAL, Orsay, France.
[Gallas, E. J.] Brookhaven Natl Lab, Upton, NY USA.
RP Cranshaw, J (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM Jack.Cranshaw@cern.ch
RI Fabbri, Laura/H-3442-2012
OI Fabbri, Laura/0000-0002-4002-8353
NR 13
TC 2
Z9 2
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 2014
VL 513
AR UNSP 042009
DI 10.1088/1742-6596/513/4/042009
PG 6
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200197
ER
PT S
AU Barberis, D
Cranshaw, J
Dimitrov, G
Favareto, A
Casani, AF
de la Hoz, SG
Hrivnac, J
Malon, D
Nowak, M
Cairols, JS
Sanchez, J
Sorokoletov, R
Zhang, Q
AF Barberis, D.
Cranshaw, J.
Dimitrov, G.
Favareto, A.
Fernandez Casani, A.
Gonzalez de la Hoz, S.
Hrivnac, J.
Malon, D.
Nowak, M.
Salt Cairols, J.
Sanchez, J.
Sorokoletov, R.
Zhang, Q.
CA ATLAS Collaboration
GP IOP
TI The ATLAS Event Index: an event catalogue for experiments collecting
large amounts of data
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB Modern scientific experiments collect vast amounts of data that must be catalogued to meet multiple use cases and search criteria. In particular, high-energy physics experiments currently in operation produce several billion events per year. A database with the references to the files including each event in every stage of processing is necessary in order to retrieve the selected events from data storage systems. The ATLAS Event Index project is studying the best way to store the necessary information using modern data storage technologies (Hadoop, HBase etc.) that allow saving in memory key-value pairs and select the best tools to support this application from the point of view of performance, robustness and ease of use. This paper describes the initial design and performance tests and the project evolution towards deployment and operation during 2014.
C1 [Barberis, D.; Favareto, A.] Univ Genoa, Genoa, Italy.
[Barberis, D.; Favareto, A.] Ist Nazl Fis Nucl, Genoa, Italy.
[Cranshaw, J.; Malon, D.; Zhang, Q.] Argonne Natl Lab, Argonne, IL USA.
[Dimitrov, G.] CERN, CH-1211 Geneva 23, Switzerland.
[Fernandez Casani, A.; Gonzalez de la Hoz, S.; Salt Cairols, J.; Sanchez, J.] Univ Valencia, CSIC, Inst Fis Corpuscular IFIC, Valencia, Spain.
[Hrivnac, J.] Univ Paris 11, CNRS, IN2P3, LAL, Orsay, France.
[Nowak, M.] Brookhaven Natl Lab, Upton, NY USA.
[Sorokoletov, R.] Univ Texas Arlington, Arlington, TX USA.
RP Barberis, D (reprint author), Univ Genoa, Genoa, Italy.
EM Dario.Barberis@cern.ch
RI Fernandez Casani, Alvaro/F-3149-2016; Fabbri, Laura/H-3442-2012
OI Fernandez Casani, Alvaro/0000-0003-1394-509X; Fabbri,
Laura/0000-0002-4002-8353
NR 7
TC 5
Z9 5
U1 0
U2 5
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR UNSP 042002
DI 10.1088/1742-6596/513/4/042002
PG 6
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200190
ER
PT S
AU Bauerdick, LAT
Bloom, K
Bockelman, B
Bradley, DC
Dasu, S
Dost, JM
Sfiligoi, I
Tadel, A
Tadel, M
Wuerthwein, F
Yagil, A
AF Bauerdick, L. A. T.
Bloom, K.
Bockelman, B.
Bradley, D. C.
Dasu, S.
Dost, J. M.
Sfiligoi, I.
Tadel, A.
Tadel, M.
Wuerthwein, F.
Yagil, A.
CA CMS Collaboration
GP IOP
TI XRootd, disk-based, caching proxy for optimization of data access, data
placement and data replication
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB Following the success of the XRootd-based US CMS data federation, the AAA project investigated extensions of the federation architecture by developing two sample implementations of an XRootd, disk-based, caching proxy. The first one simply starts fetching a whole file as soon as a file open request is received and is suitable when completely random file access is expected or it is already known that a whole file be read. The second implementation supports on-demand downloading of partial files. Extensions to the Hadoop Distributed File System have been developed to allow for an immediate fallback to network access when local HDFS storage fails to provide the requested block. Both cache implementations are in pre-production testing at UCSD.
C1 [Bauerdick, L. A. T.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Tadel, M (reprint author), Univ Calif San Diego, La Jolla, CA 92093 USA.
EM mtadel@ucsd.edu
NR 5
TC 4
Z9 4
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 2014
VL 513
AR 042044
DI 10.1088/1742-6596/513/4/042044
PG 6
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200232
ER
PT S
AU Bejar, JC
Caramarcu, C
De Stefano, J
Ernst, M
Fetzko, J
Gamboa, C
Hollowell, C
Hover, J
Kandasamy, S
Karasawa, M
Liu, Z
Misawa, S
Strecker-Kellogg, W
Rind, O
Smith, J
Wlodek, T
Wong, A
Yu, D
Zaytsev, A
Zhao, X
AF Bejar, J. Caballero
Caramarcu, C.
De Stefano, J., Jr.
Ernst, M.
Fetzko, J.
Gamboa, C.
Hollowell, C.
Hover, J.
Kandasamy, S.
Karasawa, M.
Liu, Z.
Misawa, S.
Strecker-Kellogg, W.
Rind, O.
Smith, J.
Wlodek, T.
Wong, A.
Yu, D.
Zaytsev, A.
Zhao, X.
GP IOP
TI Disaster Recovery and Data Centre Operational Continuity
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB The RHIC and ATLAS Computing Facility (RACF) at Brookhaven Lab is a dedicated data center serving the needs of the RHIC and US ATLAS community. Since it began operations in the mid-1990's, it has operated continuously with few unplanned downtimes. In the past 15 months, Brookhaven Lab has been affected by two hurricanes and a record-breaking snowstorm. In this presentation, we discuss lessons learned regarding (natural or man-made) disaster preparedness, operational continuity, remote access and safety protocols, including overall operational procedures developed as a result of these recent events.
C1 [Bejar, J. Caballero; Caramarcu, C.; De Stefano, J., Jr.; Ernst, M.; Fetzko, J.; Gamboa, C.; Hollowell, C.; Hover, J.; Kandasamy, S.; Karasawa, M.; Liu, Z.; Misawa, S.; Strecker-Kellogg, W.; Rind, O.; Smith, J.; Wlodek, T.; Wong, A.; Yu, D.; Zaytsev, A.; Zhao, X.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
RP Bejar, JC (reprint author), Brookhaven Natl Lab, Dept Phys, POB 5000, Upton, NY 11973 USA.
EM tony@bnl.gov
NR 0
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 2014
VL 513
AR 062052
DI 10.1088/1742-6596/513/6/062052
PG 6
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200331
ER
PT S
AU Bockelman, B
Bejar, JC
De Stefano, J
Hover, J
Quick, R
Teige, S
AF Bockelman, B.
Bejar, J. Caballero
De Stefano, J.
Hover, J.
Quick, R.
Teige, S.
GP IOP
TI OASIS: a data and software distribution service for Open Science Grid
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB The Open Science Grid encourages the concept of software portability: a user's scientific application should be able to run at as many sites as possible. It is necessary to provide a mechanism for OSG Virtual Organizations to install software at sites. Since its initial release, the OSG Compute Element has provided an application software installation directory to Virtual Organizations, where they can create their own sub-directory, install software into that sub-directory, and have the directory shared on the worker nodes at that site.
The current model has shortcomings with regard to permissions, policies, versioning, and the lack of a unified, collective procedure or toolset for deploying software across all sites. Therefore, a new mechanism for data and software distributing is desirable.
The architecture for the OSG Application Software Installation Service (OASIS) is a server-client model: the software and data are installed only once in a single place, and are automatically distributed to all client sites simultaneously.
Central file distribution offers other advantages, including server-side authentication and authorization, activity records, quota management, data validation and inspection, and welldefined versioning and deletion policies.
The architecture, as well as a complete analysis of the current implementation, will be described in this paper.
C1 [Bockelman, B.] Univ Nebraska, Lincoln, NE 68588 USA.
[Bejar, J. Caballero; De Stefano, J.; Hover, J.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Quick, R.; Teige, S.] Indiana Univ, Bloomington, IN 47404 USA.
RP Bockelman, B (reprint author), Univ Nebraska, Lincoln, NE 68588 USA.
EM jcaballero@bnl.gov
NR 5
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR UNSP 032013
DI 10.1088/1742-6596/513/3/032013
PG 6
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200094
ER
PT S
AU Box, D
AF Box, Dennis
GP IOP
TI FIFE-Jobsub: a grid submission system for intensity frontier experiments
at Fermilab
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB The Fermilab Intensity Frontier Experiments use an integrated submission system known as FIFE-jobsub, part of the FIFE (Fabric for Frontier Experiments) initiative, to submit batch jobs to the Open Science Grid. FIFE-jobsub eases the burden on experimenters by integrating data transfer and site selection details in an easy to use and well-documented format. FIFE-jobsub automates tedious details of maintaining grid proxies for the lifetime of the grid job. Data transfer is handled using the Intensity Frontier Data Handling Client (IFDHC) [1] tool suite, which facilitates selecting the appropriate data transfer method from many possibilities while protecting shared resources from overload. Chaining of job dependencies into Directed Acyclic Graphs (Condor DAGS) is well supported and made easier through the use of input flags and parameters.
C1 Fermilab Natl Accelerator Lab, Div Comp Sci, Batavia, IL 60510 USA.
RP Box, D (reprint author), Fermilab Natl Accelerator Lab, Div Comp Sci, POB 500, Batavia, IL 60510 USA.
EM dbox@fnal.gov
NR 4
TC 2
Z9 2
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 032010
DI 10.1088/1742-6596/513/3/032010
PG 5
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200091
ER
PT S
AU Canal, P
Elvira, D
Jun, SY
Kowalkowski, J
Paterno, M
Apostolakis, J
AF Canal, P.
Elvira, D.
Jun, S. Y.
Kowalkowski, J.
Paterno, M.
Apostolakis, J.
GP IOP
TI High energy electromagnetic particle transportation on the GPU
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
ID INITIAL-VALUE PROBLEMS
AB We present massively parallel high energy electromagnetic particle transportation through a finely segmented detector on a Graphics Processing Unit (GPU). Simulating events of energetic particle decay in a general-purpose high energy physics (HEP) detector requires intensive computing resources, due to the complexity of the geometry as well as physics processes applied to particles copiously produced by primary collisions and secondary interactions. The recent advent of hardware architectures of many-core or accelerated processors provides the variety of concurrent programming models applicable not only for the high performance parallel computing, but also for the conventional computing intensive application such as the HEP detector simulation. The components of our prototype are a transportation process under a non-uniform magnetic field, geometry navigation with a set of solid shapes and materials, electromagnetic physics processes for electrons and photons, and an interface to a framework that dispatches bundles of tracks in a highly vectorized manner optimizing for spatial locality and throughput. Core algorithms and methods are excerpted from the Geant4 toolkit, and are modified and optimized for the GPU application. Program kernels written in C/C++ are designed to be compatible with CUDA and OpenCL and with the aim to be generic enough for easy porting to future programming models and hardware architectures. To improve throughput by overlapping data transfers with kernel execution, multiple CUDA streams are used. Issues with floating point accuracy, random numbers generation, data structure, kernel divergences and register spills are also considered. Performance evaluation for the relative speedup compared to the corresponding sequential execution on CPU is presented as well.
C1 [Canal, P.; Elvira, D.; Jun, S. Y.; Kowalkowski, J.; Paterno, M.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Canal, P (reprint author), Fermilab Natl Accelerator Lab, MS234,POB 500, Batavia, IL 60510 USA.
EM syjun@fnal.gov
OI Jun, Soon Yung/0000-0003-3370-6109
NR 11
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 2014
VL 513
AR 052013
DI 10.1088/1742-6596/513/5/052013
PG 7
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200254
ER
PT S
AU Casella, K
Garcia, E
Hogue, R
Hollowell, C
Strecker-Kellogg, W
Wong, A
Zaytsev, A
AF Casella, K.
Garcia, E.
Hogue, R.
Hollowell, C.
Strecker-Kellogg, W.
Wong, A.
Zaytsev, A.
GP IOP
TI SynapSense Wireless Environmental Monitoring System of the RHIC & ATLAS
Computing Facility at BNL
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB RHIC & ATLAS Computing Facility (RACF) at BNL is a 15000 sq. ft. facility hosting the IT equipment of the BNL ATLAS WLCG Tier-1 site, offline farms for the STAR and PHENIX experiments operating at the Relativistic Heavy Ion Collider (RHIC), the BNL Cloud installation, various Open Science Grid (OSG) resources, and many other small physics research oriented IT installations. The facility originated in 1990 and grew steadily up to the present configuration with 4 physically isolated IT areas with the maximum rack capacity of about 1000 racks and the total peak power consumption of 1.5 MW. In June 2012 a project was initiated with the primary goal to replace several environmental monitoring systems deployed earlier within RACF with a single commercial hardware and software solution by SynapSense Corporation based on wireless sensor groups and proprietary SynapSense (TM) MapSense (TM) software that offers a unified solution for monitoring the temperature and humidity within the rack/CRAC units as well as pressure distribution underneath the raised floor across the entire facility. The deployment was completed successfully in 2013. The new system also supports a set of additional features such as capacity planning based on measurements of total heat load, power consumption monitoring and control, CRAC unit power consumption optimization based on feedback from the temperature measurements and overall power usage efficiency estimations that are not currently implemented within RACF but may be deployed in the future.
C1 [Casella, K.; Garcia, E.; Hogue, R.; Hollowell, C.; Strecker-Kellogg, W.; Wong, A.; Zaytsev, A.] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Casella, K (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM kac@bnl.gov; alezayt@bnl.gov
NR 6
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 062054
DI 10.1088/1742-6596/513/6/062054
PG 7
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200333
ER
PT S
AU Dimitrov, G
Obreshkov, E
Simmons, B
Undrus, A
AF Dimitrov, G.
Obreshkov, E.
Simmons, B.
Undrus, A.
CA ATLAS Collaboration
GP IOP
TI ATLAS Nightly Build System Upgrade
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB The ATLAS Nightly Build System is a facility for automatic production of software releases. Being the major component of ATLAS software infrastructure, it supports more than 50 multi-platform branches of nightly releases and provides ample opportunities for testing new packages, for verifying patches to existing software, and for migrating to new platforms and compilers. The Nightly System testing framework runs several hundred integration tests of different granularity and purpose. The nightly releases are distributed and validated, and some are transformed into stable releases used for data processing worldwide. The first LHC long shutdown (2013-2015) activities will elicit increased load on the Nightly System as additional releases and builds are needed to exploit new programming techniques, languages, and profiling tools. This paper describes the plan of the ATLAS Nightly Build System Long Shutdown upgrade. It brings modern database and web technologies into the Nightly System, improves monitoring of nightly build results, and provides new tools for offline release shifters. We will also outline our long-term plans for distributed nightly releases builds and testing.
C1 [Dimitrov, G.] CERN, CH-1211 Geneva, Switzerland.
RP Undrus, A (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM undrus@bnl.gov
NR 11
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 052034
DI 10.1088/1742-6596/513/5/052034
PG 5
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200275
ER
PT S
AU Dimitrov, G
Maeno, T
Garonne, V
AF Dimitrov, G.
Maeno, T.
Garonne, V.
CA ATLAS Collaboration
GP IOP
TI Next generation database relational solutions for ATLAS distributed
computing
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB The ATLAS Distributed Computing (ADC) project delivers production tools and services for ATLAS offline activities such as data placement and data processing on the Grid. The system has been capable of sustaining with high efficiency the needed computing activities during the first run of LHC data taking, and has demonstrated flexibility in reacting promptly to new challenges. Databases are a vital part of the whole ADC system. The Oracle Relational Database Management System (RDBMS) has been addressing a majority of the ADC database requirements for many years. Much expertise was gained through the years and without a doubt will be used as a good foundation for the next generation PanDA (Production ANd Distributed Analysis) and DDM (Distributed Data Management) systems. In this paper we present the current production ADC database solutions and notably the planned changes on the PanDA system, and the next generation ATLAS DDM system called Rucio. Significant work was performed on studying different solutions to arrive at the best relational and physical database model for performance and scalability in order to be ready for deployment and operation in 2014.
C1 [Dimitrov, G.; Garonne, V.] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland.
[Maeno, T.] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Dimitrov, G (reprint author), CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland.
EM gancho.dimitrov@cern.ch
NR 3
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR UNSP 042012
DI 10.1088/1742-6596/513/4/042012
PG 7
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200200
ER
PT S
AU Dykstra, D
Blomer, J
AF Dykstra, D.
Blomer, J.
GP IOP
TI Security in the CernVM File System and the Frontier Distributed Database
Caching System
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB Both the CernVM File System (CVMFS) and the Frontier Distributed Database Caching System (Frontier) distribute centrally updated data worldwide for LHC experiments using http proxy caches. Neither system provides privacy or access control on reading the data, but both control access to updates of the data and can guarantee the authenticity and integrity of the data transferred to clients over the internet. CVMFS has since its early days required digital signatures and secure hashes on all distributed data, and recently Frontier has added X.509-based authenticity and integrity checking. In this paper we detail and compare the security models of CVMFS and Frontier.
C1 [Dykstra, D.] Fermilab Natl Accelerator Lab, Div Comp Sci, Batavia, IL 60510 USA.
[Blomer, J.] CERN, PH SFT Dept, Geneva, Switzerland.
RP Dykstra, D (reprint author), Fermilab Natl Accelerator Lab, Div Comp Sci, Batavia, IL 60510 USA.
EM dwd@fnal.gov; jblomer@cern.ch
FU Fermi Research Alliance, LLC with the United States Department of Energy
[DE- AC02- 07CH11359]
FX Fermilab is operated by Fermi Research Alliance, LLC under Contract No.
DE- AC02- 07CH11359 with the United States Department of Energy.
NR 4
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR UNSP 042015
DI 10.1088/1742-6596/513/4/042015
PG 6
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200203
ER
PT S
AU Ernst, M
Hogue, R
Hollowell, C
Strecker-Kellog, W
Wong, A
Zaytsev, A
AF Ernst, M.
Hogue, R.
Hollowell, C.
Strecker-Kellog, W.
Wong, A.
Zaytsev, A.
GP IOP
TI Operating Dedicated Data Centers - Is It Cost-Effective?
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB The advent of cloud computing centres such as Amazon's EC2 and Google's Computing Engine has elicited comparisons with dedicated computing clusters. Discussions on appropriate usage of cloud resources (both academic and commercial) and costs have ensued. This presentation discusses a detailed analysis of the costs of operating and maintaining the RACF (RHIC and ATLAS Computing Facility) compute cluster at Brookhaven National Lab and compares them with the cost of cloud computing resources under various usage scenarios. An extrapolation of likely future cost effectiveness of dedicated computing resources is also presented.
C1 [Ernst, M.; Hogue, R.; Hollowell, C.; Strecker-Kellog, W.; Wong, A.; Zaytsev, A.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
RP Ernst, M (reprint author), Brookhaven Natl Lab, Dept Phys, POB 5000, Upton, NY 11973 USA.
EM tony@bnl.gov
NR 1
TC 1
Z9 1
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 062053
DI 10.1088/1742-6596/513/6/062053
PG 5
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200332
ER
PT S
AU Eulisse, G
Muzaffar, S
Abdurachmanov, D
Mendez, D
AF Eulisse, Giulio
Muzaffar, Shahzad
Abdurachmanov, David
Mendez, David
GP IOP
TI Rise of the Build Infrastructure
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB CMS Offline Software, CMSSW, is an extremely large software project, with roughly 3 millions lines of code, two hundreds of active developers and two to three active development branches. Given the scale of the problem, both from a technical and a human point of view, being able to keep on track such a large project, bug free, and to deliver builds for different architectures is a challenge in itself. Moreover the challenges posed by the future migration of CMSSW to multithreading also require adapting and improving our QA tools. We present the work done in the last two years in our build and integration infrastructure, particularly in the form of improvements to our build tools, in the simplification and extensibility of our build infrastructure and the new features added to our QA and profiling tools. Finally we present our plans for the future directions for code management and how this reflects on our workflows and the underlying software infrastructure.
C1 [Eulisse, Giulio; Muzaffar, Shahzad] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Eulisse, G (reprint author), Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
EM giulio.eulisse@cern.ch
NR 6
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 052009
DI 10.1088/1742-6596/513/5/052009
PG 7
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200250
ER
PT S
AU Garzoglio, G
Mhashilkar, P
Kim, H
Dykstra, D
Slyz, M
AF Garzoglio, Gabriele
Mhashilkar, Parag
Kim, Hyunwoo
Dykstra, Dave
Slyz, Marko
GP IOP
TI Big Data Over a 100G Network at Fermilab
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB As the need for Big Data in science becomes ever more relevant, networks around the world are upgrading their infrastructure to support high-speed interconnections. To support its mission, the high-energy physics community as a pioneer in Big Data has always been relying on the Fermi National Accelerator Laboratory to be at the forefront of storage and data movement. This need was reiterated in recent years with the data-taking rate of the major LHC experiments reaching tens of petabytes per year. At Fermilab, this resulted regularly in peaks of data movement on the Wide area network (WAN) in and out of the laboratory of about 30 Gbit/s and on the Local are network (LAN) between storage and computational farms of 160 Gbit/s. To address these ever increasing needs, as of this year Fermilab is connected to the Energy Sciences Network (ESnet) through a 100 Gb/s link. To understand the optimal system-and application-level configuration to interface computational systems with the new highspeed interconnect, Fermilab has deployed a Network Research & Development facility connected to the ESnet 100G Testbed. For the past two years, the High Throughput Data Program (HTDP) has been using the Testbed to identify gaps in data movement middleware [5] when transferring data at these high-speeds. The program has published evaluations of technologies typically used in High Energy Physics, such as GridFTP [4], XrootD [9], and Squid [8]. This work presents the new R&D facility and the continuation of the evaluation program.
C1 [Garzoglio, Gabriele; Mhashilkar, Parag; Kim, Hyunwoo; Dykstra, Dave; Slyz, Marko] Fermilab Natl Accelerator Lab, Div Comp Sci, Batavia, IL 60510 USA.
RP Garzoglio, G (reprint author), Fermilab Natl Accelerator Lab, Div Comp Sci, Batavia, IL 60510 USA.
EM garzoglio@fnal.gov; parag@fnal.gov; hyunwoo@fnal.gov; dwd@fnal.gov;
mslyz@fnal.gov
NR 7
TC 1
Z9 1
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 2014
VL 513
AR 062017
DI 10.1088/1742-6596/513/6/062017
PG 6
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200296
ER
PT S
AU Giffels, M
Guo, Y
Riley, D
AF Giffels, M.
Guo, Y.
Riley, D.
GP IOP
TI Data Bookkeeping Service 3-Providing event metadata in CMS
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB The Data Bookkeeping Service 3 provides a catalog of event metadata for Monte Carlo and recorded data of the Compact Muon Solenoid (CMS) experiment at the Large Hadron Collider (LHC) at CERN, Geneva. It comprises all necessary information for tracking datasets, their processing history and associations between runs, files and datasets, on a large scale of about 200,000 datasets and more than 40 million files, which adds up in around 700 GB of metadata. The DBS is an essential part of the CMS Data Management and Workload Management (DMWM) systems [1], all kind of data-processing like Monte Carlo production, processing of recorded event data as well as physics analysis done by the users are heavily relying on the information stored in DBS.
C1 [Giffels, M.] CERN, PH CMG CO, CH-1211 Geneva 23, Switzerland.
[Guo, Y.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
[Riley, D.] Cornell Univ, Ithaca, NY USA.
RP Giffels, M (reprint author), CERN, PH CMG CO, CH-1211 Geneva 23, Switzerland.
EM Manuel.Giffels@cern.ch; yuyi@fnal.gov; Daniel.Riley@cornell.edu
NR 10
TC 1
Z9 1
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 2014
VL 513
AR UNSP 042022
DI 10.1088/1742-6596/513/4/042022
PG 7
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200210
ER
PT S
AU Hollowell, C
Hogue, R
Smith, J
Strecker-Kellogg, W
Wong, A
Zaytsev, A
AF Hollowell, Christopher
Hogue, Richard
Smith, Jason
Strecker-Kellogg, William
Wong, Antonio
Zaytsev, Alexandr
GP IOP
TI The Effect of Flashcache and Bcache on I/O Performance
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB Solid state drives (SSDs) provide significant improvements in random I/O performance over traditional rotating SATA and SAS drives. While the cost of SSDs has been steadily declining over the past few years, high density SSDs continue to remain prohibitively expensive when compared to traditional drives. Currently, 1 TB SSDs generally cost more than USD $1,000, while 1 TB SATA drives typically retail for under USD $100. With ever-increasing x86_64 server CPU core counts, and therefore job slot counts, local scratch space density and random I/O performance have become even more important for HEP/NP applications.
Flashcache and Bcache are Linux kernel modules which implement caching of SATA/SAS hard drive data on SSDs, effectively allowing one to create hybrid SSD drives using software. In this paper, we discuss our experience with Flashcache and Bcache, and the effects of this software on local scratch storage performance.
C1 [Hollowell, Christopher; Hogue, Richard; Smith, Jason; Strecker-Kellogg, William; Wong, Antonio; Zaytsev, Alexandr] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Hollowell, C (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM hollowec@bnl.gov; rhogue@bnl.gov; smithj4@bnl.gov; willsk@bnl.gov;
tony@bnl.gov; alezayt@bnl.gov
NR 1
TC 1
Z9 1
U1 0
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 062023
DI 10.1088/1742-6596/513/6/062023
PG 7
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200302
ER
PT S
AU Huang, CH
Wildish, T
Zhang, X
AF Huang, C-H
Wildish, T.
Zhang, X.
GP IOP
TI Re-designing the PhEDEx Security Model
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB PhEDEx, the data-placement tool used by the CMS experiment at the LHC, was conceived in a more trusting time. The security model provided a safe environment for site agents and operators, but offerred little more protection than that. Data was not sufficiently protected against loss caused by operator error or software bugs or by deliberate manipulation of the database. Operators were given high levels of access to the database, beyond what was actually needed to accomplish their tasks. This exposed them to the risk of suspicion should an incident occur. Multiple implementations of the security model led to difficulties maintaining code, which can lead to degredation of security over time.
In order to meet the simultaneous goals of protecting CMS data, protecting the operators from undue exposure to risk, increasing monitoring capabilities and improving maintainability of the security model, the PhEDEx security model was redesigned and re-implemented. Security was moved from the application layer into the database itself, fine-grained access roles were established, and tools and procedures created to control the evolution of the security model over time. In this paper we describe this work, we describe the deployment of the new security model, and we show how these enhancements improve security on several fronts simultaneously.
C1 [Huang, C-H] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Huang, CH (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
EM awildish@princeton.edu
NR 7
TC 0
Z9 0
U1 0
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 042051
DI 10.1088/1742-6596/513/4/042051
PG 6
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200239
ER
PT S
AU Huang, CH
Wildish, T
Ratnikova, N
Sanchez-Hernandez, A
Zhang, X
Magini, N
AF Huang, C-H
Wildish, T.
Ratnikova, N.
Sanchez-Hernandez, A.
Zhang, X.
Magini, N.
GP IOP
TI Request for All - A Generalized Request Framework for PhEDEx
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB PhEDEx has been serving CMS community since 2004 as the data broker. Every PhEDEx operation is initiated by a request, e.g. request to move or to delete data, and so on. A request has it own life cycle, including creation, approval, notification, and book keeping and the details depend on its type. Currently, only two kinds of requests, transfer and deletion, are fully integrated in PhEDEx. They are tailored specifically to the operations' workflows. To be able to serve a new type of request it generally means a fair amount of development work.
After several many years of operation, we have gathered enough experience to rethink the request handling in PhEDEx. Generalized Request Project is set to abstract such experience and design a request system which is not tied into current workflow yet it is general enough to accommodate current and future requests.
The challenges are dealing with different stages in a request's life cycle, complexity of approval process and complexity of the ability and authority associated with each role in the context of the request.
We start with a high level abstraction driven by a deterministic finite automata, followed by a formal description and handling of approval process, followed by a set of tools that make such system friendly to the users. Since we have a formal way to describe the life of a request and a mechanism to systematically handle it, to serve a new kind of request is merely a configuration issue, adding the description of the new request rather than development effort.
In this paper, we share the design and implementation of a generalized request framework and the experience of taking an existing serving system through a re-design and re-deployment.
C1 [Huang, C-H; Ratnikova, N.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Huang, CH (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
EM huangch@fnal.gov
NR 2
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 032043
DI 10.1088/1742-6596/513/3/032043
PG 6
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200124
ER
PT S
AU Illingworth, RA
AF Illingworth, R. A.
GP IOP
TI A data handling system for modern and future Fermilab experiments
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB Current and future Fermilab experiments such as Minerva, NOvA, and MicroBoone are now using an improved version of the Fermilab SAM data handling system. SAM was originally used by the CDF and D0 experiments for Run II of the Fermilab Tevatron to provide file metadata and location cataloguing, uploading of new files to tape storage, dataset management, file transfers between global processing sites, and processing history tracking. However SAM was heavily tailored to the Run II environment and required complex and hard to deploy client software, which made it hard to adapt to new experiments. The Fermilab Computing Sector has progressively updated SAM to use modern, standardized, technologies in order to more easily deploy it for current and upcoming Fermilab experiments, and to support the data preservation efforts of the Run II experiments.
C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Illingworth, RA (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
EM illingwo@fnal.gov
NR 7
TC 6
Z9 6
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 032045
DI 10.1088/1742-6596/513/3/032045
PG 7
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200126
ER
PT S
AU Jones, CD
Sexton-Kennedy, E
AF Jones, C. D.
Sexton-Kennedy, E.
GP IOP
TI Stitched Together: Transitioning CMS to a Hierarchical Threaded
Framework
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB Modern computing hardware is transitioning from using a single high frequency complicated computing core to many lower frequency simpler cores. As part of that transition, hardware manufacturers are urging developers to exploit concurrency in their programs via operating system threads. We will present CMS' effort to evolve our single threaded framework into a highly concurrent framework. We will outline the design of the new framework and how the design was constrained by the initial single threaded design. Then we will discuss the tools we have used to identify and correct thread unsafe user code. Finally we will end with a description of the coding patterns we found useful when converting code to being thread-safe.
C1 [Jones, C. D.; Sexton-Kennedy, E.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Jones, CD (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
EM cdj@fnal.gov; sexton@fnal.gov
NR 1
TC 1
Z9 1
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 022034
DI 10.1088/1742-6596/513/2/022034
PG 7
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200076
ER
PT S
AU Kirby, M
AF Kirby, Michael
GP IOP
TI The Fabric for Frontier Experiments Project at Fermilab
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB The FabrIc for Frontier Experiments (FIFE) project is a new, far-reaching initiative within the Fermilab Scientific Computing Division to drive the future of computing services for experiments at FNAL and elsewhere. It is a collaborative effort between computing professionals and experiment scientists to produce an end-to-end, fully integrated set of services for computing on the grid and clouds, managing data, accessing databases, and collaborating within experiments. FIFE includes 1) easy to use job submission services for processing physics tasks on the Open Science Grid and elsewhere; 2) an extensive data management system for managing local and remote caches, cataloging, querying, moving, and tracking the use of data; 3) custom and generic database applications for calibrations, beam information, and other purposes; 4) collaboration tools including an electronic log book, speakers bureau database, and experiment membership database. All of these aspects will be discussed in detail. FIFE sets the direction of computing at Fermilab experiments now and in the future, and therefore is a major driver in the design of computing services worldwide.
C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Kirby, M (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
EM kirby@fnal.gov
NR 9
TC 2
Z9 2
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 032049
DI 10.1088/1742-6596/513/3/032049
PG 6
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200130
ER
PT S
AU Kowalkowski, J
AF Kowalkowski, J.
GP IOP
TI Data processing in the wake of massive multi-core processors
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB Developments in concurrency (massive multi-core, GPU, and architectures such as ARM) are changing the physics computing landscape. This paper will describe the use of GPU and massive multi-core, and the changes that result from massive parallelization and the impact on data processing.
Major HEP event-processing framework software runs within the changing computing environment. These frameworks have been evolving to accommodate the changes. The framework changes need to go quite a bit further, to better handle coprocessors with alternative architectures.
C1 Fermilab Natl Accelerator Lab, Div Comp Sci, Batavia, IL 60510 USA.
RP Kowalkowski, J (reprint author), Fermilab Natl Accelerator Lab, Div Comp Sci, Batavia, IL 60510 USA.
EM jbk@fnal.gov
NR 5
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 052015
DI 10.1088/1742-6596/513/5/052015
PG 10
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200256
ER
PT S
AU Levshina, T
Guru, A
AF Levshina, T.
Guru, A.
GP IOP
TI Public storage for the Open Science Grid
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB The Open Science Grid infrastructure doesn't provide efficient means to manage public storage offered by participating sites. A Virtual Organization that relies on opportunistic storage has difficulties finding appropriate storage, verifying its availability, and monitoring its utilization. The involvement of the production manager, site administrators and VO support personnel is required to allocate or rescind storage space. One of the main requirements for Public Storage implementation is that it should use SRM or GridFTP protocols to access the Storage Elements provided by the OSG Sites and not put any additional burden on sites. By policy, no new services related to Public Storage can be installed and run on OSG sites. Opportunistic users also have difficulties in accessing the OSG Storage Elements during the execution of jobs. A typical users' data management workflow includes pre-staging common data on sites before a job's execution, then storing for a subsequent download to a local institution the output data produced by a job on a worker node. When the amount of data is significant, the only means to temporarily store the data is to upload it to one of the Storage Elements. In order to do that, a user's job should be aware of the storage location, availability, and free space. After a successful data upload, users must somehow keep track of the data's location for future access. In this presentation we propose solutions for storage management and data handling issues in the OSG. We are investigating the feasibility of using the integrated Rule-Oriented Data System developed at RENCI as a front-end service to the OSG SEs. The current architecture, state of deployment and performance test results will be discussed. We will also provide examples of current usage of the system by beta-users.
C1 [Levshina, T.] Fermilab Natl Accelerator Lab, Div Comp Sci, Batavia, IL 60510 USA.
RP Levshina, T (reprint author), Fermilab Natl Accelerator Lab, Div Comp Sci, Batavia, IL 60510 USA.
EM tlevshin@fnal.gov
NR 8
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 032057
DI 10.1088/1742-6596/513/3/032057
PG 7
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200138
ER
PT S
AU Levshina, T
Sehga, C
Bockelman, B
Weitzel, D
Guru, A
AF Levshina, T.
Sehga, C.
Bockelman, B.
Weitzel, D.
Guru, A.
GP IOP
TI Grid accounting service: state and future development
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB During the last decade, large-scale federated distributed infrastructures have been continually developed and expanded. One of the crucial components of a cyber-infrastructure is an accounting service that collects data related to resource utilization and identity of users using resources. The accounting service is important for verifying pledged resource allocation per particular groups and users, providing reports for funding agencies and resource providers, and understanding hardware provisioning requirements. It can also be used for end-to-end troubleshooting as well as billing purposes. In this work we describe Gratia, a federated accounting service jointly developed at Fermilab and Holland Computing Center at University of Nebraska-Lincoln. The Open Science Grid, Fermilab, HCC, and several other institutions have used Gratia in production for several years. The current development activities include expanding Virtual Machines provisioning information, XSEDE allocation usage accounting, and Campus Grids resource utilization. We also identify the direction of future work: improvement and expansion of Cloud accounting, persistent and elastic storage space allocation, and the incorporation of WAN and LAN network metrics.
C1 [Levshina, T.; Sehga, C.] Fermilab Natl Accelerator Lab, Div Comp Sci, Batavia, IL 60510 USA.
RP Levshina, T (reprint author), Fermilab Natl Accelerator Lab, Div Comp Sci, Batavia, IL 60510 USA.
EM tlevshin@fnal.gov
NR 4
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 2014
VL 513
AR 032056
DI 10.1088/1742-6596/513/3/032056
PG 5
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200137
ER
PT S
AU Lu, Q
Amundson, J
AF Lu, Q.
Amundson, J.
GP IOP
TI Synergia CUDA: GPU-accelerated accelerator modeling package
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB Synergia is a parallel, 3-dimensional space-charge particle-in-cell accelerator modeling code. We present our work porting the purely MPI-based version of the code to a hybrid of CPU and GPU computing kernels. The hybrid code uses the CUDA platform in the same framework as the pure MPI solution. We have implemented a lock-free collaborative charge-deposition algorithm for the GPU, as well as other optimizations, including local communication avoidance for GPUs, a customized FFT, and fine-tuned memory access patterns. On a small GPU cluster (up to 4 Tesla C1070 GPUs), our benchmarks exhibit both superior peak performance and better scaling than a CPU cluster with 16 nodes and 128 cores. We also compare the code performance on different GPU architectures, including C1070 Tesla and K20 Kepler.
C1 [Lu, Q.; Amundson, J.] Fermilab Natl Accelerator Lab, Div Comp Sci, Batavia, IL 60510 USA.
RP Lu, Q (reprint author), Fermilab Natl Accelerator Lab, Div Comp Sci, POB 500, Batavia, IL 60510 USA.
EM qlu@fnal.gov
NR 5
TC 2
Z9 2
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 2014
VL 513
AR 052021
DI 10.1088/1742-6596/513/5/052021
PG 7
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200262
ER
PT S
AU Lyon, AL
Mengel, MW
AF Lyon, Adam L.
Mengel, Marc W.
GP IOP
TI The "last mile" of data handling: Fermilab's IFDH tools
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB IFDH (Intensity Frontier Data Handling), is a suite of tools for data, movement tasks for Fermilab experiments and is an important part of the FIFE12,1 (Fabric for intensity Frontier Ill Experiments) initiative described at this conference. IFDH encompasses moving input data from caches or storage elements to compute nodes (the "last mile" of data movement) and moving output data potentially to those caches as part of the journey back to the user. IFDH also involves throttling and locking to ensure that large numbers of jobs do not cause data movement bottlenecks. IFDH, is realized as an easy to use layer that users call in their.job scripts (e.g. "ifdh cp"), hiding the low level daCt movement took. One adwtntage of this layer is that the underlying low level tools can be selected or changed without the need for the user to alter their scripts. Logging and performance monitoring can also be added easily. This system will be presented in detail as well as its impact on the ease of data handling at Fermilab experiments.
C1 [Lyon, Adam L.; Mengel, Marc W.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Lyon, AL (reprint author), Fermilab Natl Accelerator Lab, POB 500,MS 369, Batavia, IL 60510 USA.
EM lyon@fnal.gov; mengel@fnal.gov
NR 2
TC 3
Z9 3
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 032068
DI 10.1088/1742-6596/513/3/032068
PG 5
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200149
ER
PT S
AU Maeno, T
De, K
Klimentov, A
Nilsson, P
Oleynik, D
Panitkin, S
Petrosyan, A
Schovancova, J
Vaniachine, A
Wenaus, T
Yu, D
AF Maeno, T.
De, K.
Klimentov, A.
Nilsson, P.
Oleynik, D.
Panitkin, S.
Petrosyan, A.
Schovancova, J.
Vaniachine, A.
Wenaus, T.
Yu, D.
CA ATLAS Collaboration
GP IOP
TI Evolution of the ATLAS PanDA workload management system for exascale
computational science
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB An important foundation underlying the impressive success of data processing and analysis in the ATLAS experiment [1] at the LHC [2] is the Production and Distributed Analysis (PanDA) workload management system [3]. PanDA was designed specifically for ATLAS and proved to be highly successful in meeting all the distributed computing needs of the experiment. However, the core design of PanDA is not experiment specific. The PanDA workload management system is capable of meeting the needs of other data intensive scientific applications. Alpha-Magnetic Spectrometer [4], an astro-particle experiment on the International Space Station, and the Compact Muon Solenoid [5], an LHC experiment, have successfully evaluated PanDA and are pursuing its adoption. In this paper, a description of the new program of work to develop a generic version of PanDA will be given, as well as the progress in extending PanDA's capabilities to support supercomputers and clouds and to leverage intelligent networking. PanDA has demonstrated at a very large scale the value of automated dynamic brokering of diverse workloads across distributed computing resources. The next generation of PanDA will allow other data-intensive sciences and a wider exascale community employing a variety of computing platforms to benefit from ATLAS' experience and proven tools.
C1 [Maeno, T.; Klimentov, A.; Panitkin, S.; Schovancova, J.; Wenaus, T.; Yu, D.] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Maeno, T (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM tmaeno@bnl.gov
NR 11
TC 8
Z9 8
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 2014
VL 513
AR 032062
DI 10.1088/1742-6596/513/3/032062
PG 6
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200143
ER
PT S
AU Marshall, Z
AF Marshall, Zachary
CA ATLAS Collaboration
GP IOP
TI Simulation of Pile-up in the ATLAS Experiment
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB The high luminosity of the LHC results in a significant background to interesting physics events known as pile-up. ATLAS has adopted two independent methods for modeling pile-up and its effect on analyses. The first is a bottom-up approach, using a detailed simulation of the detector to recreate each component of the pile-up background. The second uses specially recorded data events to emulate it. This article reports on the experience using both of these methods, including performance considerations, for simulating pile-up in ATLAS.
C1 [Marshall, Zachary] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Marshall, Z (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, MS50B-6227,1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM zach.marshall@cern.ch
NR 8
TC 1
Z9 1
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 022024
DI 10.1088/1742-6596/513/2/022024
PG 6
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200066
ER
PT S
AU Mhashilkar, P
Tiradani, A
Holzman, B
Larson, K
Sfiligoi, I
Rynge, M
AF Mhashilkar, Parag
Tiradani, Anthony
Holzman, Burt
Larson, Krista
Sfiligoi, Igor
Rynge, Mats
GP IOP
TI Cloud Bursting with GlideinWMS: Means to satisfy ever increasing
computing needs for Scientific Workflows
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB Scientific communities have been in the forefront of adopting new technologies and methodologies in the computing. Scientific computing has influenced how science is done today, achieving breakthroughs that were impossible to achieve several decades ago. For the past decade several such communities in the Open Science Grid (OSG) and the European Grid Infrastructure (EGI) have been using GlideinWMS to run complex application workflows to effectively share computational resources over the grid. GlideinWMS is a pilot-based workload management system (WMS) that creates on demand, a dynamically sized overlay HTCondor batch system on grid resources. At present, the computational resources shared over the grid are just adequate to sustain the computing needs. We envision that the complexity of the science driven by "Big Data" will further push the need for computational resources. To fulfill their increasing demands and/or to run specialized workflows, some of the big communities like CMS are investigating the use of cloud computing as Infrastructure-As-A-Service (IAAS) with GlideinWMS as a potential alternative to fill the void. Similarly, communities with no previous access to computing resources can use GlideinWMS to setup up a batch system on the cloud infrastructure. To enable this, the architecture of GlideinWMS has been extended to enable support for interfacing GlideinWMS with different Scientific and commercial cloud providers like HLT, FutureGrid, FermiCloud and Amazon EC2. In this paper, we describe a solution for cloud bursting with GlideinWMS. The paper describes the approach, architectural changes and lessons learned while enabling support for cloud infrastructures in GlideinWMS.
C1 [Mhashilkar, Parag; Tiradani, Anthony; Holzman, Burt; Larson, Krista] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Mhashilkar, P (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
EM parag@fnal.gov; tiradani@fnal.gov; burt@fnal.gov; klarson1@fnal.gov;
isfiligoi@ucsd.edu; rynge@isi.edu
OI Holzman, Burt/0000-0001-5235-6314
NR 11
TC 2
Z9 2
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 032069
DI 10.1088/1742-6596/513/3/032069
PG 7
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200150
ER
PT S
AU Niner, E
Adamson, P
Deuerling, G
Kwarciany, R
Meyer, H
Norman, A
Rechenmacher, R
Shanahan, P
Wilcer, N
AF Niner, E.
Adamson, P.
Deuerling, G.
Kwarciany, R.
Meyer, H.
Norman, A.
Rechenmacher, R.
Shanahan, P.
Wilcer, N.
GP IOP
TI Synchronization of the 14 kTon NO upsilon A neutrino detector with the
Fermilab NuMI beam
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB The NOvA experiment is a neutrino oscillation experiment designed to measure parameters related to the neutrino mixing matrix, mass hierarchy and CP violation. The experiment measures neutrino and anti-neutrino interactions from the NuMI beam line at Fermilab in a Near Detector and a Far Detector located 810 kilometers away. Making these measurements requires precise synchronization of 344,064 channels in the Far Detector to an absolute wall time with a channel to channel variation of less then 10 ns. The experiment must correlate the presence of the relatively narrow neutrino beam in the detector with data readout. This paper will discuss the performance of the NOvA timing system during the first few months of operation at the Far Detector.
C1 [Niner, E.] Indiana Univ, Dept Phys, 727 E Third St, Bloomington, IN 47405 USA.
[Adamson, P.; Deuerling, G.; Kwarciany, R.; Norman, A.; Rechenmacher, R.; Shanahan, P.; Wilcer, N.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
[Meyer, H.] Wichita State Univ, Wichita, KS 67260 USA.
RP Niner, E (reprint author), Indiana Univ, Dept Phys, 727 E Third St, Bloomington, IN 47405 USA.
EM eniner@indiana.edu
NR 3
TC 2
Z9 2
U1 0
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR UNSP 012028
DI 10.1088/1742-6596/513/1/012028
PG 7
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200028
ER
PT S
AU Osborne, I
Brownson, E
Eulisse, G
Jones, CD
Lange, DJ
Sexton-Kennedy, E
AF Osborne, I.
Brownson, E.
Eulisse, G.
Jones, C. D.
Lange, D. J.
Sexton-Kennedy, E.
GP IOP
TI CMS Geometry Through 2020
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB CMS faces real challenges with upgrade of the CMS detector through 2020 and beyond. One of the challenges, from the software point of view, is managing upgrade simulations with the same software release as the 2013 scenario. We present the CMS geometry description software model, its integration with the CMS event setup and core software. The CMS geometry configuration and selection is implemented in Python. The tools collect the Python configuration fragments into a script used in CMS workflow. This flexible and automated geometry configuration allows choosing either transient or persistent version of the same scenario and specific version of the same scenario. We describe how the geometries are integrated and validated, and how we define and handle different geometry scenarios in simulation and reconstruction. We discuss how to transparently manage multiple incompatible geometries in the same software release. Several examples are shown based on current implementation assuring consistent choice of scenario conditions. The consequences and implications for multiple/different code algorithms are discussed.
C1 [Osborne, I.; Eulisse, G.; Jones, C. D.; Sexton-Kennedy, E.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Osborne, I (reprint author), Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
EM ianna.osborne@cern.ch
NR 3
TC 0
Z9 0
U1 0
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 022026
DI 10.1088/1742-6596/513/2/022026
PG 5
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200068
ER
PT S
AU Panitkin, S
Megino, FB
Bejar, JC
Benjamin, D
Di Girolamo, A
Gable, I
Hendrix, V
Hover, J
Kucharczyk, K
Llamas, RM
Love, P
Ohman, H
Paterson, M
Sobie, R
Taylor, R
Walker, R
Zaytsev, A
AF Panitkin, Sergey
Megino, Fernando Barreiro
Bejar, Jose Caballero
Benjamin, Doug
Di Girolamo, Alessandro
Gable, Ian
Hendrix, Val
Hover, John
Kucharczyk, Katarzyna
Llamas, Ramon Medrano
Love, Peter
Ohman, Henrik
Paterson, Michael
Sobie, Randall
Taylor, Ryan
Walker, Rodney
Zaytsev, Alexander
CA ATLAS Collaboration
GP IOP
TI ATLAS Cloud R&D
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB The computing model of the ATLAS experiment was designed around the concept of grid computing and, since the start of data taking, this model has proven very successful. However, new cloud computing technologies bring attractive features to improve the operations and elasticity of scientific distributed computing. ATLAS sees grid and cloud computing as complementary technologies that will coexist at different levels of resource abstraction, and two years ago created an R&D working group to investigate the different integration scenarios. The ATLAS Cloud Computing R&D has been able to demonstrate the feasibility of offloading work from grid to cloud sites and, as of today, is able to integrate transparently various cloud resources into the PanDA workload management system. The ATLAS Cloud Computing R&D is operating various PanDA queues on private and public resources and has provided several hundred thousand CPU days to the experiment. As a result, the ATLAS Cloud Computing R&D group has gained a significant insight into the cloud computing landscape and has identified points that still need to be addressed in order to fully utilize this technology.
This contribution will explain the cloud integration models that are being evaluated and will discuss ATLAS' learning during the collaboration with leading commercial and academic cloud providers.
C1 [Panitkin, Sergey; Bejar, Jose Caballero; Hover, John; Zaytsev, Alexander] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Panitkin, S (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
NR 11
TC 3
Z9 3
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 062037
DI 10.1088/1742-6596/513/6/062037
PG 5
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200316
ER
PT S
AU Paterno, M
Kowalkowski, J
Green, C
AF Paterno, M.
Kowalkowski, J.
Green, C.
GP IOP
TI Improving robustness and computational efficiency using modern C plus
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB For nearly two decades, the C++ programming language has been the dominant programming language for experimental HEP. The publication of ISO/IEC 14882:2011, the current version of the international standard for the C++ programming language, makes available a variety of language and library facilities for improving the robustness, expressiveness, and computational efficiency of C++ code. However, much of the C++ written by the experimental HEP community does not take advantage of the features of the language to obtain these benefits, either due to lack of familiarity with these features or concern that these features must somehow be computationally inefficient.
In this paper, we address some of the features of modern C++, and show how they can be used to make programs that are both robust and computationally efficient. We compare and contrast simple yet realistic examples of some common implementation patterns in C, currently-typical C++, and modern C++, and show (when necessary, down to the level of generated assembly language code) the quality of the executable code produced by recent C++ compilers, with the aim of allowing the HEP community to make informed decisions on the costs and benefits of the use of modern C++.
C1 [Paterno, M.; Kowalkowski, J.; Green, C.] Fermilab Natl Accelerator Lab, Div Comp Sci, Batavia, IL 60510 USA.
RP Paterno, M (reprint author), Fermilab Natl Accelerator Lab, Div Comp Sci, POB 500, Batavia, IL 60510 USA.
EM paterno@fnal.gov; jbk@fnal.gov; greenc@fnal.gov
NR 2
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 052026
DI 10.1088/1742-6596/513/5/052026
PG 7
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200267
ER
PT S
AU Ratnikova, N
Huang, CH
Sanchez-Hernandez, A
Wildish, T
Zhang, X
AF Ratnikova, N.
Huang, C-H
Sanchez-Hernandez, A.
Wildish, T.
Zhang, X.
GP IOP
TI CMS Space Monitoring
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB During the first LHC run, CMS stored about one hundred petabytes of data. Storage accounting and monitoring help to meet the challenges of storage management, such as efficient space utilization, fair share between users and groups and resource planning. We present a newly developed CMS space monitoring system based on the storage metadata dumps produced at the sites. The information extracted from the storage dumps is aggregated and uploaded to a central database. A web based data service is provided to retrieve the information for a given time interval and a range of sites, so it can be further aggregated and presented in the desired format. The system has been designed based on the analysis of CMS monitoring requirements and experiences of the other LHC experiments. In this paper, we demonstrate how the existing software components of the CMS data placement system, PhEDEx, have been re-used, dramatically reducing the development effort.
C1 [Ratnikova, N.; Huang, C-H] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Ratnikova, N (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
EM natasha@fnal.gov
NR 8
TC 1
Z9 1
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 042036
DI 10.1088/1742-6596/513/4/042036
PG 6
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200224
ER
PT S
AU Schovancova, J
Campana, S
Di Girolamo, A
Jezequel, S
Ueda, I
Wenaus, T
AF Schovancova, J.
Campana, S.
Di Girolamo, A.
Jezequel, S.
Ueda, I.
Wenaus, T.
CA ATLAS Collaboration
GP IOP
TI ATLAS Distributed Computing Monitoring tools during the LHC Run I
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB This contribution summarizes evolution of the ATLAS Distributed Computing (ADC) Monitoring project during the LHC Run I. The ADC Monitoring targets at the three groups of customers: ADC Operations team to early identify malfunctions and escalate issues to an activity or a service expert, ATLAS national contacts and sites for the real-time monitoring and long-term measurement of the performance of the provided computing resources, and the ATLAS Management for long-term trends and accounting information about the ATLAS Distributed Computing resources. During the LHC Run I a significant development effort has been invested in standardization of the monitoring and accounting applications in order to provide extensive monitoring and accounting suite. ADC Monitoring applications separate the data layer and the visualization layer. The data layer exposes data in a predefined format. The visualization layer is designed bearing in mind visual identity of the provided graphical elements, and re-usability of the visualization bits across the different tools. A rich family of various filtering and searching options enhancing available user interfaces comes naturally with the data and visualization layer separation. With a variety of reliable monitoring data accessible through standardized interfaces, the possibility of automating actions under well defined conditions correlating multiple data sources has become feasible. In this contribution we discuss also about the automated exclusion of degraded resources and their automated recovery in various activities.
C1 [Schovancova, J.; Wenaus, T.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
RP Schovancova, J (reprint author), Brookhaven Natl Lab, Dept Phys, Bldg 510A, Upton, NY 11973 USA.
EM jschovan@bnl.gov
NR 17
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 032084
DI 10.1088/1742-6596/513/3/032084
PG 4
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200165
ER
PT S
AU Timm, S
Chadwick, K
Garzoglio, G
Noh, S
AF Timm, S.
Chadwick, K.
Garzoglio, G.
Noh, S.
GP IOP
TI Grids, virtualization, and clouds at Fermilab
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB Fermi lab supports a scientific program that includes experiments and scientists located across the globe. To better serve this community, in 2004, the (then) Computing Division undertook the strategy of placing all of the High Throughput Computing (HTC) resources in a Campus Grid known as Fermi Grid, supported by common shared services. In 2007, the Fermi Grid Services group deployed a service infrastructure that utilized Xen virtualization, LVS network routing and MySQL circular replication to deliver highly available services that offered significant performance, reliability and serviceability improvements. This deployment was further enhanced through the deployment of a distributed redundant network core architecture and the physical distribution of the systems that host the virtual machines across multiple buildings on the Fermi lab Campus In 2010, building on the experience pioneered by Fermi Grid in delivering production services in a virtual infrastructure, the Computing Sector commissioned the Fermi Cloud, General Physics Computing Facility and Virtual Services projects to serve as platforms for support of scientific computing (Fermi Cloud & GPCF) and core computing (Virtual Services). This work will present the evolution of the Fermi lab Campus Grid, Virtualization and Cloud Computing infrastructure together with plans for the future.
C1 [Timm, S.; Chadwick, K.; Garzoglio, G.] Fermilab Natl Accelerator Lab, Div Comp Sci, Batavia, IL 60510 USA.
RP Garzoglio, G (reprint author), Fermilab Natl Accelerator Lab, Div Comp Sci, Batavia, IL 60510 USA.
EM timm@fnal.gov; chadwick@fnal.gov; garzoglio@fnal.gov;
rsyoung@kisti.re.kr
NR 10
TC 1
Z9 1
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 2014
VL 513
AR 032037
DI 10.1088/1742-6596/513/3/032037
PG 7
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200118
ER
PT S
AU Uram, TD
LeCompte, TJ
Benjamin, D
AF Uram, Thomas D.
LeCompte, Thomas J.
Benjamin, D.
GP IOP
TI ATLAS Experience with HEP Software at the Argonne Leadership Computing
Facility
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB A number of HEP software packages used by the ATLAS experiment, including GEANT4, ROOT and ALPGEN, have been adapted to run on the IBM Blue Gene supercomputers at the Argonne Leadership Computing Facility. These computers use a non-x86 architecture and have a considerably less rich operating environment than in common use in HEP, but also represent a computing capacity an order of magnitude beyond what ATLAS is presently using via the LCG. The status and potential for making use of leadership-class computing, including the status of integration with the ATLAS production system, is discussed.
C1 [Uram, Thomas D.; LeCompte, Thomas J.] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Uram, TD (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM turam@anl.gov; lecompte@anl.gov; benjamin@phy.duke.edu
NR 5
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 052019
DI 10.1088/1742-6596/513/5/052019
PG 5
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200260
ER
PT S
AU van Gemmeren, P
Malon, D
Nowak, M
AF van Gemmeren, P.
Malon, D.
Nowak, M.
CA ATLAS Collaboratio
GP IOP
TI Next-Generation Navigational Infrastructure and the ATLAS Event Store
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB The ATLAS event store employs a persistence framework with extensive navigational capabilities. These include real-time back navigation to upstream processing stages, externalizable data object references, navigation from any data object to any other both within a single file and across files, and more. The 2013-2014 shutdown of the Large Hadron Collider provides an opportunity to enhance this infrastructure in several ways that both extend these capabilities and allow the collaboration to better exploit emerging computing platforms. Enhancements include redesign with efficient file merging in mind, content-based indices in optimized reference types, and support for forward references. The latter provide the potential to construct valid references to data before those data are written, a capability that is useful in a variety of multithreading, multiprocessing, distributed processing, and deferred processing scenarios. This paper describes the architecture and design of the next generation of ATLAS navigational infrastructure.
C1 [van Gemmeren, P.; Malon, D.] Argonne Natl Lab, Argonne, IL 60439 USA.
RP van Gemmeren, P (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM gemmeren@anl.gov
NR 7
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 052036
DI 10.1088/1742-6596/513/5/052036
PG 5
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200277
ER
PT S
AU Vaniachine, A
Golubkov, D
Karpenko, D
AF Vaniachine, A.
Golubkov, D.
Karpenko, D.
CA ATLAS Collaboration
GP IOP
TI Reliability Engineering Analysis of ATLAS Data Reprocessing Campaigns
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB During three years of LHC data taking, the ATLAS collaboration completed three petascale data reprocessing campaigns on the Grid, with up to 2 PB of data being reprocessed every year. In reprocessing on the Grid, failures can occur for a variety of reasons, while Grid heterogeneity makes failures hard to diagnose and repair quickly. As a result, Big Data processing on the Grid must tolerate a continuous stream of failures, errors and faults. While ATLAS fault-tolerance mechanisms improve the reliability of Big Data processing in the Grid, their benefits come at costs and result in delays making the performance prediction difficult. Reliability Engineering provides a framework for fundamental understanding of the Big Data processing on the Grid, which is not a desirable enhancement but a necessary requirement. In ATLAS, cost monitoring and performance prediction became critical for the success of the reprocessing campaigns conducted in preparation for the major physics conferences. In addition, our Reliability Engineering approach supported continuous improvements in data reprocessing throughput during LHC data taking. The throughput doubled in 2011 vs. 2010 reprocessing, then quadrupled in 2012 vs. 2011 reprocessing. We present the Reliability Engineering analysis of ATLAS data reprocessing campaigns providing the foundation needed to scale up the Big Data processing technologies beyond the petascale.
C1 [Vaniachine, A.] Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA.
RP Vaniachine, A (reprint author), Argonne Natl Lab, Div High Energy Phys, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM vanachine@anl.gov
NR 8
TC 0
Z9 0
U1 0
U2 1
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 032101
DI 10.1088/1742-6596/513/3/032101
PG 7
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200182
ER
PT S
AU Webb, J
Novak, J
Lauret, J
Perevoztchikov, V
AF Webb, J.
Novak, J.
Lauret, J.
Perevoztchikov, V.
GP IOP
TI The STAR "plug and play" event generator framework
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB The STAR experiment pursues a broad range of physics topics in pp, pA and AA collisions produced by the Relativistic Heavy Ion Collider (RHIC). Such a diverse experimental program demands a simulation framework capable of supporting an equally diverse set of event generators, and a flexible event record capable of storing the (common) particle-wise and (varied) event-wise information provided by the external generators. With planning underway for the next round of upgrades to exploit ep and eA collisions from the electron-ion collider (or eRHIC), these demands on the simulation infrastructure will only increase and requires a versatile framework. STAR has developed a new event-generator framework based on the best practices in the community (a survey of existing approach had been made and the "best of all worlds" kept in mind in our design). It provides a common set of base classes which establish the interface between event generators and the simulation and handles most of the bookkeeping associated with a simulation run. This streamlines the process of integrating and configuring an event generator within our software chain. Developers implement two classes: the interface for their event generator, and their event record. They only need to loop over all particles in their event and push them out into the event record. The framework is responsible for vertex assignment, stacking the particles out for simulation, and event persistency. Events from multiple generators can be merged together seamlessly, with an event record which is capable of tracing each particle back to its parent generator. We present our work and approach in detail and illustrate its usefulness by providing examples of event generators implemented within the STAR framework covering for very diverse physics topics. We will also discuss support for event filtering, allowing users to prune the event record of particles which are outside of our acceptance, and/or abort events prior to the more computationally expensive digitization and reconstruction phases. Event filtering has been supported in the previous framework and showed to save enormous amount of resources -the approach within the new framework is a generalization of filtering.
C1 [Webb, J.; Lauret, J.; Perevoztchikov, V.] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Novak, J.] Michigan State Univ, Michigan, CA USA.
RP Webb, J (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM jwebb@bnl.gov
NR 11
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR UNSP 022037
DI 10.1088/1742-6596/513/2/022037
PG 5
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200079
ER
PT S
AU Webb, J
Lauret, J
Perevoztchikov, V
AF Webb, Jason
Lauret, Jerome
Perevoztchikov, Victor
GP IOP
TI The abstract geometry modeling language (AgML): experience and road map
toward eRHIC
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB The STAR experiment has adopted an Abstract Geometry Modeling Language (AgML) as the primary description of our geometry model. AgML establishes a level of abstraction, decoupling the definition of the detector from the software libraries used to create the concrete geometry model. Thus, AgML allows us to support both our legacy GEANT 3 simulation application and our ROOT/TGeo based reconstruction software from a single source, which is demonstrably self-consistent. While AgML was developed primarily as a tool to migrate away from our legacy FORTRAN-era geometry codes, it also provides a rich syntax geared towards the rapid development of detector models. AgML has been successfully employed by users to quickly develop and integrate the descriptions of several new detectors in the RHIC/STAR experiment including the Forward GEM Tracker (FGT) and Heavy Flavor Tracker (HFT) upgrades installed in STAR for the 2012 and 2013 runs. AgML has furthermore been heavily utilized to study future upgrades to the STAR detector as it prepares for the eRHIC era.
With its track record of practical use in a live experiment in mind, we present the status, lessons learned and future of the AgML language as well as our experience in bringing the code into our production and development environments. We will discuss the path toward eRHIC and pushing the current model to accommodate for detector miss-alignment and high precision physics.
C1 [Webb, Jason; Lauret, Jerome; Perevoztchikov, Victor] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Webb, J (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM jwebb@bnl.gov
NR 7
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR 022036
DI 10.1088/1742-6596/513/2/022036
PG 5
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200078
ER
PT S
AU Weitzel, D
Sfiligoi, I
Bockelman, B
Frey, J
Wuerthwein, F
Fraser, D
Swanson, D
AF Weitzel, D.
Sfiligoi, I.
Bockelman, B.
Frey, J.
Wuerthwein, F.
Fraser, D.
Swanson, D.
GP IOP
TI Accessing opportunistic resources with Bosco
SO 20TH INTERNATIONAL CONFERENCE ON COMPUTING IN HIGH ENERGY AND NUCLEAR
PHYSICS (CHEP2013), PARTS 1-6
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 20th International Conference on Computing in High Energy and Nuclear
Physics (CHEP)
CY OCT 14-18, 2013
CL Amsterdam, NETHERLANDS
AB Bosco is a software project developed by the Open Science Grid to help scientists better utilize their on-campus computing resources. Instead of submitting jobs through a dedicated gatekeeper, as most remote submission mechanisms use, it uses the built-in SSII protocol to gain access to the cluster. By using a common access method, SSII, we are able to simplify the interaction with the cluster, making the submission process more user friendly. Additionally, it does not add any extra software to be installed on the cluster making Bosco an attractive option for the cluster administrator. In this paper, we will describe Bosco, the personal supercomputing assistant, and how Bosco is used by researchers across the U.S. to manage their computing workflows. In addition, we will also talk about how researchers are using it, including an unique use of Bosco to submit CMS reconstruction jobs to an opportunistic XSEDE resource.
C1 [Weitzel, D.; Bockelman, B.; Swanson, D.] Univ Nebraska, Lincoln Holland Comp Ctr, 1101 T St, Lincoln, NE 68588 USA.
[Sfiligoi, I.; Wuerthwein, F.] Univ Calif San Diego, San Diego, CA 92093 USA.
[Frey, J.] Univ Wisconsin, Madison, WI USA.
[Fraser, D.] Argonne Natl Lab, Argonne, IL 60439 USA.
RP Weitzel, D (reprint author), Univ Nebraska, Lincoln Holland Comp Ctr, 1101 T St, Lincoln, NE 68588 USA.
EM dweitzel@cse.unl.edu
FU National Science Foundation; U.S.Department of Energy's Office of
Science
FX This research was done using resources provided by the Open Science
Grid,which is supported by the National Science Foundation and the
U.S.Department of Energy's Office of Science.
NR 14
TC 4
Z9 4
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2014
VL 513
AR UNSP 032105
DI 10.1088/1742-6596/513/3/032105
PG 5
WC Physics, Nuclear; Physics, Particles & Fields
SC Physics
GA BB2TA
UT WOS:000342287200186
ER
PT S
AU Bonechi, L
Adriani, O
Berti, E
Bongi, M
Castellini, G
D'Alessandro, R
Del Prete, M
Haguenauer, M
Itow, Y
Kasahara, K
Makino, Y
Masuda, K
Matsubayashi, E
Menjo, H
Mitsuka, G
Muraki, Y
Papini, P
Perrot, AL
Ricciarini, S
Sako, T
Sakurai, N
Shimizu, Y
Suzuki, T
Tamura, T
Tiberio, A
Torii, S
Tricomi, A
Turner, WC
AF Bonechi, L.
Adriani, O.
Berti, E.
Bongi, M.
Castellini, G.
D'Alessandro, R.
Del Prete, M.
Haguenauer, M.
Itow, Y.
Kasahara, K.
Makino, Y.
Masuda, K.
Matsubayashi, E.
Menjo, H.
Mitsuka, G.
Muraki, Y.
Papini, P.
Perrot, A-L.
Ricciarini, S.
Sako, T.
Sakurai, N.
Shimizu, Y.
Suzuki, T.
Tamura, T.
Tiberio, A.
Torii, S.
Tricomi, A.
Turner, W. C.
BE Bravina, L
Foka, Y
Kabana, S
TI Forward physics with the LHCf experiment: a LHC contribution to
cosmic-ray physics
SO 2ND INTERNATIONAL CONFERENCE ON NEW FRONTIERS IN PHYSICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 2nd International Conference on New Frontiers in Physics
CY AUG 28-SEP 05, 2013
CL Kolymbari, GREECE
SP European Org Nucl Res, European Phys Soc, Univ Oslo, GSI, Helmholtzzentrum Schwerionenforschung, Univ Nantes, Subatech, Warsaw Univ Technol, Univ Crete, Orthodox Acad Crete, Forskningsradet
ID PROTON-PROTON COLLISIONS; PHOTON ENERGY-SPECTRA
AB LHCf is a small detector installed at LHC accelerator to measure neutral particle flow in the forward direction of proton - proton (p - p) and proton - nucleus (p - A) interactions. Thanks to the optimal performance that has characterized the last years' running of the LHC collider, several measurements have been taken since 2009 in different running conditions. After data taking for p - p interactions at root s = 900 GeV, 2.76 TeV and 7 TeV and proton - Lead nucleus (p - Pb) at root s(NN) = 5.02 TeV (energy of a couple of projectile and target nucleons in their center of mass reference frame), LHCf is now going to complete its physics program with the 13 TeV p - p run foreseen in 2015. The complete set of results will become a reference data set of forward physics for the calibration and tuning of the hadronic interaction models currently used for the simulation of the atmospheric showers induced by very high energy cosmic rays. For this reason we think that LHCf is giving an important contribution for the study of cosmic rays at the highest energies. In this paper the experiment, the published results and the current status are reviewed.
C1 [Bonechi, L.; Adriani, O.; Bongi, M.; D'Alessandro, R.; Del Prete, M.; Papini, P.; Ricciarini, S.] Ist Nazl Fis Nucl, Sect Florence, Milan, Italy.
[Adriani, O.; Berti, E.; Bongi, M.; D'Alessandro, R.; Del Prete, M.; Mitsuka, G.; Tiberio, A.; Tricomi, A.] Univ Florence, I-50121 Florence, Italy.
[Castellini, G.; Ricciarini, S.; Turner, W. C.] CNR, IFAC, I-00185 Rome, Italy.
[Haguenauer, M.] Ecole Polytech, F-91128 Palaiseau, France.
[Itow, Y.; Makino, Y.; Masuda, K.; Matsubayashi, E.; Mitsuka, G.; Muraki, Y.] Nagoya Univ, Solar Terr Environm Lab, Nagoya, Aichi 4648601, Japan.
[Kasahara, K.; Shimizu, Y.; Suzuki, T.; Torii, S.] Waseda Univ, RISE, Tokyo, Japan.
[Menjo, H.] Nagoya Univ, Grad Sch Sci, Nagoya, Aichi 4648601, Japan.
[Perrot, A-L.] CERN, CH-1211 Geneva 23, Switzerland.
[Tamura, T.] Kanagawa Univ, Kanagawa, Japan.
[Tricomi, A.] INFN Sect Catania, Catania, Italy.
[Tricomi, A.] Catania Univ, Catania, Italy.
[Turner, W. C.] LBNL, Berkeley, CA USA.
RP Bonechi, L (reprint author), Ist Nazl Fis Nucl, Sect Florence, Milan, Italy.
EM Lorenzo.Bonechi@fi.infn.it
RI Bongi, Massimo/L-9417-2015;
OI Ricciarini, Sergio Bruno/0000-0001-6176-3368; Bongi,
Massimo/0000-0002-6050-1937; Castellini, Guido/0000-0002-0177-0643;
Tricomi, Alessia Rita/0000-0002-5071-5501; Papini,
Paolo/0000-0003-4718-2895
NR 12
TC 1
Z9 1
U1 1
U2 5
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2014
VL 71
AR UNSP 00019
DI 10.1051/epjconf/20147100019
PG 10
WC Astronomy & Astrophysics; Physics, Multidisciplinary; Physics, Particles
& Fields
SC Astronomy & Astrophysics; Physics
GA BB2UQ
UT WOS:000342375000019
ER
PT S
AU Cecire, K
Bardeen, M
McCauley, T
AF Cecire, Kenneth
Bardeen, Marjorie
McCauley, Thomas
BE Bravina, L
Foka, Y
Kabana, S
TI The CMS Masterclass and Particle Physics Outreach
SO 2ND INTERNATIONAL CONFERENCE ON NEW FRONTIERS IN PHYSICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 2nd International Conference on New Frontiers in Physics
CY AUG 28-SEP 05, 2013
CL Kolymbari, GREECE
SP European Org Nucl Res, European Phys Soc, Univ Oslo, GSI, Helmholtzzentrum Schwerionenforschung, Univ Nantes, Subatech, Warsaw Univ Technol, Univ Crete, Orthodox Acad Crete, Forskningsradet
AB The CMS Masterclass enables high school students to analyse authentic CMS data. Students can draw conclusions on key ratios and particle masses by combining their analyses. In particular, they can use the ratio of W+ to W- candidates to probe the structure of the proton, they can find the mass of the Z boson, and they can identify additional particles including, tentatively, the Higgs boson. In the United States, masterclasses are part of QuarkNet, a long-term program that enables students and teachers to use cosmic ray and particle physics data for learning with an emphasis on data from CMS.
C1 [Cecire, Kenneth; McCauley, Thomas] Univ Notre Dame, Dept Phys, 225 Nieuwland Sci Hall, Notre Dame, IN 46556 USA.
[Bardeen, Marjorie] Fermilab Natl Accelerator Lab, Educ Off, Batavia, IL 60510 USA.
RP Cecire, K (reprint author), Univ Notre Dame, Dept Phys, 225 Nieuwland Sci Hall, Notre Dame, IN 46556 USA.
EM kecire@nd.edu
NR 3
TC 1
Z9 1
U1 1
U2 1
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2014
VL 71
AR UNSP 00027
DI 10.1051/epjconf/20147100027
PG 10
WC Astronomy & Astrophysics; Physics, Multidisciplinary; Physics, Particles
& Fields
SC Astronomy & Astrophysics; Physics
GA BB2UQ
UT WOS:000342375000027
ER
PT S
AU Huang, BC
AF Huang, Bingchu
CA STAR Collaboration
BE Bravina, L
Foka, Y
Kabana, S
TI An Overview of Recent Results from STAR
SO 2ND INTERNATIONAL CONFERENCE ON NEW FRONTIERS IN PHYSICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 2nd International Conference on New Frontiers in Physics
CY AUG 28-SEP 05, 2013
CL Kolymbari, GREECE
SP European Org Nucl Res, European Phys Soc, Univ Oslo, GSI, Helmholtzzentrum Schwerionenforschung, Univ Nantes, Subatech, Warsaw Univ Technol, Univ Crete, Orthodox Acad Crete, Forskningsradet
ID QUARK-GLUON PLASMA; ENERGY NUCLEAR COLLISIONS; AU COLLISIONS
AB The STAR experiment at the Relativistic Heavy Ion Collider has collected wealthy data in multiple collision systems at different beam energies. We present an overview of recent results from STAR. Results of anisotropic flows, heavy flavors and dileptons are reported.
C1 [Huang, Bingchu] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Huang, BC (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM huangbc@bnl.gov
NR 28
TC 0
Z9 0
U1 0
U2 4
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2014
VL 71
AR 00055
DI 10.1051/epjconf/20147100055
PG 11
WC Astronomy & Astrophysics; Physics, Multidisciplinary; Physics, Particles
& Fields
SC Astronomy & Astrophysics; Physics
GA BB2UQ
UT WOS:000342375000055
ER
PT S
AU Luccio, AU
AF Luccio, Alfredo U.
BE Bravina, L
Foka, Y
Kabana, S
TI Undulator Spin Polarimetry for the "precursor" storage ring eEDM
experiment
SO 2ND INTERNATIONAL CONFERENCE ON NEW FRONTIERS IN PHYSICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 2nd International Conference on New Frontiers in Physics
CY AUG 28-SEP 05, 2013
CL Kolymbari, GREECE
SP European Org Nucl Res, European Phys Soc, Univ Oslo, GSI, Helmholtzzentrum Schwerionenforschung, Univ Nantes, Subatech, Warsaw Univ Technol, Univ Crete, Orthodox Acad Crete, Forskningsradet
AB In a precursor eEDM experiment to the proton EDM, spin polarimetry based on undulator radiation is proposed.
C1 Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Luccio, AU (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM luccio@bnl.gov
NR 8
TC 0
Z9 0
U1 0
U2 0
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2014
VL 71
AR 00078
DI 10.1051/epjconf/20147100078
PG 6
WC Astronomy & Astrophysics; Physics, Multidisciplinary; Physics, Particles
& Fields
SC Astronomy & Astrophysics; Physics
GA BB2UQ
UT WOS:000342375000078
ER
PT S
AU Luccio, AU
AF Luccio, Alfredo U.
BE Bravina, L
Foka, Y
Kabana, S
TI Leapfrog tracking for the storage ring pEDM project
SO 2ND INTERNATIONAL CONFERENCE ON NEW FRONTIERS IN PHYSICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 2nd International Conference on New Frontiers in Physics
CY AUG 28-SEP 05, 2013
CL Kolymbari, GREECE
SP European Org Nucl Res, European Phys Soc, Univ Oslo, GSI, Helmholtzzentrum Schwerionenforschung, Univ Nantes, Subatech, Warsaw Univ Technol, Univ Crete, Orthodox Acad Crete, Forskningsradet
AB We are planning an experiment to measure the Electric Dipole Moment of the proton with the sensitivity of 10(-29)e . cm using an electrostatic storage ring. In this paper we describe a tracking simulation for the project based on the Leapfrog algorithm.
C1 Brookhaven Natl Lab, Upton, NY 11973 USA.
RP Luccio, AU (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM luccio@bnl.gov
NR 7
TC 0
Z9 0
U1 0
U2 1
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2014
VL 71
AR 00077
DI 10.1051/epjconf/20147100077
PG 10
WC Astronomy & Astrophysics; Physics, Multidisciplinary; Physics, Particles
& Fields
SC Astronomy & Astrophysics; Physics
GA BB2UQ
UT WOS:000342375000077
ER
PT S
AU Wong, CY
AF Wong, Cheuk-Yin
BE Bravina, L
Foka, Y
Kabana, S
TI Foundation of Hydrodynamics of Strongly Interacting Systems
SO 2ND INTERNATIONAL CONFERENCE ON NEW FRONTIERS IN PHYSICS
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT 2nd International Conference on New Frontiers in Physics
CY AUG 28-SEP 05, 2013
CL Kolymbari, GREECE
SP European Org Nucl Res, European Phys Soc, Univ Oslo, GSI, Helmholtzzentrum Schwerionenforschung, Univ Nantes, Subatech, Warsaw Univ Technol, Univ Crete, Orthodox Acad Crete, Forskningsradet
ID HARTREE-FOCK APPROXIMATION; HEAVY-ION COLLISIONS; RELATIVISTIC
HYDRODYNAMICS; FISSION; FLUID; SIGNATURE; DYNAMICS
AB Hydrodynamics and quantum mechanics have many elements in common, as the density field and velocity fields are common variables that can be constructed in both descriptions. Starting with the Schrodinger equation and the Klein-Gordon for a single particle in hydrodynamical form, we examine the basic assumptions under which a quantum system of particles interacting through their mean fields can be described by hydrodynamics.
C1 Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA.
RP Wong, CY (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA.
EM wongc@ornl.gov
OI Wong, Cheuk-Yin/0000-0001-8223-0659
NR 42
TC 0
Z9 0
U1 0
U2 1
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
J9 EPJ WEB CONF
PY 2014
VL 71
AR 00140
DI 10.1051/epjconf/20147100140
PG 15
WC Astronomy & Astrophysics; Physics, Multidisciplinary; Physics, Particles
& Fields
SC Astronomy & Astrophysics; Physics
GA BB2UQ
UT WOS:000342375000140
ER
PT S
AU Wiggenhauser, H
Naus, DJ
AF Wiggenhauser, Herbert
Naus, Dan J.
BE Chimenti, DE
Bond, LJ
Thompson, DO
TI State-of-the-Art of Non-Destructive Testing Methods and Technologies for
Application to Nuclear Power Plant Safety-Related Concrete Structures
SO 40TH ANNUAL REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE
EVALUATION: INCORPORATING THE 10TH INTERNATIONAL CONFERENCE ON
BARKHAUSEN NOISE AND MICROMAGNETIC TESTING, VOLS 33A & 33B
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 10th International Conference on Barkhausen and Micro-Magnetics (ICBM)
CY JUL 21-26, 2013
CL Baltimore, MD
SP Quantitat Nondestruct Evaluat Programs, Amer Soc Nondestruct Testing, NDE Centers, World Federat, Stresstech Grp & Int Conf Barkhausen Noise & Micromagnet Testing Org Comm, Int Comm NDT, Natl Sci Fdn Ind Univ Cooperat Res Ctr, Iowa State Univ, Ctr Nondestruct Evaluat
DE Non-destructive Testing; Nuclear Power Plant; State-of-the-Art; Concrete
AB The inspection of nuclear power plant concrete structures presents challenges different from conventional civil engineering structures. Wall thicknesses can be in excess of one meter and the structures often have increased steel reinforcement density with more complex detailing. The accessibility for any testing method may be limited due to the presence of liners and other components and there can be a number of penetrations or cast-in-place items present. The objective of the report is to present the state-of-the art of non-destructive testing methods and technologies for the inspection of thick, heavily-reinforced nuclear power plant concrete cross-sections with particular respect to:
locating steel reinforcement and identification of its cover depth
locating tendon ducts and identification of the condition of the grout materials
detection of cracking, voids, delamination, and honeycombing in concrete structures
detection of inclusions of different materials or voids adjacent to the concrete side of the containment liner
methods capable of identification of corrosion occurrence on the concrete side of the containment liner
C1 [Wiggenhauser, Herbert] BAM Fed Inst Mat Res & Testing, Berlin, Germany.
[Naus, Dan J.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
RP Wiggenhauser, H (reprint author), BAM Fed Inst Mat Res & Testing, Berlin, Germany.
NR 5
TC 1
Z9 1
U1 2
U2 4
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1212-5
J9 AIP CONF PROC
PY 2014
VL 1581
BP 753
EP 760
DI 10.1063/1.4864896
PG 8
WC Physics, Applied
SC Physics
GA BB2TW
UT WOS:000342312400101
ER
PT S
AU Meyer, RM
Ramuhalli, P
Coble, JB
Hirt, EH
Mitchell, MR
Wootan, DW
Berglin, EJ
Bond, LJ
Henagar, CH
AF Meyer, Ryan M.
Ramuhalli, Pradeep
Coble, Jamie B.
Hirt, Evelyn H.
Mitchell, Mark R.
Wootan, David W.
Berglin, Eric J.
Bond, Leonard J.
Henagar, Chuck H., Jr.
BE Chimenti, DE
Bond, LJ
Thompson, DO
TI Research Gaps and Technology Needs in Development of PHM for Passive
AdvSMR Components
SO 40TH ANNUAL REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE
EVALUATION: INCORPORATING THE 10TH INTERNATIONAL CONFERENCE ON
BARKHAUSEN NOISE AND MICROMAGNETIC TESTING, VOLS 33A & 33B
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 10th International Conference on Barkhausen and Micro-Magnetics (ICBM)
CY JUL 21-26, 2013
CL Baltimore, MD
SP Quantitat Nondestruct Evaluat Programs, Amer Soc Nondestruct Testing, NDE Centers, World Federat, Stresstech Grp & Int Conf Barkhausen Noise & Micromagnet Testing Org Comm, Int Comm NDT, Natl Sci Fdn Ind Univ Cooperat Res Ctr, Iowa State Univ, Ctr Nondestruct Evaluat
DE Small Modular Reactors; Prognostics Health Management; Advanced
Reactors; Reliability; Passive Components
ID NUCLEAR-POWER
AB Advanced small modular reactors (AdvSMRs), which are based on modularization of advanced reactor concepts, may provide a longer-term alternative to traditional light-water reactors and near-term small modular reactors (SMRs), which are based on integral pressurized water reactor (iPWR) concepts. SMRs are challenged economically because of losses in economy of scale; thus, there is increased motivation to reduce the controllable operations and maintenance costs through automation technologies including prognostics health management (PHM) systems. In this regard, PHM systems have the potential to play a vital role in supporting the deployment of AdvSMRs and face several unique challenges with respect to implementation for passive AdvSMR components. This paper presents a summary of a research gaps and technical needs assessment performed for implementation of PHM for passive AdvSMR components.
C1 [Meyer, Ryan M.; Ramuhalli, Pradeep; Hirt, Evelyn H.; Mitchell, Mark R.; Wootan, David W.; Berglin, Eric J.; Henagar, Chuck H., Jr.] Pacific NorthWest Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA.
[Coble, Jamie B.] Univ Tennessee, Dept Nucl Engn, Knoxville, TN 37996 USA.
[Bond, Leonard J.] Iowa State Univ, Ctr Nondestruct Evaluat, Ames, IA 50011 USA.
RP Meyer, RM (reprint author), Pacific NorthWest Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA.
EM ryan.meyer@pnnl.gov; pradeep.ramuhalli@pnnl.gov; bondlj@iastate.edu
OI Ramuhalli, Pradeep/0000-0001-6372-1743
FU Small Modular Reactor Research; U.S. Department of Energy (DOE) Office
of Nuclear Energy; performed at Pacific Northwest National Laboratory
(PNNL); U.S. DOE [DE-AC06-76RLO 1830]
FX The work described in this paper was sponsored by the Small Modular
Reactor Research and Development Program of the U.S. Department of
Energy (DOE) Office of Nuclear Energy and performed at Pacific Northwest
National Laboratory (PNNL). PNNL is a multi-program national laboratory
operated by Battelle Memorial Institute for the U.S. DOE under contract
DE-AC06-76RLO 1830.
NR 8
TC 0
Z9 0
U1 1
U2 4
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1212-5
J9 AIP CONF PROC
PY 2014
VL 1581
BP 955
EP 961
DI 10.1063/1.4864924
PG 7
WC Physics, Applied
SC Physics
GA BB2TW
UT WOS:000342312400129
ER
PT S
AU Clayton, D
Smith, C
AF Clayton, Dwight
Smith, Cyrus
BE Chimenti, DE
Bond, LJ
Thompson, DO
TI Research in Nondestructive Evaluation Techniques for Nuclear Reactor
Concrete Structures
SO 40TH ANNUAL REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE
EVALUATION: INCORPORATING THE 10TH INTERNATIONAL CONFERENCE ON
BARKHAUSEN NOISE AND MICROMAGNETIC TESTING, VOLS 33A & 33B
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 10th International Conference on Barkhausen and Micro-Magnetics (ICBM)
CY JUL 21-26, 2013
CL Baltimore, MD
SP Quantitat Nondestruct Evaluat Programs, Amer Soc Nondestruct Testing, NDE Centers, World Federat, Stresstech Grp & Int Conf Barkhausen Noise & Micromagnet Testing Org Comm, Int Comm NDT, Natl Sci Fdn Ind Univ Cooperat Res Ctr, Iowa State Univ, Ctr Nondestruct Evaluat
DE Materials Aging; Nondestructive Evaluation; Nuclear Power Plants;
Concrete
AB The purpose of the Materials Aging and Degradation (MAaD) Pathway of the Department of Energy's Light Water Reactor Sustainability (LWRS) Program is to develop the scientific basis for understanding and predicting long-term environmental degradation behavior of material in nuclear power plants and to provide data and methods to assess the performance of systems, structures, and components (SSCs) essential to safe and sustained nuclear power plant operations. The understanding of aging-related phenomena and their impacts on SSCs is expected to be a significant issue for any nuclear power plant planning for long-term operations (i.e. service beyond the initial license renewal period). Management of those phenomena and their impacts during long-term operations can be better enable by improved methods and techniques for detection, monitoring, and prediction of SSC degradation. The MAaD Pathway R&D Roadmap for Concrete, "Light Water Reactor Sustainability Nondestructive Evaluation for Concrete Research and Development Roadmap", focused initial research efforts on understanding the recent concrete issues at nuclear power plants and identifying the availability of concrete samples for NDE techniques evaluation and testing. [1] An overview of the research performed by ORNL in these two areas is presented here.
C1 [Clayton, Dwight; Smith, Cyrus] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Clayton, D (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA.
EM claytonda@ornl.gov; smithcm2@ornl.gov
NR 6
TC 0
Z9 0
U1 0
U2 1
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1212-5
J9 AIP CONF PROC
PY 2014
VL 1581
BP 962
EP 969
DI 10.1063/1.4864925
PG 8
WC Physics, Applied
SC Physics
GA BB2TW
UT WOS:000342312400130
ER
PT S
AU Smith, JA
Cottle, DL
Rabin, BH
AF Smith, James A.
Cottle, Dave L.
Rabin, Barry H.
BE Chimenti, DE
Bond, LJ
Thompson, DO
TI Laser-Based Characterization of Nuclear Fuel Plates
SO 40TH ANNUAL REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE
EVALUATION: INCORPORATING THE 10TH INTERNATIONAL CONFERENCE ON
BARKHAUSEN NOISE AND MICROMAGNETIC TESTING, VOLS 33A & 33B
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 10th International Conference on Barkhausen and Micro-Magnetics (ICBM)
CY JUL 21-26, 2013
CL Baltimore, MD
SP Quantitat Nondestruct Evaluat Programs, Amer Soc Nondestruct Testing, NDE Centers, World Federat, Stresstech Grp & Int Conf Barkhausen Noise & Micromagnet Testing Org Comm, Int Comm NDT, Natl Sci Fdn Ind Univ Cooperat Res Ctr, Iowa State Univ, Ctr Nondestruct Evaluat
DE Laser Shockwave; Nuclear Fuel; Aluminum Cladding; Uranium Alloys;
Characterization; Clad-clad Bond Strength; Fuel-clad Bond Strength;
Fabry-Perot Detection
AB Ensuring the integrity of fuel-clad and clad-clad bonding in nuclear fuels is important for safe reactor operation and assessment of fuel performance, yet the measurement of bond strengths in actual fuels has proved challenging. The laser shockwave technique (LST) originally developed to characterize structural adhesion in composites is being employed to characterize interface strength in a new type of plate fuel being developed at Idaho National Laboratory (INL). LST is a non-contact method that uses lasers for the generation and detection of large-amplitude acoustic waves and is well suited for application to both fresh and irradiated nuclear-fuel plates. This paper will report on initial characterization results obtained from fresh fuel plates manufactured by different processes, including hot isostatic pressing, friction stir welding, and hot rolling.
C1 [Smith, James A.; Cottle, Dave L.; Rabin, Barry H.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Smith, JA (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA.
EM James.Smith@INL.gov
RI Chen, Ru/A-5105-2015
NR 6
TC 0
Z9 0
U1 1
U2 3
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1212-5
J9 AIP CONF PROC
PY 2014
VL 1581
BP 999
EP 1006
DI 10.1063/1.4864930
PG 8
WC Physics, Applied
SC Physics
GA BB2TW
UT WOS:000342312400135
ER
PT S
AU Smith, JA
Kotter, DK
Ali, RA
Garrett, SL
AF Smith, James A.
Kotter, Dale K.
Ali, Randall A.
Garrett, Steven L.
BE Chimenti, DE
Bond, LJ
Thompson, DO
TI Synergistic Smart Fuel for Microstructure Mediated Measurements
SO 40TH ANNUAL REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE
EVALUATION: INCORPORATING THE 10TH INTERNATIONAL CONFERENCE ON
BARKHAUSEN NOISE AND MICROMAGNETIC TESTING, VOLS 33A & 33B
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 10th International Conference on Barkhausen and Micro-Magnetics (ICBM)
CY JUL 21-26, 2013
CL Baltimore, MD
SP Quantitat Nondestruct Evaluat Programs, Amer Soc Nondestruct Testing, NDE Centers, World Federat, Stresstech Grp & Int Conf Barkhausen Noise & Micromagnet Testing Org Comm, Int Comm NDT, Natl Sci Fdn Ind Univ Cooperat Res Ctr, Iowa State Univ, Ctr Nondestruct Evaluat
DE Sensor; Acoustics; Thermoacoustics; Synergistic; Microstructure; Fission
gas; Nuclear; Thermometry; Nondestructive; Wireless; Thermal;
Self-powered
ID THERMOACOUSTIC-ENGINES; REFRIGERATORS; SOUND
AB Advancing the Nuclear Fuel Cycle and Next Generation Nuclear Power Plants requires enhancing our basic understanding of fuel and materials behavior under irradiation. The two most significant issues limiting the effectiveness and lifespan of the fuel are the loss of thermal conductivity of the fuel and the mechanical strength of both fuel and cladding. The core of a nuclear reactor presents an extremely harsh and challenging environment for both sensors and telemetry due to elevated temperatures and large fluxes of energetic and ionizing particles from radioactive decay processes. The majority of measurements are made in reactors using "radiation hardened" sensors and materials. A different approach has been pursued in this research that exploits high temperatures and materials that are robust with respect to ionizing radiation. This synergistically designed thermoacoustic sensor will be self-powered, wireless, and provide telemetry. The novel sensor will be able to provide reactor process information even if external electrical power and communication are unavailable. In addition, the form-factor for the sensor is identical to the existing fuel rods within reactors and contains no moving parts. Results from initial proof of concept experiments designed to characterize porosity, surface properties and monitor gas composition will be discussed.
C1 [Smith, James A.; Kotter, Dale K.] Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA.
[Ali, Randall A.; Garrett, Steven L.] Penn State Univ, Grad Program Acoust, State Coll, PA 16804 USA.
[Ali, Randall A.; Garrett, Steven L.] Penn State Univ, Appl Res Lab, State Coll, PA 16804 USA.
RP Smith, JA (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA.
FU Department of Energy Office of Nuclear Energy
FX Work is sponsored by the Department of Energy Office of Nuclear Energy:
Fuel Cycle Research and Development and Very High Temperature Reactor
Programs.
NR 13
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1212-5
J9 AIP CONF PROC
PY 2014
VL 1581
BP 1038
EP 1044
DI 10.1063/1.4864935
PG 7
WC Physics, Applied
SC Physics
GA BB2TW
UT WOS:000342312400140
ER
PT S
AU McJunkin, TR
Kunerth, DC
Nichol, CI
Todorov, E
Levesque, S
AF McJunkin, T. R.
Kunerth, D. C.
Nichol, C. I.
Todorov, E.
Levesque, S.
BE Chimenti, DE
Bond, LJ
Thompson, DO
TI A Towards Real Time Diagnostics of Hybrid Welding Laser/GMAW
SO 40TH ANNUAL REVIEW OF PROGRESS IN QUANTITATIVE NONDESTRUCTIVE
EVALUATION: INCORPORATING THE 10TH INTERNATIONAL CONFERENCE ON
BARKHAUSEN NOISE AND MICROMAGNETIC TESTING, VOLS 33A & 33B
SE AIP Conference Proceedings
LA English
DT Proceedings Paper
CT 10th International Conference on Barkhausen and Micro-Magnetics (ICBM)
CY JUL 21-26, 2013
CL Baltimore, MD
SP Quantitat Nondestruct Evaluat Programs, Amer Soc Nondestruct Testing, NDE Centers, World Federat, Stresstech Grp & Int Conf Barkhausen Noise & Micromagnet Testing Org Comm, Int Comm NDT, Natl Sci Fdn Ind Univ Cooperat Res Ctr, Iowa State Univ, Ctr Nondestruct Evaluat
DE Ultrasonic; Eddy Current; Hybrid Laser Welding; Diagnostic; Control;
Advanced Manufacturing
AB Methods are currently being developed towards a more robust system real time feedback in the high throughput process combining laser welding with gas metal arc welding. A combination of ultrasonic, eddy current, electronic monitoring, and visual techniques are being applied to the welding process. Initial simulation and bench top evaluation of proposed real time techniques on weld samples are presented along with the concepts to apply the techniques concurrently to the weld process. Consideration for the eventual code acceptance of the methods and system are also being researched as a component of this project. The goal is to detect defects or precursors to defects and correct when possible during the weld process.
C1 [McJunkin, T. R.; Kunerth, D. C.; Nichol, C. I.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
[Todorov, E.; Levesque, S.] Edison Welding Inst, Columbus, OH USA.
RP McJunkin, TR (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA.
EM timothy.mcjunkin@inl.gov
RI McJunkin, Timothy/G-8385-2011
OI McJunkin, Timothy/0000-0002-4987-9170
FU DOE NE Nuclear Energy Enabling Technology-- Advanced Methods of
Manufacturing; U.S. Government under DOE-NE Idaho Operations Office
[DE-AC07-05ID14517]
FX We would like to thank Feng Yu and Dana Couch for their collaboration
and insightful conversation on this project. The work described in this
manuscript was supported by DOE NE Nuclear Energy Enabling Technology--
Advanced Methods of Manufacturing and authored by a contractor of the
U.S. Government under DOE-NE Idaho Operations Office Contract
DE-AC07-05ID14517. Accordingly, the U.S. Government retains and the
publisher, by accepting the article for publication, acknowledges that
the U.S. Government retains a nonexclusive, paid-up, irrevocable,
worldwide license to publish or reproduce the published form of this
manuscript, or allow others to do so, for U.S. Government purposes.
NR 5
TC 0
Z9 0
U1 0
U2 5
PU AMER INST PHYSICS
PI MELVILLE
PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA
SN 0094-243X
BN 978-0-7354-1212-5
J9 AIP CONF PROC
PY 2014
VL 1581
BP 1709
EP 1715
DI 10.1063/1.4865029
PG 7
WC Physics, Applied
SC Physics
GA BB2TW
UT WOS:000342312400234
ER
PT S
AU Moody, DI
Smith, DA
Brumby, SP
AF Moody, Daniela I.
Smith, David A.
Brumby, Steven P.
BE Sadjadi, FA
Mahalanobis, A
TI Automatic detection of pulsed radio frequency (RF) targets using sparse
representations in undercomplete learned dictionaries
SO AUTOMATIC TARGET RECOGNITION XXIV
SE Proceedings of SPIE
LA English
DT Proceedings Paper
CT Conference on Automatic Target Recognition XXIV
CY MAY 05-06, 2014
CL Baltimore, MD
SP SPIE
DE RF target classification; RF target detection; RF transient
classification; RF learned dictionary; RF learned matched filter; sparse
classification; Hebbian learning; undercomplete learned dictionaries
ID PURSUITS
AB Automatic classification of transitory or pulsed radio frequency (RF) signals is of particular interest in persistent surveillance and remote sensing applications. Such transients are often acquired in noisy, cluttered environments, and may be characterized by complex or unknown analytical models. Conventional representations using orthogonal bases, e. g., Short Time Fourier and Wavelet Transforms, can be suboptimal for classification of transients, as they provide a rigid tiling of the time-frequency space, and are not specifically designed for a particular target signal. They do not usually lead to sparse decompositions, and require separate feature selection algorithms, creating additional computational overhead. We propose a fast, adaptive classification approach based on non-analytical dictionaries learned from data. Our goal is to detect chirped pulses from a model target emitter in poor signal-to-noise and varying levels of simulated background clutter conditions. This paper builds on our previous RF classification work, and extends it to more complex target and background scenarios. We use a Hebbian rule to learn discriminative RF dictionaries directly from data, without relying on analytical constraints or additional knowledge about the signal characteristics. A pursuit search is used over the learned dictionaries to generate sparse classification features in order to identify time windows containing a target pulse. We demonstrate that learned dictionary techniques are highly suitable for pulsed RF analysis and present results with varying background clutter and noise levels. The target detection decision is obtained in almost real-time via a parallel, vectorized implementation.
C1 [Moody, Daniela I.; Smith, David A.; Brumby, Steven P.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Moody, DI (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
OI Moody, Daniela/0000-0002-4452-8208
NR 15
TC 0
Z9 0
U1 0
U2 3
PU SPIE-INT SOC OPTICAL ENGINEERING
PI BELLINGHAM
PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
SN 0277-786X
BN 978-1-62841-027-3
J9 PROC SPIE
PY 2014
VL 9090
AR 90900C
DI 10.1117/12.2049845
PG 11
WC Engineering, Electrical & Electronic; Optics; Physics, Applied
SC Engineering; Optics; Physics
GA BB2ZL
UT WOS:000342579300011
ER
PT S
AU McGuire, MA
AF McGuire, Michael A.
BE Buschow, KHJ
TI MAGNETISM AND STRUCTURE IN LAYERED IRON SUPERCONDUCTOR SYSTEMS
SO HANDBOOK OF MAGNETIC MATERIALS, VOL 22
SE Handbook of Magnetic Materials
LA English
DT Article; Book Chapter
ID SPIN-DENSITY-WAVE; HIGH-TEMPERATURE SUPERCONDUCTIVITY;
ZRCUSIAS-TYPE-STRUCTURE; CRYSTAL-STRUCTURE; ELECTRONIC-STRUCTURE;
QUATERNARY COMPOUND; FE-57 MOSSBAUER; PHASE-DIAGRAM; HIGH-PRESSURE;
TRANSITION
C1 Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
RP McGuire, MA (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
EM McGuireMA@ornl.gov
NR 297
TC 1
Z9 1
U1 1
U2 3
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1567-2719
BN 978-0-444-63293-7; 978-0-444-63291-3
J9 HBK MAGN MAT
PY 2014
VL 22
BP 381
EP 463
DI 10.1016/B978-0-444-63291-3.00004-0
PG 83
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA BB2ZB
UT WOS:000342574400004
ER
PT S
AU Avakian, H
AF Avakian, H.
BE Lunardi, S
Bizzeti, PG
Kabana, S
Bucci, C
Chiari, M
Dainese, A
DiNezza, P
Menegazzo, R
Nannini, A
Signorini, C
ValienteDobon, JJ
TI Structure and spin of the nucleon
SO INPC 2013 - INTERNATIONAL NUCLEAR PHYSICS CONFERENCE, VOL. 1
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT International Nuclear Physics Conference (INPC)
CY JUN 02-07, 2013
CL Firenze, ITALY
SP Ist Nazl Fisica Nucl, Univ Firenze, Univ Milano, Univ Padova
ID DEEP-INELASTIC SCATTERING; POLARIZED DEUTERIUM TARGET; SINGLE-SPIN;
AZIMUTHAL ASYMMETRIES; SEMIINCLUSIVE ELECTROPRODUCTION; PION
ELECTROPRODUCTION; DISTRIBUTIONS; SIDIS; HERMES
AB Parton distribution functions, describing longitudinal momentum, helicity and transversity distributions of quarks and gluons, have been recently generalized to account also for transverse degrees of freedom. Two new sets of more general distributions, Transverse Momentum Distributions and Generalized Parton Distributions, were introduced to describe transverse momentum and space distributions of partons.
Great progress has been made since then in measurements of different Single Spin Asymmetries (SSAs) in semi-inclusive and hard exclusive processes providing access to TMDs and GPDs, respectively. Facilities world-wide involved in studies of the 3D structure of nucleon include HERMES, COMPASS, BELLE, BaBar, Halls A, B, and C at JLab, and PHENIX and STAR at RHIC (BNL). TMD studies in the Drell-Yan process are also becoming an important part of the program of hadron scattering experiments. Studies of TMDs are also among the main driving forces of the JLab 12-GeV upgrade project, several of the forward upgrade proposals of STAR and PHENIX at RHIC, and future facilities, such as the Electron Ion Collider (EIC), FAIR in Germany, and NICA in Russia. In this contribution we present an overview of the latest developments in studies of parton distributions and discuss newly released results, ongoing activities, as well as some future measurements.
C1 Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA.
RP Avakian, H (reprint author), Thomas Jefferson Natl Accelerator Facil, 12000 Jefferson Ave Suite 5, Newport News, VA 23606 USA.
EM avakian@jlab.org
NR 52
TC 1
Z9 1
U1 0
U2 0
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-1175-5
J9 EPJ WEB CONF
PY 2014
VL 66
AR 01001
DI 10.1051/epjconf/20146601001
PG 8
WC Physics, Nuclear
SC Physics
GA BB2XL
UT WOS:000342462000002
ER
PT S
AU Gandolfi, S
Steiner, AW
AF Gandolfi, Stefano
Steiner, Andrew W.
BE Lunardi, S
Bizzeti, PG
Kabana, S
Bucci, C
Chiari, M
Dainese, A
DiNezza, P
Menegazzo, R
Nannini, A
Signorini, C
ValienteDobon, JJ
TI From nuclear structure to neutron stars
SO INPC 2013 - INTERNATIONAL NUCLEAR PHYSICS CONFERENCE, VOL. 1
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT International Nuclear Physics Conference (INPC)
CY JUN 02-07, 2013
CL Firenze, ITALY
SP Ist Nazl Fisica Nucl, Univ Firenze, Univ Milano, Univ Padova
ID EQUATION-OF-STATE; MONTE-CARLO CALCULATIONS; MASS-RADIUS RELATION; DENSE
MATTER; DENSITIES; SPECTRA; FORCES
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. As a demonstration, we show that the agreement between theoretical calculations of the charge form factor of C-12 and the experimental data is excellent. Applying similar methods to isospin-asymmetric systems allows one to describe neutrons confined in an external potential and homogeneous neutron-rich matter. Of particular interest is the nuclear symmetry energy, the energy cost of creating an isospin asymmetry. 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, Stefano] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
RP Gandolfi, S (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
OI Gandolfi, Stefano/0000-0002-0430-9035; Steiner,
Andrew/0000-0003-2478-4017
NR 54
TC 0
Z9 0
U1 0
U2 0
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-1175-5
J9 EPJ WEB CONF
PY 2014
VL 66
AR 01017
DI 10.1051/epjconf/20146601017
PG 14
WC Physics, Nuclear
SC Physics
GA BB2XL
UT WOS:000342462000018
ER
PT S
AU Mashnik, SG
Kerby, LM
Gudima, KK
Sierk, AJ
AF Mashnik, Stepan G.
Kerby, Leslie M.
Gudima, Konstantin K.
Sierk, Arnold J.
BE Lunardi, S
Bizzeti, PG
Kabana, S
Bucci, C
Chiari, M
Dainese, A
DiNezza, P
Menegazzo, R
Nannini, A
Signorini, C
ValienteDobon, JJ
TI Production of Energetic Light Fragments in Spallation Reactions
SO INPC 2013 - INTERNATIONAL NUCLEAR PHYSICS CONFERENCE, VOL. 1
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT International Nuclear Physics Conference (INPC)
CY JUN 02-07, 2013
CL Firenze, ITALY
SP Ist Nazl Fisica Nucl, Univ Firenze, Univ Milano, Univ Padova
AB Different reaction mechanisms contribute to the production of light fragments (LF) from nuclear reactions. Available models cannot accurately predict emission of LF from arbitrary reactions. However, the emission of LF is important for many applications, such as cosmic-ray-induced single event upsets, radiation protection, and cancer therapy with proton and heavy-ion beams, to name just a few. The cascade-exciton model (CEM) and the Los Alamos version of the quark-gluon string model (LAQGSM), as implemented in the CEM03.03 and LAQGSM03.03 event generators used in the Los Alamos Monte Carlo transport code MCNP6, describe quite well the spectra of fragments with sizes up to He-4 across a broad range of target masses and incident energies. However, they do not predict high-energy tails for LF heavier than He-4. The standard versions of CEM and LAQGSM do not account for preequilibrium emission of LF larger than He-4. The aim of our work is to extend the preequilibrium model to include such processes. We do this by including the emission of fragments heavier than He-4 at the preequilibrium stage, and using an improved version of the Fermi Break-up model, providing improved agreement with various experimental data.
C1 [Mashnik, Stepan G.; Kerby, Leslie M.; Sierk, Arnold J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Mashnik, SG (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM mashnik@lanl.gov
NR 15
TC 2
Z9 2
U1 0
U2 1
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-1175-5
J9 EPJ WEB CONF
PY 2014
VL 66
AR 03059
DI 10.1051/epjconf/20146603059
PG 4
WC Physics, Nuclear
SC Physics
GA BB2XL
UT WOS:000342462000196
ER
PT S
AU Alcorta, M
Fynbo, HOU
Albers, M
Almaraz-Calderon, S
Bertone, PF
Carnelli, PFF
Carpenter, MP
Chiara, CJ
DiGiovine, B
Greene, JP
Hoffman, CR
Janssens, RVF
Lauritsen, T
Laursen, KL
Marley, ST
Nair, C
Nusair, O
Rehm, KE
Seweryniak, D
Ugalde, C
Zhu, S
AF Alcorta, M.
Fynbo, H. O. U.
Albers, M.
Almaraz-Calderon, S.
Bertone, P. F.
Carnelli, P. F. F.
Carpenter, M. P.
Chiara, C. J.
DiGiovine, B.
Greene, J. P.
Hoffman, C. R.
Janssens, R. V. F.
Lauritsen, T.
Laursen, K. L.
Marley, S. T.
Nair, C.
Nusair, O.
Rehm, K. E.
Seweryniak, D.
Ugalde, C.
Zhu, S.
BE Lunardi, S
Bizzeti, PG
Kabana, S
Bucci, C
Chiari, M
Dainese, A
DiNezza, P
Menegazzo, R
Nannini, A
Signorini, C
ValienteDobon, JJ
TI beta-decay measurements of B-12 with Gammasphere
SO INPC 2013 - INTERNATIONAL NUCLEAR PHYSICS CONFERENCE, VOL. 2
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT International Nuclear Physics Conference (INPC)
CY JUN 02-07, 2013
CL Firenze, ITALY
SP Ist Nazl Fisica Nucl, Univ Firenze, Univ Milano, Univ Padova
ID C-12
AB The beta-decay branching ratio of B-12 to the Hoyle state in C-12 was measured by detection of gamma rays. B-12 nuclei were produced via the B-11(d,p)B-12 reaction in inverse kinematics on a TiD2 target. The present results corroborate those obtained recently for the beta branch by implantation. The value from both experiments is inconsistent with that accepted in the literature.
C1 [Alcorta, M.; Albers, M.; Almaraz-Calderon, S.; Bertone, P. F.; Carpenter, M. P.; Chiara, C. J.; DiGiovine, B.; Greene, J. P.; Hoffman, C. R.; Janssens, R. V. F.; Lauritsen, T.; Marley, S. T.; Nair, C.; Nusair, O.; Rehm, K. E.; Seweryniak, D.; Ugalde, C.; Zhu, S.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA.
[Fynbo, H. O. U.; Laursen, K. L.] Aarhus Univ, Dept Phys & Astron, DK-8000 Aarhus, Denmark.
[Carnelli, P. F. F.] Comis Nacl Energia Atom, Lab Tandar, RA-B1650KNA Buenos Aires, DF, Argentina.
[Chiara, C. J.] Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA.
[Marley, S. T.] Western Michigan Univ, Dept Phys, Kalamazoo, MI 49008 USA.
[Ugalde, C.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA.
[Ugalde, C.] Joint Inst Nucl Astrophys, Chicago, IL 60637 USA.
RP Alcorta, M (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA.
EM malcorta@gmail.com
RI Carpenter, Michael/E-4287-2015; Alcorta, Martin/G-7107-2011
OI Carpenter, Michael/0000-0002-3237-5734; Alcorta,
Martin/0000-0002-6217-5004
FU U.S. Department of Energy, Office of Nuclear Physics [DE-AC02-06CH11357,
DE-FG02-04ER41320, DE-FG02-94ER40834]; European Research Council
[307447]
FX This work is supported by the U.S. Department of Energy, Office of
Nuclear Physics, under Contracts No. DE-AC02-06CH11357 and No.
DE-FG02-04ER41320 and Grant No. DE-FG02-94ER40834. We also acknowledge
financial support from the European Research Council under ERC starting
grant LOBENA, No. 307447.
NR 9
TC 2
Z9 2
U1 0
U2 1
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-1176-2
J9 EPJ WEB CONF
PY 2014
VL 66
AR UNSP 07001
DI 10.1051/epjconf/20146607001
PG 4
WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields
SC Astronomy & Astrophysics; Physics
GA BB2XM
UT WOS:000342463600080
ER
PT S
AU Gulino, M
Spitaleri, C
Tang, XD
Guardo, GL
Lamia, L
Cherubini, S
Bucher, B
Burjan, V
Couder, M
Davies, P
deBoer, R
Fang, X
Goldberg, VZ
Hons, Z
Kroha, V
Lamm, L
La Cognata, M
Li, C
Ma, C
Mrazek, J
Mukhamedzhanov, AM
Notani, M
O'Brien, S
Pizzone, RG
Rapisarda, GG
Roberson, D
Sergi, ML
Tan, W
Thompson, IJ
Wiescher, M
AF Gulino, M.
Spitaleri, C.
Tang, X. D.
Guardo, G. L.
Lamia, L.
Cherubini, S.
Bucher, B.
Burjan, V.
Couder, M.
Davies, P.
deBoer, R.
Fang, X.
Goldberg, V. Z.
Hons, Z.
Kroha, V.
Lamm, L.
La Cognata, M.
Li, C.
Ma, C.
Mrazek, J.
Mukhamedzhanov, A. M.
Notani, M.
O'Brien, S.
Pizzone, R. G.
Rapisarda, G. G.
Roberson, D.
Sergi, M. L.
Tan, W.
Thompson, I. J.
Wiescher, M.
BE Lunardi, S
Bizzeti, PG
Kabana, S
Bucci, C
Chiari, M
Dainese, A
DiNezza, P
Menegazzo, R
Nannini, A
Signorini, C
ValienteDobon, JJ
TI Application of the Trojan Horse Method to study neutron induced
reactions: the O-17(n, alpha)C-14 reaction
SO INPC 2013 - INTERNATIONAL NUCLEAR PHYSICS CONFERENCE, VOL. 2
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT International Nuclear Physics Conference (INPC)
CY JUN 02-07, 2013
CL Firenze, ITALY
SP Ist Nazl Fisica Nucl, Univ Firenze, Univ Milano, Univ Padova
ID NUCLEAR ASTROPHYSICS; CROSS-SECTION; ELEMENTS; C-14
AB The reaction O-17( n,alpha)C-14 was studied using virtual neutrons coming from the quasi-free deuteron break-up in the three body reaction O-17+d -> alpha+C-14+p. This technique, called virtual neutron method, extends the Trojan Horse method to neutron-induced reactions allowing to study the reaction cross section avoiding the suppression effects coming from the penetrability of the centrifugal barrier. For incident neutron energies from thermal up to a few hundred keV, direct experiments have shown the population of two out of three expected excited states at energies 8213 keV and 8282 keV and the influence of the sub-threshold level at 8038 keV. In the present experiment the O-18 excited state at E* = 8.125 MeV, missing in the direct measurement, is observed. The angular distributions of the populated resonances have been measured for the first time. The results unambiguously indicate the ability of the method to overcome the centrifugal barrier suppression effect and to pick out the contribution of the bare nuclear interaction.
C1 [Gulino, M.; Spitaleri, C.; Guardo, G. L.; Lamia, L.; Cherubini, S.; La Cognata, M.; Pizzone, R. G.; Rapisarda, G. G.; Sergi, M. L.] Ist Nazl Fis Nucl, Lab Nazl Sud, I-95129 Catania, Italy.
[Gulino, M.] Uni Enna KORE, Enna, Italy.
[Spitaleri, C.; Guardo, G. L.; Lamia, L.; Cherubini, S.; Rapisarda, G. G.] Univ Catania, Dipartimento Fis & Astron, Catania, Italy.
[Tang, X. D.; Bucher, B.; Couder, M.; Davies, P.; deBoer, R.; Fang, X.; Lamm, L.; Ma, C.; Notani, M.; O'Brien, S.; Roberson, D.; Tan, W.; Wiescher, M.] Univ Notre Dame, Dept Phys, Notre Dame, IN USA.
[Tang, X. D.; Bucher, B.; Couder, M.; Davies, P.; deBoer, R.; Fang, X.; Lamm, L.; Ma, C.; Notani, M.; O'Brien, S.; Roberson, D.; Tan, W.; Wiescher, M.] Univ Notre Dame, Joint Inst Nucl Astrophys, Notre Dame, IN USA.
[Burjan, V.; Hons, Z.; Kroha, V.; Mrazek, J.] ASCR, Inst Nucl Phys, Rez, Czech Republic.
[Goldberg, V. Z.; Mukhamedzhanov, A. M.] Texas A&M Univ, Inst Cyclotron, College Stn, TX USA.
[Li, C.] China Inst Atom Energy, Beijing, Peoples R China.
[Thompson, I. J.] Lawrence Livermore Natl Lab, Livermore, CA USA.
RP Gulino, M (reprint author), Ist Nazl Fis Nucl, Lab Nazl Sud, I-95129 Catania, Italy.
EM gulino@lns.infn.it
RI Cherubini, Silvio/F-3503-2017; Burjan, Vaclav/H-1429-2014; Mrazek,
Jaromir/H-1355-2014; Hons, Zdenek/G-7846-2014; Kroha,
Vaclav/H-1504-2014; Pizzone, Rosario/I-4527-2015; La Cognata,
Marco/B-9641-2013; LAMIA, LIVIO/J-9381-2015; Sergi, Maria Letizia
/K-2321-2015; Rapisarda, Giuseppe/K-2353-2015; Spitaleri,
Claudio/K-3215-2015; Tang, Xiaodong /F-4891-2016; Couder,
Manoel/B-1439-2009; Tan, Wanpeng/A-4687-2008
OI Cherubini, Silvio/0000-0002-1974-0389; Gulino,
Marisa/0000-0003-4125-9150; Hons, Zdenek/0000-0002-3384-6198; Pizzone,
Rosario/0000-0003-2436-6640; La Cognata, Marco/0000-0002-1819-4814;
LAMIA, LIVIO/0000-0002-4055-0811; Sergi, Maria Letizia
/0000-0002-6631-0015; Rapisarda, Giuseppe/0000-0003-4064-2609;
Spitaleri, Claudio/0000-0001-6256-9727; Couder,
Manoel/0000-0002-0636-744X; Tan, Wanpeng/0000-0002-5930-1823
NR 15
TC 0
Z9 0
U1 3
U2 25
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-1176-2
J9 EPJ WEB CONF
PY 2014
VL 66
AR UNSP 07008
DI 10.1051/epjconf/20146607008
PG 4
WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields
SC Astronomy & Astrophysics; Physics
GA BB2XM
UT WOS:000342463600087
ER
PT S
AU Lawrence, D
AF Lawrence, David
CA GlueX Collaboration
BE Lunardi, S
Bizzeti, PG
Kabana, S
Bucci, C
Chiari, M
Dainese, A
DiNezza, P
Menegazzo, R
Nannini, A
Signorini, C
ValienteDobon, JJ
TI Exotic Hybrid Meson Spectroscopy with the GlueX detector at JLab
SO INPC 2013 - INTERNATIONAL NUCLEAR PHYSICS CONFERENCE, VOL. 2
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT International Nuclear Physics Conference (INPC)
CY JUN 02-07, 2013
CL Firenze, ITALY
SP Ist Nazl Fisica Nucl, Univ Firenze, Univ Milano, Univ Padova
AB The GlueX experiment[1] is scheduled to begin taking data in 2015. The goal is to discover evidence for the existence of exotic hybrid mesons and to map out their spectrum in the light quark sector. Recent theoretical developments using Lattice QCD [2] predict exotic hybrid states in a mass range accessible using the newly upgraded 12GeV electron accelerator at Jefferson Lab. Hybrid mesons, and in particular exotic hybrid mesons, provide the ideal laboratory for testing QCD in the confinement regime since these mesons explicitly manifest the gluonic degrees of freedom. The experiment will use 9 GeV linearly polarized photons produced via coherent Bremsstrahlung to produce the exotic hybrids. The decay products will be detected in the solenoid-based GlueX detector currently under construction at Jefferson Lab. The status of the GlueX experiment including detector parameters will be presented along with theoretical motivation for the experiment.
C1 [Lawrence, David] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA.
RP Lawrence, D (reprint author), Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA.
EM davidl@jlab.org
NR 6
TC 1
Z9 1
U1 0
U2 1
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-1176-2
J9 EPJ WEB CONF
PY 2014
VL 66
AR 06011
DI 10.1051/epjconf/20146606011
PG 7
WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields
SC Astronomy & Astrophysics; Physics
GA BB2XM
UT WOS:000342463600066
ER
PT S
AU Sakaguchi, T
AF Sakaguchi, Takao
CA PHENIX Collaboration
BE Lunardi, S
Bizzeti, PG
Kabana, S
Bucci, C
Chiari, M
Dainese, A
DiNezza, P
Menegazzo, R
Nannini, A
Signorini, C
ValienteDobon, JJ
TI Profiling hot and dense nuclear medium with high transverse momentum
hadrons produced in d plus Au and Au plus Au collisions by the PHENIX
experiment at RHIC
SO INPC 2013 - INTERNATIONAL NUCLEAR PHYSICS CONFERENCE, VOL. 2
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT International Nuclear Physics Conference (INPC)
CY JUN 02-07, 2013
CL Firenze, ITALY
SP Ist Nazl Fisica Nucl, Univ Firenze, Univ Milano, Univ Padova
AB PHENIX measurements of high transverse momentum (pT) identified hadrons in d+Au and Au+Au collisions are presented. The nuclear modification factors (R-dA and R-AA) for pi(0) and eta are found to be very consistent in both collision systems, respectively. Using large amount of p + p and Au+Au datasets, the fractional momentum loss (S loss) and the path-length dependent yield of pi(0) in Au+Au collisions are obtained. The hadron spectra in the most central d+Au and the most peripheral Au+Au collisions are studied. The spectra shapes are found to be similar in both systems, but the yield is suppressed in the most peripheral Au+Au collisions.
C1 [Sakaguchi, Takao; PHENIX Collaboration] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
RP Sakaguchi, T (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA.
EM takao@bnl.gov
NR 10
TC 0
Z9 0
U1 0
U2 1
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-1176-2
J9 EPJ WEB CONF
PY 2014
VL 66
AR 04026
DI 10.1051/epjconf/20146604026
PG 4
WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields
SC Astronomy & Astrophysics; Physics
GA BB2XM
UT WOS:000342463600026
ER
PT S
AU Zakari-Issoufou, AA
Porta, A
Fallot, M
Algora, A
Tain, JL
Valencia, E
Rice, S
Agramunt, J
Aysto, J
Bowry, M
Bui, VM
Caballero-Folch, R
Cano-Ott, D
Eloma, V
Estevez, E
Farrelly, GF
Garcia, A
Gelletly, W
Gomez-Hornillos, MB
Gorlychev, V
Hakala, J
Jokinen, A
Jordan, MD
Kankainen, A
Kondev, FG
Martinez, T
Mendoza, E
Molina, F
Moore, I
Perez, A
Podolyak, Z
Penttila, H
Regan, PH
Rissanen, J
Rubio, B
Weber, C
AF Zakari-Issoufou, A. -A.
Porta, A.
Fallot, M.
Algora, A.
Tain, J. L.
Valencia, E.
Rice, S.
Agramunt, J.
Aysto, J.
Bowry, M.
Bui, V. M.
Caballero-Folch, R.
Cano-Ott, D.
Eloma, V.
Estevez, E.
Farrelly, G. F.
Garcia, A.
Gelletly, W.
Gomez-Hornillos, M. B.
Gorlychev, V.
Hakala, J.
Jokinen, A.
Jordan, M. D.
Kankainen, A.
Kondev, F. G.
Martinez, T.
Mendoza, E.
Molina, F.
Moore, I.
Perez, A.
Podolyak, Zs.
Penttila, H.
Regan, P. H.
Rissanen, J.
Rubio, B.
Weber, C.
CA IGISOL People
BE Lunardi, S
Bizzeti, PG
Kabana, S
Bucci, C
Chiari, M
Dainese, A
DiNezza, P
Menegazzo, R
Nannini, A
Signorini, C
ValienteDobon, JJ
TI Results of fission products beta decay properties measurement performed
with a total absorption spectrometer
SO INPC 2013 - INTERNATIONAL NUCLEAR PHYSICS CONFERENCE, VOL. 2
SE EPJ Web of Conferences
LA English
DT Proceedings Paper
CT International Nuclear Physics Conference (INPC)
CY JUN 02-07, 2013
CL Firenze, ITALY
SP Ist Nazl Fisica Nucl, Univ Firenze, Univ Milano, Univ Padova
AB beta-decay properties of fission products are very important for applied reactor physics, for instance to estimate the decay heat released immediately after the reactor shutdown and to estimate the (nu) over bar flux emitted. An accurate estimation of the decay heat and the (nu) over bar emitted flux from reactors, are necessary for purposes such as reactors operation safety and non-proliferation. In order to improve the precision in the prediction for these quantities, the bias due to the Pandemonium effect affecting some important fission product data has to be corrected. New measurements of fission products beta-decay, not sensitive to this effect, have been performed with a Total Absorption Spectrometer (TAS) at the JYFL facility of Jyvaskyla. An overview of the TAS technique and first results from the 2009 campaign will be presented.
C1 [Zakari-Issoufou, A. -A.; Porta, A.; Fallot, M.; Bui, V. M.] Univ Nantes, EMN, CNRS IN2P3, Subatech, Nantes, France.
[Algora, A.; Tain, J. L.; Valencia, E.; Agramunt, J.; Molina, F.; Perez, A.; Rubio, B.] Univ Valencia, IFIC, CSIC, Valencia, Spain.
[Rice, S.; Bowry, M.; Gelletly, W.; Regan, P. H.] Univ Surrey, Guildford, England.
[Eloma, V.; Hakala, J.; Jokinen, A.; Kankainen, A.; Kondev, F. G.; Moore, I.; Penttila, H.; Rissanen, J.; Weber, C.] Univ Jyvaskyla, IGISOL, Jyvaskyla, Finland.
[Cano-Ott, D.; Martinez, T.] CIEMAT, Madrid, Spain.
[Caballero-Folch, R.; Gomez-Hornillos, M. B.; Gorlychev, V.] Univ Politecn Cataluna, Barcelona, Spain.
[Kondev, F. G.] Nucl Engn Div, Argonne Natl Lab, Argonne, IL USA.
[Algora, A.] MTA ATOMKI, Debrecen, Hungary.
RP Zakari-Issoufou, AA (reprint author), Univ Nantes, EMN, CNRS IN2P3, Subatech, Nantes, France.
EM zakari@subatech.in2p3.fr
RI Mendoza Cembranos, Emilio/K-5789-2014; Cano Ott, Daniel/K-4945-2014;
Algora, Alejandro/E-2960-2015; Martinez, Trinitario/K-6785-2014
OI Mendoza Cembranos, Emilio/0000-0002-2843-1801; Cano Ott,
Daniel/0000-0002-9568-7508; Algora, Alejandro/0000-0002-5199-1794;
Martinez, Trinitario/0000-0002-0683-5506
NR 11
TC 1
Z9 1
U1 0
U2 4
PU E D P SCIENCES
PI CEDEX A
PA 17 AVE DU HOGGAR PARC D ACTIVITES COUTABOEUF BP 112, F-91944 CEDEX A,
FRANCE
SN 2100-014X
BN 978-2-7598-1176-2
J9 EPJ WEB CONF
PY 2014
VL 66
AR UNSP 10019
DI 10.1051/epjconf/20146610019
PG 4
WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields
SC Astronomy & Astrophysics; Physics
GA BB2XM
UT WOS:000342463600154
ER
PT J
AU Alstone, P
Radecsky, K
Jacobson, A
Mills, E
AF Alstone, Peter
Radecsky, Kristen
Jacobson, Arne
Mills, Evan
TI FIELD STUDY METHODS AND RESULTS FROM A MARKET TRIAL OF LED LIGHTING FOR
NIGHT MARKET VENDORS IN RURAL KENYA
SO LIGHT & ENGINEERING
LA English
DT Article
DE LED; solar; developing countries; economics; market
ID KEROSENE; LAMPS
AB We evaluated the uptake of grid-independent LED lighting among night vendors in two small Kenyan towns during the "early days" of the solar-LED market. The methods we used combine social geography with energy and technology analysis to understand LED lighting adoption patterns in the context of a market that is getting its first exposure to LED technology, a situation that is repeating itself in villages and towns across the developing world. Of 23 night vendors to whom we offered LED lanterns at realistic market prices, 14 (61 %) opted to purchase. We identified wide variations in baseline kerosene fuel use, significant fluctuations in the pricing of kerosene, an only partial degree to which kerosene was displaced, the value of high-frequency utilization information derived from embedded data loggers, consumer willingness to pay for improved lights, and significantly confounding effects of market spoiling due to prior experience with low-quality LED products. In a likely response to significant reductions in kerosene prices during the trial period, a non-adopter control group increased kerosene use by 70%.
C1 [Alstone, Peter] Univ Calif Berkeley, Energy & Resources Grp, Berkeley, CA 94720 USA.
[Radecsky, Kristen; Jacobson, Arne] Humboldt State Univ, Schatz Energy Res Ctr, Arcata, CA USA.
[Mills, Evan] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Alstone, P (reprint author), Univ Calif Berkeley, Energy & Resources Grp, Berkeley, CA 94720 USA.
EM peter.alstone@gmail.com; Kristen.Radecsky@humboldt.edu;
Arne.Jacobson@humboldt.edu; emills@lbl.gov
FU Rosenfeld Fund of the Blum Center for Developing Economies at UC
Berkeley through U.S. Department of Energy [DE-AC02-05 CH11231]
FX This article is based on a longer report by the same authors [19]. This
work was funded by The Rosenfeld Fund of the Blum Center for Developing
Economies at UC Berkeley, through the U.S. Department of Energy under
Contract No. DE-AC02-05 CH11231.
NR 26
TC 1
Z9 1
U1 0
U2 3
PU ZNACK PUBLISHING HOUSE
PI MOSCOW
PA PO BOX 648, 10100 MOSCOW, RUSSIA
SN 0236-2945
J9 LIGHT ENG
JI Light Eng.
PY 2014
VL 22
IS 2
BP 23
EP 37
PG 15
WC Engineering, Electrical & Electronic; Optics
SC Engineering; Optics
GA AQ2IG
UT WOS:000342608400003
ER
EF