FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Feng, ZX Yacoby, Y Hong, WT Zhou, H Biegalski, MD Christen, HM Shao-Horn, Y AF Feng, Zhenxing Yacoby, Yizhak Hong, Wesley T. Zhou, Hua Biegalski, Michael D. Christen, Hans M. Shao-Horn, Yang TI Revealing the atomic structure and strontium distribution in nanometer-thick La0.8Sr0.2CoO3-delta grown on (001)-oriented SrTiO3 SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID OXIDE FUEL-CELLS; OXYGEN-SURFACE EXCHANGE; TRANSPORT-PROPERTIES; NEUTRON-DIFFRACTION; CATHODE MATERIALS; QUANTUM DOTS; IN-SITU; FILMS; PEROVSKITES; REDUCTION AB Surface segregation in metal oxides can greatly influence the oxygen transport and surface oxygen exchange kinetics critical to the performance of solid-state devices such as oxygen permeation membranes and solid oxide fuel/electrolytic cell electrodes. Unfortunately detecting elemental distributions at the atomic scale near the surface remains challenging, which hampers the understanding of underpinning mechanisms and control of surface segregation for the design of high-performance materials. Using the coherent Bragg rod analysis (COBRA) method, we report the first direct 3D atomic imaging of a 4 nm-thick "La0.8Sr0.2CoO3-delta"/SrTiO3 epitaxial film. Of significance, energy differential COBRA revealed pronounced Sr segregation (La1-xSrxCoO3-delta, x similar to 0.4)in the four unit cells from the top surface while complete Sr depletion was detected in the five unit cells from the "La0.8Sr0.2CoO3-delta"/SrTiO3 interface. The drastic strontium compositional changes in the film were associated with large changes in the atomic positions of apical oxygen sites in the perovskite structure. Such Sr segregation tendencies toward the surface were also found in nominal "La0.6Sr0.4CoO3-delta" thin films, which can greatly enhance the surface oxygen exchange properties of oxides. The results presented here show that COBRA and the differential COBRA methods can be used to investigate a variety of electrochemically active systems providing atomic scale structural and chemical information that can help understand the physical and chemical properties of these systems and serve as a basis for comparison with DFT calculations. C1 [Feng, Zhenxing; Hong, Wesley T.; Shao-Horn, Yang] MIT, Electrochem Energy Lab, Cambridge, MA 02139 USA. [Feng, Zhenxing; Shao-Horn, Yang] MIT, Dept Mech Engn, Cambridge, MA 02139 USA. [Yacoby, Yizhak] Hebrew Univ Jerusalem, Racah Inst Phys, IL-91904 Jerusalem, Israel. [Hong, Wesley T.; Shao-Horn, Yang] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Zhou, Hua] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Biegalski, Michael D.; Christen, Hans M.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Feng, ZX (reprint author), MIT, Electrochem Energy Lab, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM shaohorn@mit.edu RI Hong, Wesley/H-1102-2014; Feng, Zhenxing/J-7457-2013; Christen, Hans/H-6551-2013 OI Feng, Zhenxing/0000-0001-7598-5076; Christen, Hans/0000-0001-8187-7469 FU DOE (SISGR) [DESC0002633]; King Abdullah University of Science and Technology; Israel Science [1005/11]; U.S. DOE [DE-AC02-06CH11357] FX This work was supported in part by DOE (SISGR DESC0002633) and King Abdullah University of Science and Technology. The authors like to thank the King Fahd University of Petroleum and Minerals in Dharam, Saudi Arabia, for funding the research reported in this paper through the Center for Clean Water Clean Energy at MIT and KFUPM. This research was supported by the Israel Science Foundation under grant no. 1005/11. 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. Authors thank the beamline technical support from Zhan Zhang, Christian M. Schlepuetz and Lynette Jirik at ID-33 of APS. The PLD preparation performed was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Scienti. c User Facilities Division, Office of Basic Energy Sciences, U. S. Department of Energy. NR 57 TC 13 Z9 13 U1 4 U2 63 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. PD MAR PY 2014 VL 7 IS 3 BP 1166 EP 1174 DI 10.1039/c3ee43164a PG 9 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA AD4FR UT WOS:000333203900036 ER PT J AU Oldani, N Tretiak, S Bazan, G Fernandez-Alberti, S AF Oldani, N. Tretiak, S. Bazan, G. Fernandez-Alberti, S. TI Modeling of internal conversion in photoexcited conjugated molecular donors used in organic photovoltaics SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID HETEROJUNCTION SOLAR-CELLS; UNIDIRECTIONAL ENERGY-TRANSFER; DYNAMICS SIMULATIONS; NONLINEAR POLARIZABILITIES; NONADIABATIC COUPLINGS; ELECTRONIC COHERENCE; OPTICAL-EXCITATIONS; VITREOUS SILICA; EFFICIENCY; LOCALIZATION AB Using the Non-Adiabatic Excited States Molecular Dynamics (NA-ESMD) approach, we investigate the ultrafast electronic relaxation in a recently synthesized small molecule donor, p-DTS(PTTh2)(2), which belongs to the dithienosilole-pyridylthiadiazole family of chromophores. In combination with the PC70BM acceptor, p-DTS(PTTh2)(2) can be used to fabricate high efficiency bulk heterojunction organic solar cells. After photoexcitation to its broad high-energy peak in the 3-4 eV range, associated with multiple excited states, p-DTS(PTTh2)(2) undergoes efficient ultrafast internal conversion to its lowest excited state. During this process, about 1-2 eV electronic energy transfers to the vibrational degrees of freedom leading to rapid heating of the molecule. Nevertheless, our simulations do not detect possible bond-breaking or decomposition of the system. This suggests minimal intra-molecular photodamage after photoexcitation to high-energy states in the 3-4 eV region. Calculated radiationless deactivation mainly consists of a sequential mechanism that involves electronic transitions between the current transient state and the corresponding state directly below in energy. Changes in the density of states along the relaxation process lead to pronounced variations and time-dependence of the accumulated populations of the different intermediate electronic excited states. Visualization of the electronic transition density during internal conversion reveals spatial intramolecular delocalization of electronic excitation from the thiophene moieties to the entire chromophore. Finally, our analysis of non-adiabatic coupling vectors suggests characteristic vibrational degrees of freedom coupled to the electronic system during various stages of non-radiative relaxation. C1 [Oldani, N.; Fernandez-Alberti, S.] Univ Nacl Quilmes, Bernal, Argentina. [Tretiak, S.] Los Alamos Natl Lab, Ctr Nonlinear Studies CNLS, Div Theoret, Los Alamos, NM 87545 USA. [Tretiak, S.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol CINT, Los Alamos, NM 87545 USA. [Bazan, G.] Univ Calif Santa Barbara, Dept Chem & Biochem, Ctr Polymers & Organ Solids, Santa Barbara, CA 93106 USA. [Bazan, G.] Univ Calif Santa Barbara, Dept Mat, Ctr Polymers & Organ Solids, Santa Barbara, CA 93106 USA. RP Oldani, N (reprint author), Univ Nacl Quilmes, Roque Saenz Pena 352,B1876BXD, Bernal, Argentina. EM serg@lanl.gov; sfalberti@gmail.com RI Tretiak, Sergei/B-5556-2009; Bazan, Guillermo/B-7625-2014 OI Tretiak, Sergei/0000-0001-5547-3647; FU Energy Efficient Materials (CEEM), Energy Frontier Research Center; U.S. Department of Energy (DOE); Office of Science, Office of Basic Energy Sciences (BES) FX S. T. and G. B. acknowledge support of the Center for Energy Efficient Materials (CEEM), an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (BES). This work was partially supported by CONICET, UNQ, ANPCyT (PICT-20102375) and the National Science Foundation grant no. CHE0239120 and CHE-0808910, and the U. S. Department of Energy and Los Alamos LDRD funds. Los Alamos National Laboratory is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U. S. Department of Energy under contract DE-AC52-06NA25396. We acknowledge support of Center for Integrated Nanotechnology (CINT) and Center for Nonlinear Studies (CNLS) at LANL. NR 96 TC 8 Z9 8 U1 2 U2 44 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. PD MAR PY 2014 VL 7 IS 3 BP 1175 EP 1184 DI 10.1039/c3ee43170c PG 10 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA AD4FR UT WOS:000333203900037 ER PT J AU Lambert, WB Brickey, A Newman, AM Eurek, K AF Lambert, W. Brian Brickey, Andrea Newman, Alexandra M. Eurek, Kelly TI Open-Pit Block-Sequencing Formulations: A Tutorial SO INTERFACES LA English DT Article DE mine scheduling; mine planning; open-pit mining; surface mining; optimization; integer programming applications ID ALGORITHM AB A classical problem in the mining industry for open-pit mines involves scheduling the production of notional three-dimensional production blocks, each containing a predetermined amount of ore and waste. That is, given operational resource constraints on extraction and processing, we seek a net present value-maximizing schedule of when, if ever, to extract each block in a deposit. We present a version of the problem, which some literature refers to as (CPIT). This constrained ultimate pit limit problem (i.e., open-pit production-scheduling problem variant) produces a sequence of blocks to extract given minimum and maximum bounds on production and processing capacity, and geospatial precedences. Our tutorial demonstrates methods to expedite solutions for instances of this model through variable definition, preprocessing, algorithmic choice, and the provision of an initial feasible solution. As such, our paper is relevant for any mining practitioner interested in production scheduling, and any operations researcher interested in a basic introduction before extending the boundaries of algorithmic development in this area. C1 [Lambert, W. Brian; Newman, Alexandra M.] Colorado Sch Mines, Div Econ & Business, Golden, CO 80401 USA. [Brickey, Andrea] Colorado Sch Mines, Dept Min Engn, Golden, CO 80401 USA. [Eurek, Kelly] Natl Renewable Energy Lab, Strateg Energy Anal Ctr, Golden, CO 80401 USA. RP Lambert, WB (reprint author), Colorado Sch Mines, Div Econ & Business, Golden, CO 80401 USA. EM wlambert@mines.edu; abrickey@mymail.mines.edu; newman@mines.edu; keurek@gmail.com NR 27 TC 11 Z9 11 U1 1 U2 6 PU INFORMS PI CATONSVILLE PA 5521 RESEARCH PARK DR, SUITE 200, CATONSVILLE, MD 21228 USA SN 0092-2102 EI 1526-551X J9 INTERFACES JI Interfaces PD MAR-APR PY 2014 VL 44 IS 2 SI SI BP 127 EP 142 DI 10.1287/inte.2013.0731 PG 16 WC Management; Operations Research & Management Science SC Business & Economics; Operations Research & Management Science GA AE1SK UT WOS:000333749800002 ER PT J AU Puente, APY Dickson, J Keiser, DD Sohn, YH AF Puente, A. Paz Y. Dickson, J. Keiser, D. D., Jr. Sohn, Y. H. TI Investigation of interdiffusion behavior in the Mo-Zr binary system via diffusion couple studies SO INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS LA English DT Article DE Interdiffusion; Interdiffusion coefficients; Diffusion couples; Molybdenum; Zirconium ID CR AB Zirconium has recently garnered attention for use as a diffusion barrier between U-Mo metallic nuclear fuels and Al alloy cladding. In order to gain a fundamental understanding of the diffusional interactions, the interdiffusion behavior in the binary Mo-Zr system was investigated via solid-to-solid diffusion couples annealed in the temperature range of 750 to 1050 degrees C. A combination of scanning electron microscopy, X-ray energy dispersive spectroscopy, and electron probe microanalysis were used to examine the microstructure and concentration profiles across the interdiffusion zone. A large beta-Zr (cI2) solid solution layer and a thin (similar to 1-2 mu m) layer of Mo2Zr (cF24) developed in all couples. Parabolic growth constants and concentration dependent interdiffusion coefficients were calculated for the Mo2Zr and Zr solid solution phases, respectively. The pre-exponential factor and activation energy for growth of the Mo2Zr phase were determined to be approximately 6.5 x 10(-15) m(2)/s and 90 kJ/mol, respectively. The interdiffusion coefficient in beta-Zr solid solution decreased with an increase in Mo concentration. Both the pre-exponential factors (2 x 10(-8) m(2)/s at 2 at.% Mo to near 5 x 10(-8) m(2)/s at 9 at.% Mo) and activation energies (140 kJ/mol at 2 at.% Mo to approximately 155 kJ/mol at 9 at.% Mo) of interdiffusion coefficients were determined to increase with an increase in Mo concentration. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Puente, A. Paz Y.; Dickson, J.; Sohn, Y. H.] Univ Cent Florida, Adv Mat Proc & Anal Ctr, Dept Mat Sci Engn, Orlando, FL 32816 USA. [Keiser, D. D., Jr.] Idaho Natl Lab, Nucl Fuels & Mat Div, Scoville, ID 83415 USA. RP Puente, APY (reprint author), Univ Cent Florida, Adv Mat Proc & Anal Ctr, Dept Mat Sci Engn, 4000 Cent Florida Blvd, Orlando, FL 32816 USA. RI Sohn, Yongho/A-8517-2010; Paz y Puente, Ashley/M-2022-2015 OI Sohn, Yongho/0000-0003-3723-4743; Paz y Puente, Ashley/0000-0001-7108-7164 FU U.S. Department of Energy, Office of Nuclear Materials Threat Reduction [NA-212]; National Nuclear Security Administration under DOE-NE Idaho Operations Office [DE-AC07-05ID14517] FX This work was supported by the U.S. Department of Energy, Office of Nuclear Materials Threat Reduction (NA-212) and the National Nuclear Security Administration, under DOE-NE Idaho Operations Office Contract DE-AC07-05ID14517. 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 12 TC 1 Z9 1 U1 1 U2 9 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0263-4368 J9 INT J REFRACT MET H JI Int. J. Refract. Met. Hard Mat. PD MAR PY 2014 VL 43 BP 317 EP 321 DI 10.1016/j.ijrmhm.2013.12.017 PG 5 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AE2FW UT WOS:000333789700048 ER PT J AU He, JY Lu, L Zhao, C Mei, DH Lercher, JA AF He, Jiayue Lu, Lu Zhao, Chen Mei, Donghai Lercher, Johannes A. TI Mechanisms of catalytic cleavage of benzyl phenyl ether in aqueous and apolar phases SO JOURNAL OF CATALYSIS LA English DT Article DE Lignin; Hydrolysis; Hydrogenolysis; Ether cleavage; Alkylation; Pyrolysis ID SYNCHRONOUS-TRANSIT METHOD; SUPERCRITICAL WATER; ACID CATALYSIS; ARYL ETHERS; LIGNIN; HYDROGENOLYSIS; CONVERSION; PYROLYSIS; PHENOLS; SOLVENT AB Catalytic pathways for the cleavage of ether bonds in benzyl phenyl ether (BPE) in liquid phase using Ni- and zeolite-based catalysts are explored. In the absence of catalysts, the C-O bond is selectively cleaved in water by hydrolysis, forming phenol and benzyl alcohol as intermediates, followed by alkylation. The hydronium ions catalyzing the reactions are provided by the dissociation of water at 523 K. Upon addition of HZSM-5, rates of hydrolysis and alkylation are markedly increased in relation to proton concentrations. In the presence of Ni/SiO2, the selective hydrogenolysis dominates for cleaving the C-aliphatic-O bond. catalyzed by the dual-functional Ni/HZSM-5, hydrogenolysis occurs as the major route rather than hydrolysis (minor route). In apolar undecane, the non-catalytic thermal pyrolysis route dominates. Hydrogenolysis of BPE appears to be the major reaction pathway in undecane in the presence of Ni/SiO2 or Ni/HZSM-5, almost completely suppressing radical reactions. Density functional theory (DFT) calculations strongly support the proposed C-O bond cleavage mechanisms on BPE in aqueous and apolar phases. These calculations show that BPE is initially protonated and subsequently hydrolyzed in the aqueous phase. DFT calculations suggest that the radical reactions in non-polar solvents lead to primary benzyl and phenoxy radicals in undecane, which leads to heavier condensation products as long as metals are absent for providing dissociated hydrogen. (C) 2013 Elsevier Inc. All rights reserved. C1 [He, Jiayue; Lu, Lu; Zhao, Chen; Lercher, Johannes A.] Tech Univ Munich, Dept Chem, D-85747 Garching, Germany. [He, Jiayue; Lu, Lu; Zhao, Chen; Lercher, Johannes A.] Tech Univ Munich, Catalysis Res Ctr, D-85747 Garching, Germany. [Mei, Donghai; Lercher, Johannes A.] Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA. RP Zhao, C (reprint author), Tech Univ Munich, Dept Chem, Lichtenbergstr 4, D-85747 Garching, Germany. EM chenzhao@mytum.de; johannes.lercher@ch.tum.de RI Mei, Donghai/A-2115-2012; Mei, Donghai/D-3251-2011; He, Jiayue/P-9867-2016 OI Mei, Donghai/0000-0002-0286-4182; He, Jiayue/0000-0002-6498-9538 FU graduate school (Faculty Graduate Center of Chemistry) of the Technische Universitat Munchen; Elite Network of Bavaria (Graduate School NanoCat); US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences Biosciences; DOE's Office of Biological and Environmental Research FX J.H. gratefully acknowledges for the support from the graduate school (Faculty Graduate Center of Chemistry) of the Technische Universitat Munchen and the Elite Network of Bavaria (Graduate School NanoCat). D.M. and J.A.L. thank for the support from the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. Computing time was granted by the grand challenge of computational catalysis of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) and by the National Energy Research Scientific Computing Center (NERSC). EMSL is a national scientific user facility located at Pacific Northwest National Laboratory (PNNL) and sponsored by DOE's Office of Biological and Environmental Research. NR 39 TC 24 Z9 26 U1 12 U2 182 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9517 EI 1090-2694 J9 J CATAL JI J. Catal. PD MAR PY 2014 VL 311 BP 41 EP 51 DI 10.1016/j.jcat.2013.10.024 PG 11 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA AD8AS UT WOS:000333489500006 ER PT J AU Balakrishnan, K AF Balakrishnan, Kaushik TI Diffusion- and Kinetics-Limited Combustion of an Explosively Dispersed Aluminum Particle SO JOURNAL OF PROPULSION AND POWER LA English DT Article ID DETONATION C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. RP Balakrishnan, K (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, MS 50A-1148,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM kaushikb258@gmail.com NR 14 TC 1 Z9 2 U1 3 U2 7 PU AMER INST AERONAUTICS ASTRONAUTICS PI RESTON PA 1801 ALEXANDER BELL DRIVE, STE 500, RESTON, VA 22091-4344 USA SN 0748-4658 EI 1533-3876 J9 J PROPUL POWER JI J. Propul. Power PD MAR-APR PY 2014 VL 30 IS 2 BP 522 EP 526 DI 10.2514/1.B35059 PG 5 WC Engineering, Aerospace SC Engineering GA AD8ST UT WOS:000333536600028 ER PT J AU Medikonda, M Muthinti, GR Fronheiser, J Kamineni, V Wormington, M Matney, K Adam, TN Karapetrova, E Diebold, AC AF Medikonda, Manasa Muthinti, Gangadhara R. Fronheiser, Jody Kamineni, Vimal Wormington, Matthew Matney, Kevin Adam, Thomas N. Karapetrova, Evguenia Diebold, Alain C. TI Measurement of periodicity and strain in arrays of single crystal silicon and pseudomorphic Si1-xGex/Si fin structures using x-ray reciprocal space maps SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article ID SURFACE GRATINGS; DIFFRACTION AB Characterization of the periodicity and strain state of an array of lithographically patterned silicon and silicon-germanium alloy on silicon fins using reciprocal space mapping of Bragg diffraction peaks is presented. Various patterned structures with different pitch values of 90 nm, 65 nm, and 42 nm have been studied and data for the 42 nm pitch sample is discussed in this paper. Diffraction from fin arrays is treated kinematically analogous to periodic surface grating structures. Diffraction from the symmetric 004 planes is used to calculate pitch and analyze the pitch walking pattern which appears as harmonic peaks on either side of the fin peaks. Pitch walking refers to the presence of two periodicities in the array due to the lithographic process. Longitudinal scans are evaluated at the fin peak positions to probe into the shape of the fin structure. Nonrectangular fin shapes resulted in peak splitting of the longitudinal scans of higher order fin peaks indicating a finite sidewall slope. Asymmetric 224 planes were analyzed to study the quality and strain-relaxation of the fin structures both parallel and perpendicular to the fin length using reciprocal space mapping techniques. (C) 2014 American Vacuum Society. C1 [Medikonda, Manasa; Muthinti, Gangadhara R.; Adam, Thomas N.; Diebold, Alain C.] SUNY Albany, Coll Nanoscale Sci & Engn, Albany, NY 12203 USA. [Fronheiser, Jody; Kamineni, Vimal] GLOBALFOUNDRIES, Albany, NY 12203 USA. [Wormington, Matthew; Matney, Kevin] Jordan Valley Semicond Inc, Austin, TX 78744 USA. [Karapetrova, Evguenia] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Medikonda, M (reprint author), SUNY Albany, Coll Nanoscale Sci & Engn, Albany, NY 12203 USA. EM mmedikonda@albany.edu FU Center for Nanoscale Metrology; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX The authors acknowledge TEL Technology Center, America, for their generous contribution of analysis time on the BML tool. M. Medikonda gratefully acknowledges funding from the Center for Nanoscale Metrology. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The authors acknowledge the integration support of Jeremy Wahl, Kerem Akarvardar, and Steven Bentley along with the management support from William Taylor and Ajey Jacob from GLOBALFOUNDRIES. NR 18 TC 4 Z9 4 U1 2 U2 5 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD MAR PY 2014 VL 32 IS 2 AR 021804 DI 10.1116/1.4863316 PG 9 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA AD9BW UT WOS:000333560600049 ER PT J AU Song, T Park, Y Shamputa, IC Seo, S Lee, SY Jeon, HS Choi, H Lee, M Glynne, RJ Barnes, SW Walker, JR Batalov, S Yusim, K Feng, SH Tung, CS Theiler, J Via, LE Boshoff, HIM Murakami, KS Korber, B Barry, CE Cho, SN AF Song, Taeksun Park, Yumi Shamputa, Isdore Chola Seo, Sunghwa Lee, Sun Young Jeon, Han-Seung Choi, Hongjo Lee, Myungsun Glynne, Richard J. Barnes, S. Whitney Walker, John R. Batalov, Serge Yusim, Karina Feng, Shihai Tung, Chang-Shung Theiler, James Via, Laura E. Boshoff, Helena I. M. Murakami, Katsuhiko S. Korber, Bette Barry, Clifton E., III Cho, Sang-Nae TI Fitness costs of rifampicin resistance in Mycobacterium tuberculosis are amplified under conditions of nutrient starvation and compensated by mutation in the beta ' subunit of RNA polymerase SO MOLECULAR MICROBIOLOGY LA English DT Article ID DRUG-RESISTANCE; ANTIBIOTIC-RESISTANCE; TRANSCRIPTION ELONGATION; GENE-EXPRESSION; SOUTH-AFRICA; EVOLUTION; PPGPP; ADAPTATION; MECHANISMS; VIRULENCE AB Rifampicin resistance, a defining attribute of multidrug-resistant tuberculosis, is conferred by mutations in the subunit of RNA polymerase. Sequencing of rifampicin-resistant (RIF-R) clinical isolates of Mycobacterium tuberculosis revealed, in addition to RIF-R mutations, enrichment of potential compensatory mutations around the double-psi -barrel domain of the subunit comprising the catalytic site and the exit tunnel for newly synthesized RNA. Sequential introduction of the resistance allele followed by the compensatory allele in isogenic Mycobacterium smegmatis showed that these mutations respectively caused and compensated a starvation enhanced growth defect by altering RNA polymerase activity. While specific combinations of resistance and compensatory alleles converged in divergent lineages, other combinations recurred among related isolates suggesting transmission of compensated RIF-R strains. These findings suggest nutrient poor growth conditions impose larger selective pressure on RIF-R organisms that results in the selection of compensatory mutations in a domain involved in catalysis and starvation control of RNA polymerase transcription. C1 [Song, Taeksun; Park, Yumi; Seo, Sunghwa; Lee, Sun Young; Jeon, Han-Seung; Choi, Hongjo; Lee, Myungsun; Barry, Clifton E., III; Cho, Sang-Nae] Int TB Res Ctr, Chang Won, South Korea. [Shamputa, Isdore Chola; Via, Laura E.; Boshoff, Helena I. M.; Barry, Clifton E., III] NIAID, TB Res Sect, NIH, Bethesda, MD 20892 USA. [Glynne, Richard J.; Barnes, S. Whitney; Walker, John R.; Batalov, Serge] Novartis Res Fdn, Genom Inst, San Diego, CA USA. [Yusim, Karina; Feng, Shihai; Tung, Chang-Shung; Theiler, James; Korber, Bette] Los Alamos Natl Lab, Los Alamos, NM USA. [Murakami, Katsuhiko S.] Penn State Univ, Ctr RNA Mol Biol, Dept Biochem & Mol Biol, University Pk, PA 16802 USA. [Cho, Sang-Nae] Yonsei Univ, Coll Med, Dept Microbiol, Seoul, South Korea. [Cho, Sang-Nae] Yonsei Univ, Coll Med, Inst Immunol & Immunol Dis, Seoul, South Korea. RP Barry, CE (reprint author), Int TB Res Ctr, Chang Won, South Korea. EM cbarry@niaid.nih.gov; raycho@yonsei.kr RI Barry, III, Clifton/H-3839-2012 OI Via, Laura/0000-0001-6074-9521; FU NIAID, NIH; Korean Centers for Disease Control of the Korean Ministry of Health and Welfare; NIH [GM087350-A1] FX This work was supported (in part) by the Intramural Research Program of the NIAID, NIH, (in part) by continuous support from the Korean Centers for Disease Control of the Korean Ministry of Health and Welfare to the International Tuberculosis Research Center, and (in part) by NIH Grant GM087350-A1 (K. S. M.). We would like to thank the subjects who enrolled in this research study for their active participation and donation of specimens (ClinicalTrials.gov identifier: NCT00341601) and the clinical staff who supported that trial. The authors of this study declare that they have no conflicts of interest with respect to any aspect of this research. NR 47 TC 14 Z9 14 U1 0 U2 10 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0950-382X EI 1365-2958 J9 MOL MICROBIOL JI Mol. Microbiol. PD MAR PY 2014 VL 91 IS 6 BP 1106 EP 1119 DI 10.1111/mmi.12520 PG 14 WC Biochemistry & Molecular Biology; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA AD7LV UT WOS:000333446300006 PM 24417450 ER PT J AU Poskas, P Narkuniene, A Grigaliuniene, D Finsterle, S AF Poskas, Povilas Narkuniene, Asta Grigaliuniene, Dalia Finsterle, Stefan TI COMPARISON OF RADIONUCLIDE RELEASES FROM A CONCEPTUAL GEOLOGICAL REPOSITORY FOR RBMK-1500 AND BWR SPENT NUCLEAR FUEL SO NUCLEAR TECHNOLOGY LA English DT Article DE geological repository; RBMK and BWR reactor spent nuclear fuel; radionuclide migration AB Approximately 22 600 spent nuclear fuel (SNF) assemblies originating from the RBMK-1500 reactor of the Ignalina nuclear power plant in Lithuania need to be managed and disposed of safely. Generic investigations of RBMK-1500 SNF disposal options in Lithuania were initiated. This paper presents insights on RBMK-1500 SNF disposal in crystalline rocks gained during participation in the International Atomic Energy Agency Coordinated Research Project "The Use of Numerical Models in Support of Site Characterization and Performance Assessment Studies for Geological Repositories," as well as in the Lithuanian Science Development Program. The research was focused on the analysis of disposal behavior of different SNF types under generic geological conditions and for a one-canister defect scenario with two different corrosion rates. A comparison of peak fluxes from the near field for Lithuanian RBMK-1500 and Swedish boiling water reactor SNF revealed differences that are not directly proportional to the differences in SNF inventory. C1 [Poskas, Povilas; Narkuniene, Asta; Grigaliuniene, Dalia] Lithuanian Energy Inst, Nucl Engn Lab, LT-44403 Kaunas, Lithuania. [Finsterle, Stefan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Poskas, P (reprint author), Lithuanian Energy Inst, Nucl Engn Lab, 3 Breslaujos Str, LT-44403 Kaunas, Lithuania. EM poskas@mail.lei.lt RI Finsterle, Stefan/A-8360-2009 OI Finsterle, Stefan/0000-0002-4446-9906 FU IAEA Coordinated Research Project [13370/RBF]; Lithuanian Science Development Program; U.S. Department of Energy [DE-AC02-05CH11231] FX This work has partly been funded by the IAEA Coordinated Research Project (13370/RBF) and the Lithuanian Science Development Program. The last coauthor was supported, in part, by the U.S. Department of Energy under contract DE-AC02-05CH11231. NR 14 TC 2 Z9 2 U1 0 U2 2 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5450 EI 1943-7471 J9 NUCL TECHNOL JI Nucl. Technol. PD MAR PY 2014 VL 185 IS 3 BP 322 EP 335 PG 14 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AE1LF UT WOS:000333730100008 ER PT J AU Zhang, SW Song, YT Wang, ZW Ji, X Daly, E Kalish, M Lu, S Du, SS Liu, XF Feng, CL Yang, H Wang, SK AF Zhang Shanwen Song Yuntao Wang Zhongwei Ji Xiang Daly, E. Kalish, M. Lu Su Du Shuangsong Liu Xufeng Feng Changle Yang Hong Wang Songke TI Design of Tokamak ELM Coil Support in High Nuclear Heat Environment SO PLASMA SCIENCE & TECHNOLOGY LA English DT Article DE tokomak; ELM coil; rigid support; flexible support; high nuclear heat AB In Tokomak, the support of the ELM coil, which is close to the plasma and subject to high radiation level, high temperature and high magnetic field, is used to transport and bear the thermal load due to thermal expansion and the alternating electromagnetic force generated by high magnetic field and AC current in the coil. According to the feature of ITER ELM coil, the mechanical performance of rigid and flexible supports under different high nuclear heat levels is studied. Results show that flexible supports have more excellent performance in high nuclear heat condition than rigid supports. Concerning thermal and electromagnetic (EM) loads, optimized results further prove that flexible supports have better mechanical performance than rigid ones. Through these studies, reasonable support design can be provided for the ELM coils or similar coils in Tokamak based on the nuclear heat level. C1 [Zhang Shanwen; Song Yuntao; Wang Zhongwei; Ji Xiang; Lu Su; Du Shuangsong; Liu Xufeng; Feng Changle; Yang Hong; Wang Songke] Chinese Acad Sci, Inst Plasma Phys, Hefei 200031, Peoples R China. [Daly, E.] ITER Org, F-13115 St Paul Les Durance, France. [Kalish, M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Zhang, SW (reprint author), Chinese Acad Sci, Inst Plasma Phys, Hefei 200031, Peoples R China. EM zhangsw@ipp.ac.cn NR 14 TC 0 Z9 1 U1 2 U2 8 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1009-0630 J9 PLASMA SCI TECHNOL JI Plasma Sci. Technol. PD MAR PY 2014 VL 16 IS 3 BP 300 EP 304 DI 10.1088/1009-0630/16/3/23 PG 5 WC Physics, Fluids & Plasmas SC Physics GA AE1RO UT WOS:000333747400022 ER PT J AU Olsson, RH Hattar, K Homeijer, SJ Wiwi, M Eichenfield, M Branch, DW Baker, MS Nguyen, J Clark, B Bauer, T Friedmann, TA AF Olsson, Roy H., III Hattar, Khalid Homeijer, Sara J. Wiwi, Michael Eichenfield, Matthew Branch, Darren W. Baker, Michael S. Nguyen, Janet Clark, Blythe Bauer, Todd Friedmann, Thomas A. TI A high electromechanical coupling coefficient SHO Lamb wave lithium niobate micromechanical resonator and a method for fabrication SO SENSORS AND ACTUATORS A-PHYSICAL LA English DT Article DE Contour mode resonator; Coupling coefficient; Lamb wave resonator; Lithium niobate; Microresonator ID SILICON RESONATORS; THIN; TECHNOLOGIES; FILTERS AB We present a high coupling coefficient, k(eff)(2), micromechanical resonator based on the propagation of SHO Lamb waves in thin, suspended plates of single crystal X-cut lithium niobate (LiNbO3). The thin plates are fabricated using ion implantation of He to create a damaged layer of LiNbO3 below the wafer surface. This damaged layer is selectively wet etched in a hydrofluoric (HF) acid based chemistry to form thin, suspended plates of LiNbO3 without the wafer bonding, layer fracturing and chemical mechanical polishing in previously reported LiNbO3 microfabrication approaches. The highest coupling coefficient is found for resonators with acoustic propagation rotated 170 degrees from the y-axis, where a fundamental mode SHO Lamb wave resonator with a plate width of 20 mu m and a corresponding resonant frequency of 101 MHz achieves a k(eff)(2) of 12.4%, a quality factor of 1300 and a resonator figure of merit (M) of 185. The k(eff)(2). and M are among the highest reported for micromechanical resonators. (C) 2014 Elsevier B.V. All rights reserved. C1 [Olsson, Roy H., III; Eichenfield, Matthew; Baker, Michael S.; Nguyen, Janet] Sandia Natl Labs, MEMS Technol Dept, Livermore, CA 94550 USA. [Hattar, Khalid; Clark, Blythe] Sandia Natl Labs, Radiat Solid Interact Dept, Livermore, CA 94550 USA. [Homeijer, Sara J.; Wiwi, Michael; Bauer, Todd; Friedmann, Thomas A.] Sandia Natl Labs, MESAFAB Operat Dept, Livermore, CA 94550 USA. [Branch, Darren W.] Sandia Natl Labs, Biosensors & Nanomat Dept, Livermore, CA 94550 USA. RP Olsson, RH (reprint author), Sandia Natl Labs, MEMS Technol Dept, Livermore, CA 94550 USA. EM rholsso@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 26 TC 13 Z9 13 U1 4 U2 33 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0924-4247 J9 SENSOR ACTUAT A-PHYS JI Sens. Actuator A-Phys. PD MAR 1 PY 2014 VL 209 BP 183 EP 190 DI 10.1016/j.sna.2014.01.033 PG 8 WC Engineering, Electrical & Electronic; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA AE2DK UT WOS:000333783300025 ER PT J AU LePoire, DJ AF LePoire, David J. TI Review of Potential Characterization Techniques in Approaching Energy and Sustainability SO SUSTAINABILITY LA English DT Article DE energy efficiency; integrated economic indices; research and development; environmental impacts; foresight techniques ID SCIENCE AB Societal prosperity is linked to sustainable energy and a healthy environment. However, tough global challenges include increased demand for fossil fuels, while approaching peak oil production and uncertainty in the environmental impacts of energy generation. Recently, energy use was identified as a major component of economic productivity, along with capital and labor. Other environmental resources and impacts may be nearing environmental thresholds, as indicated by nine planetary environmental boundaries, many of which are linked to energy production and use. Foresight techniques could be applied to guide future actions which include emphasis on (1) energy efficiency to bridge the transition to a renewable energy economy; (2) continued research, development, and assessment of new technologies; (3) improved understanding of environment impacts including natural capital use and degradation; (4) exploration of GDP alternative measures that include both economic production and environmental impacts; and (5) international cooperation and awareness of longer-term opportunities and their associated potential scenarios. Examples from the U.S. and the international community illustrate challenges and potential. C1 Argonne Natl Lab, Div Environm Sci, Argonne, IL 60439 USA. RP LePoire, DJ (reprint author), Argonne Natl Lab, Div Environm Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM dlepoire@anl.gov FU U.S. Department of Energy [DE-AC02-06CH171357] FX Work supported by the U.S. Department of Energy under Contract No. DE-AC02-06CH171357. The views expressed are those of the author and do not reflect the official policy or position of Argonne, UChicago-Argonne, the University of Chicago, or DOE. NR 55 TC 1 Z9 1 U1 1 U2 20 PU MDPI AG PI BASEL PA POSTFACH, CH-4005 BASEL, SWITZERLAND SN 2071-1050 J9 SUSTAINABILITY-BASEL JI Sustainability PD MAR PY 2014 VL 6 IS 3 BP 1489 EP 1503 DI 10.3390/su6031489 PG 15 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Environmental Sciences; Environmental Studies SC Science & Technology - Other Topics; Environmental Sciences & Ecology GA AE0SC UT WOS:000333675500020 ER PT J AU Satchwell, A Hledik, R AF Satchwell, Andrew Hledik, Ryan TI Analytical frameworks to incorporate demand response in long-term resource planning SO UTILITIES POLICY LA English DT Article DE Utility planning; Demand response; Integrated resource planning AB Many utilities are obligated by state regulatory or legislative requirements to consider demand response (DR) as part of their resource planning process. There are several ways to incorporate DR into resource planning modeling and each has its advantages and disadvantages. We explore the current analytical frameworks for incorporating DR into long-term resource planning. We also consider whether current approaches accurately and realistically model DR resources in capacity expansion and production cost models and whether barriers exist to incorporating DR into resource planning models in a more robust fashion. We identify 10 specific recommendations for enhancing and expanding the current approaches. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Satchwell, Andrew] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Hledik, Ryan] Brattle Grp, San Francisco, CA 94105 USA. RP Satchwell, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,Mailstop 90R4000, Berkeley, CA 94720 USA. EM ASatchwell@lbl.gov; Ryan.Hledik@Brattle.com FU National Electricity Delivery Division of the U.S. Department of Energy's Office of Electricity Delivery and Energy Reliability (OE) [DE-AC02-05CH11231] FX The work described in this report was funded by the National Electricity Delivery Division of the U.S. Department of Energy's Office of Electricity Delivery and Energy Reliability (OE) under Contract No. DE-AC02-05CH11231. The authors would like to thank Larry Mansueti (DOE OE) for his support of this project. The authors would also like to thank Galen Barbose, Peter Cappers, Emily Fisher and Charles Goldman of Lawrence Berkeley National Laboratory, and Ahmad Faruqui, Frank Graves, and Kathleen Spees of The Brattle Group, for their thoughtful comments on earlier drafts. NR 14 TC 4 Z9 4 U1 2 U2 3 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0957-1787 EI 1878-4356 J9 UTIL POLICY JI Util. Policy PD MAR PY 2014 VL 28 BP 73 EP 81 DI 10.1016/j.jup.2013.12.003 PG 9 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA AE2DI UT WOS:000333783100008 ER PT J AU Bailey, DH Borwein, J AF Bailey, David H. Borwein, Jonathan TI Pi Day Is Upon Us Again and We Still Do Not Know if Pi Is Normal SO AMERICAN MATHEMATICAL MONTHLY LA English DT Article ID COMPUTATION; CONSTANTS; NUMBERS AB The digits of pi have intrigued both the public and research mathematicians from the beginning of time. This article briefly reviews the history of this venerable constant, and then describes some recent research on the question of whether pi is normal, or, in other words,. whether its digits are statistically random in a specific sense. C1 [Bailey, David H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Borwein, Jonathan] Univ Newcastle, Ctr Comp Assisted Res Math & Its Applicat CARMA, Callaghan, NSW 2308, Australia. RP Bailey, DH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM DHBailey@lbl.gov; jonathan.borwein@newcastle.edu.au FU Office of Computational and Technology Research, Division of Mathematical, Information, and Computational Sciences of the U.S. Department of Energy [DE-AC02-05CH11231] FX David H. Bailey was supported in part by the Director, Office of Computational and Technology Research, Division of Mathematical, Information, and Computational Sciences of the U.S. Department of Energy, under contract number DE-AC02-05CH11231. NR 28 TC 1 Z9 1 U1 0 U2 2 PU MATHEMATICAL ASSOC AMER PI WASHINGTON PA 1529 18TH STREET NW, WASHINGTON, DC 20036 USA SN 0002-9890 EI 1930-0972 J9 AM MATH MON JI Am. Math. Mon. PD MAR PY 2014 VL 121 IS 3 BP 191 EP 206 DI 10.4169/amer.math.monthly.121.03.191 PG 16 WC Mathematics SC Mathematics GA AD0KD UT WOS:000332922000001 ER PT J AU Medin, Z Cumming, A AF Medin, Zach Cumming, Andrew TI A SIGNATURE OF CHEMICAL SEPARATION IN THE COOLING LIGHT CURVES OF TRANSIENTLY ACCRETING NEUTRON STARS SO ASTROPHYSICAL JOURNAL LETTERS LA English DT Article DE dense matter; stars: neutron; X-rays: binaries; X-rays: general ID CRUST; CHALLENGE; EVOLUTION; RELEASE; ENERGY; MODELS; OCEANS; STATE; PHASE AB We show that convection driven by chemical separation can significantly affect the cooling light curves of accreting neutron stars after they go into quiescence. We calculate the thermal relaxation of the neutron star ocean and crust including the thermal and compositional fluxes due to convection. After the inward propagating cooling wave reaches the base of the neutron star ocean, the ocean begins to freeze, driving chemical separation. The resulting convection transports heat inward, giving much faster cooling of the surface layers than found assuming the ocean cools passively. The light curves including convection show a rapid drop in temperature weeks after outburst. Identifying this signature in observed cooling curves would constrain the temperature and composition of the ocean as well as offer a real time probe of the freezing of a classical multicomponent plasma. C1 [Medin, Zach] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Cumming, Andrew] McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. RP Medin, Z (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM zmedin@lanl.gov; cumming@physics.mcgill.ca FU NSERC; LANL Director's Postdoctoral Fellowship; National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory; [DE-AC52-06NA25396] FX We thank Chuck Horowitz, Nathalie Degenaar, and Chris Fontes for useful discussions. A. C. is supported by an NSERC Discovery Grant and is an associate member of the CIFAR Cosmology and Gravity program. We are grateful for the support of an International Team on Neutron Star Crusts by ISSI in Bern. Z.M. was supported by a LANL Director's Postdoctoral Fellowship. This research was carried out in part under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory and supported by Contract No. DE-AC52-06NA25396. NR 22 TC 11 Z9 11 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 2041-8205 EI 2041-8213 J9 ASTROPHYS J LETT JI Astrophys. J. Lett. PD MAR 1 PY 2014 VL 783 IS 1 AR L3 DI 10.1088/2041-8205/783/1/L3 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AC4UB UT WOS:000332515500003 ER PT J AU Paul, KB Hedge, JM Rotroff, DM Hornung, MW Crofton, KM Simmons, SO AF Paul, Katie B. Hedge, Joan M. Rotroff, Daniel M. Hornung, Michael W. Crofton, Kevin M. Simmons, Steven O. TI Development of a Thyroperoxidase Inhibition Assay for High-Throughput Screening SO CHEMICAL RESEARCH IN TOXICOLOGY LA English DT Article ID HORMONE-DISRUPTING CHEMICALS; THYROID PEROXIDASE-ACTIVITY; IN-VITRO; MATERNAL HYPOTHYROXINEMIA; NEUROPSYCHOLOGICAL DEVELOPMENT; EARLY-PREGNANCY; IODINE SUPPLEMENTATION; SOY ISOFLAVONES; RISK-ASSESSMENT; MECHANISM AB High-throughput screening (HTPS) assays to detect inhibitors of thyroperoxidase (TPO), the enzymatic catalyst for thyroid hormone (TH) synthesis, are not currently available. Herein, we describe the development of a HTPS TPO inhibition assay. Rat thyroid microsomes and a fluorescent peroxidase substrate, Amplex UltraRed (AUR), were employed in an end-point assay for comparison to the existing kinetic guaiacol (GUA) oxidation assay. Following optimization of assay metrics, including Z', dynamic range, and activity, using methimazole (MMI), the assay was tested with a 21-chemical training set. The potency of MMI-induced TPO inhibition was greater with AUR compared to GUA. The dynamic range and Z' score with MMI were as follows: 127-fold and 0.62 for the GUA assay, 18-fold and 0.86 for the 96-well AUR assay, and 11.5-fold and 0.93 for the 384-well AUR assay. The 384-well AUR assay drastically reduced animal use, requiring one-tenth of the rat thyroid microsomal protein needed for the GUA 96-well format assay. Fourteen chemicals inhibited TPO, with a relative potency ranking of MMI > ethylene thiourea > 6-propylthiouracil > 2,2',4,4'-tetrahydroxy-benzophenone > 2-mercaptobenzothiazole > 3-amino-1,2,4-triazole > genistein > 4-propoxyphenol > sulfamethazine > daidzein > 4-nonylphenol > triclosan > iopanoic acid > resorcinol. These data demonstrate the capacity of this assay to detect diverse TPO inhibitors. Seven chemicals acted as negatives: 2-hydroxy-4-methoxybenzophenone, dibutylphthalate, diethylhexylphthalate, diethylphthalate, 3,5-dimethylpyrazole-1-methanol, methyl 2-methyl-benzoate, and sodium perchlorate. This assay could be used to screen large numbers of chemicals as an integral component of a tiered TH-disruptor screening approach. C1 [Paul, Katie B.] US EPA, Oak Ridge Inst Sci Educ, Res Triangle Pk, NC 27711 USA. [Paul, Katie B.; Hedge, Joan M.; Simmons, Steven O.] US EPA, Integrated Syst Toxicol Div, Res Triangle Pk, NC 27711 USA. [Hornung, Michael W.] US EPA, Midcontinent Ecol Div, Natl Hlth & Environm Effects Res Lab, Res Triangle Pk, NC 27711 USA. [Rotroff, Daniel M.; Crofton, Kevin M.] US EPA, Natl Ctr Computat Toxicol, Off Res & Dev, Res Triangle Pk, NC 27711 USA. RP Simmons, SO (reprint author), US EPA, Integrated Syst Toxicol Div, Res Triangle Pk, NC 27711 USA. EM simmons.steve@epa.gov RI Crofton, Kevin/J-4798-2015; OI Crofton, Kevin/0000-0003-1749-9971; Simmons, Steven/0000-0001-9079-1069 FU Oak Ridge Institute for Science and Education; U.S. Environmental Protection Agency FX K.B.P. was supported by an Oak Ridge Institute for Science and Education Postdoctoral Fellowship during this work. The information in this document was funded in part by the U.S. Environmental Protection Agency. It was subjected to review by the National Health and Environmental Effects Research Laboratory and was approved for publication. Approval does not signify that the contents reflect the views of the Agency, nor does mention of trade names of commercial products constitute endorsement or recommendation for use. NR 76 TC 17 Z9 17 U1 4 U2 27 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0893-228X EI 1520-5010 J9 CHEM RES TOXICOL JI Chem. Res. Toxicol. PD MAR PY 2014 VL 27 IS 3 SI SI BP 387 EP 399 DI 10.1021/tx400310w PG 13 WC Chemistry, Medicinal; Chemistry, Multidisciplinary; Toxicology SC Pharmacology & Pharmacy; Chemistry; Toxicology GA AD3MH UT WOS:000333142700008 PM 24383450 ER PT J AU Ilsche, T Schuchart, J Cope, J Kimpe, D Jones, T Knupfer, A Iskra, K Ross, R Nagel, WE Poole, S AF Ilsche, Thomas Schuchart, Joseph Cope, Jason Kimpe, Dries Jones, Terry Knuepfer, Andreas Iskra, Kamil Ross, Robert Nagel, Wolfgang E. Poole, Stephen TI Optimizing I/O forwarding techniques for extreme-scale event tracing SO CLUSTER COMPUTING-THE JOURNAL OF NETWORKS SOFTWARE TOOLS AND APPLICATIONS LA English DT Article DE Event tracing; I/O forwarding; Atomic append ID PERFORMANCE AB Programming development tools are a vital component for understanding the behavior of parallel applications. Event tracing is a principal ingredient to these tools, but new and serious challenges place event tracing at risk on extreme-scale machines. As the quantity of captured events increases with concurrency, the additional data can overload the parallel file system and perturb the application being observed. In this work we present a solution for event tracing on extreme-scale machines. We enhance an I/O forwarding software layer to aggregate and reorganize log data prior to writing to the storage system, significantly reducing the burden on the underlying file system. Furthermore, we introduce a sophisticated write buffering capability to limit the impact. To validate the approach, we employ the Vampir tracing toolset using these new capabilities. Our results demonstrate that the approach increases the maximum traced application size by a factor of 5x to more than 200,000 processes. C1 [Ilsche, Thomas; Knuepfer, Andreas; Nagel, Wolfgang E.] Tech Univ Dresden ZIH, D-01062 Dresden, Germany. [Cope, Jason; Kimpe, Dries; Iskra, Kamil; Ross, Robert] Argonne Natl Lab, Argonne, IL 60439 USA. [Schuchart, Joseph; Jones, Terry; Poole, Stephen] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Ilsche, T (reprint author), Tech Univ Dresden ZIH, D-01062 Dresden, Germany. EM thomas.ilsche@tu-dresden.de; schuchartj@ornl.gov; copej@mcs.anl.gov; dkimpe@mcs.anl.gov; trj@ornl.gov; andreas.knuepfer@tu-dresden.de; iskra@mcs.anl.gov; rross@mcs.anl.gov; wolfgang.nagel@tu-dresden.de; spoole@ornl.gov OI Jones, Terry/0000-0003-2187-9707 FU DOE Office of Science; National Nuclear Security Administration (NNSA); Office of Science of the U.S. Department of Energy [DE-AC02-06CH11357, DE-AC05-00OR22725]; National Science Foundation (NSF) [NSF-0937928, NSF-0724599]; German Research Foundation (DFG) in the Collaborative Research Center 912 "Highly Adaptive Energy-Efficient Computing"; ORNL; UT-Battelle FX We thank Ramanan Sankaran (ORNL) for providing a working version of S3D as well as a benchmark problem set for JaguarPF. We are grateful to Matthias Jurenz for his assistance on VampirTrace as well as Matthias Weber and Ronald Geisler for their support for Vampir. The IOFSL project is supported by the DOE Office of Science and National Nuclear Security Administration (NNSA). This research used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory and the Oak Ridge Leadership Computing Facility at Oak Ridge National Laboratory, which are supported by the Office of Science of the U.S. Department of Energy under contracts DE-AC02-06CH11357 and DE-AC05-00OR22725, respectively. This work was supported in part by the National Science Foundation (NSF) through NSF-0937928 and NSF-0724599. This work is supported in a part by the German Research Foundation (DFG) in the Collaborative Research Center 912 "Highly Adaptive Energy-Efficient Computing".; The general enhancement of the VampirTrace and Vampir tools at TU Dresden for full-size runs on large-scale HPC systems is supported with funding and cooperation by ORNL and UT-Battelle. NR 42 TC 1 Z9 2 U1 1 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1386-7857 EI 1573-7543 J9 CLUSTER COMPUT JI Cluster Comput. PD MAR PY 2014 VL 17 IS 1 BP 1 EP 18 DI 10.1007/s10586-013-0272-9 PG 18 WC Computer Science, Information Systems; Computer Science, Theory & Methods SC Computer Science GA AD3BE UT WOS:000333111000001 ER PT J AU Wang, GC Carr, TR Ju, YW Li, CF AF Wang, Guochang Carr, Timothy R. Ju, Yiwen Li, Chaofeng TI Identifying organic-rich Marcellus Shale lithofacies by support vector machine classifier in the Appalachian basin SO COMPUTERS & GEOSCIENCES LA English DT Article DE Shale lithofacies; Support vector machine; Classification; Marcellus Shale ID MISSISSIPPIAN BARNETT SHALE; FORT-WORTH BASIN; NEURAL-NETWORK; PREDICTION; IDENTIFICATION; FACIES; TEXAS; LOGS; WELL AB Unconventional shale reservoirs as the result of extremely low matrix permeability, higher potential gas productivity requires not only sufficient gas-in-place, but also a high concentration of brittle minerals (silica and/or carbonate) that is amenable to hydraulic fracturing. Shale lithofacies is primarily defined by mineral composition and organic matter richness, and its representation as a 3-D model has advantages in recognizing productive zones of shale-gas reservoirs, designing horizontal wells and stimulation strategy, and aiding in understanding depositional process of organic-rich shale. A challenging and key step is to effectively recognize shale lithofacies from well conventional logs, where the relationship is very complex and nonlinear. In the recognition of shale lithofacies, the application of support vector machine (SVM), which underlies statistical learning theory and structural risk minimization principle, is superior to the traditional empirical risk minimization principle employed by artificial neural network (ANN). We propose SVM classifier combined with learning algorithms, such as grid searching, genetic algorithm and particle swarm optimization, and various kernel functions the approach to identify Marcellus Shale lithofacies. Compared with ANN classifiers, the experimental results of SVM classifiers showed higher cross-validation accuracy, better stability and less computational time cost. The SVM classifier with radius basis function as kernel worked best as it is trained by particle swarm optimization. The lithofacies predicted using the SVM classifier are used to build a 3-D Marcellus Shale lithofacies model, which assists in identifying higher productive zones, especially with thermal maturity and natural fractures. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Wang, Guochang; Ju, Yiwen] Univ Chinese Acad Sci, Coll Earth Sci, Beijing 100049, Peoples R China. [Carr, Timothy R.] W Virginia Univ, Dept Geol & Geog, Morgantown, WV 26506 USA. [Carr, Timothy R.] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Li, Chaofeng] Jiangnan Univ, Sch Internet Things Engn, Wuxi 214122, Peoples R China. RP Wang, GC (reprint author), Univ Chinese Acad Sci, Coll Earth Sci, Beijing 100049, Peoples R China. EM w.guochang@gmail.com FU National Energy Technology Laboratory's Regional University Alliance (NETL-RUA); RES [DE-FE0004000]; National Natural Science Foundation of China [698796867]; China Postdoctoral Science Foundation [2012M520432] FX This research was supported as part of the National Energy Technology Laboratory's Regional University Alliance (NETL-RUA), a collaborative initiative of the NETL, this technical effort was performed under the RES contract DE-FE0004000, and National Natural Science Foundation of China (No. 698796867). The China Postdoctoral Science Foundation (No. 2012M520432) also funded this research. Special thanks to Energy Corporation of America, Consol Energy, EQT Production and Petroleum Develop Corporation for providing core and log data. NR 38 TC 9 Z9 11 U1 3 U2 24 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0098-3004 EI 1873-7803 J9 COMPUT GEOSCI-UK JI Comput. Geosci. PD MAR PY 2014 VL 64 BP 52 EP 60 DI 10.1016/j.cageo.2013.12.002 PG 9 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA AD4PJ UT WOS:000333232700007 ER PT J AU Fan, YY Siriwardane, R AF Fan, Yueying Siriwardane, Ranjani TI Novel New Oxygen Carriers for Chemical Looping Combustion of Solid Fuels SO ENERGY & FUELS LA English DT Article ID FLUIDIZED-BED; SYNTHESIS GAS; METAL-OXIDE; REACTOR; COAL; MN; FERRITE; SYSTEM AB Several bimetallic oxygen carriers, MFe2O4 (M = Co, Ni, Cu, Mg, Ca, Sr, and Ba) and MnFeO3, prepared by the precipitation method in a microwave and the direct decomposition method, were tested for potential use in the application of chemical looping combustion (CLC) of solid fuels. Thermogravimetric analysis (TGA) was used to study their reduction rate, oxidation rate, and cyclic reduction/oxidation properties. Comparative experimental data of novel bimetallic ferrites and pure Fe2O3 and CuO showed that all bimetallic ferrites had better reduction rates than pure Fe2O3. The Group 2 metal ferrites had better reduction and oxidation rates than transition-metal ferrites. BaFe2O4 was the highest performing among all bimetallic ferrites during both reduction and oxidation reactions. The reduction rate of BaFe2O4 is comparable to that of CuO at higher reaction temperatures (>900 degrees C). A 10 wt % loading of an inert support on the surface of the bimetallic oxygen carriers significantly decreased the particle agglomeration during the cyclic tests, which contributed to a better cyclic reaction performance. C1 [Fan, Yueying; Siriwardane, Ranjani] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Fan, Yueying] URS Corp, Morgantown, WV 26507 USA. RP Siriwardane, R (reprint author), US DOE, Natl Energy Technol Lab, 3610 Collins Ferry Rd,POB 880, Morgantown, WV 26507 USA. EM yueying.fan@contr.netl.doe.gov FU National Energy Technology Laboratory under the Research and Engineering Services (RES) [DE-FE0004000] FX This work was performed in support of the National Energy Technology Laboratory's ongoing research under the Research and Engineering Services (RES) Contract DE-FE0004000. The authors also greatly appreciate Dr. Yun Chen from West Virginia University (WVU) and James A. Poston from the National Energy Technology Laboratory, U.S. Department of Energy (DOE), for help with scanning electron microscopy (SEM) measurements. NR 21 TC 11 Z9 11 U1 1 U2 33 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 EI 1520-5029 J9 ENERG FUEL JI Energy Fuels PD MAR PY 2014 VL 28 IS 3 BP 2248 EP 2257 DI 10.1021/ef402528g PG 10 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA AD6OR UT WOS:000333381200073 ER PT J AU Guildenbecher, DR Engvall, L Gao, J Grasser, TW Reu, PL Chen, J AF Guildenbecher, Daniel R. Engvall, Luke Gao, Jian Grasser, Thomas W. Reu, Phillip L. Chen, Jun TI Digital in-line holography to quantify secondary droplets from the impact of a single drop on a thin film SO EXPERIMENTS IN FLUIDS LA English DT Article ID SIZE MEASUREMENT; DYNAMICS; BUBBLES; SURFACE AB Digital in-line holography (DIH) is an optical technique which measures particle sizes and their three-dimensional (3D) positions and velocities. Here DIH and a recently proposed hybrid method of particle detection are applied to quantify the secondary droplets generated by the impact of a single drop on a thin film. By leveraging the expected symmetry between in-plane and out-of-plane velocities, experimental depth uncertainty is measured to be approximately 0.7 of the mean droplet diameter. Furthermore, comparison with previous measurements using alternative techniques shows good agreement with the measured temporal evolution of drop number, size, and velocity components. Finally, the power of DIH to extract the complex 3D morphology of the protruding jets is demonstrated. C1 [Guildenbecher, Daniel R.; Engvall, Luke; Grasser, Thomas W.; Reu, Phillip L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Gao, Jian; Chen, Jun] Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA. RP Guildenbecher, DR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM drguild@sandia.gov RI Gao, Jian/Q-6457-2016 OI Gao, Jian/0000-0003-3744-453X FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to thank Bion Shelden for assistance with the initial setup and Alexander L. Brown for a thorough review of the manuscript. Both are from Sandia National Laboratories, which is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract No. DE-AC04-94AL85000. NR 26 TC 4 Z9 4 U1 3 U2 17 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0723-4864 EI 1432-1114 J9 EXP FLUIDS JI Exp. Fluids PD MAR PY 2014 VL 55 IS 3 AR 1670 DI 10.1007/s00348-014-1670-3 PG 9 WC Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA AD4FP UT WOS:000333203600001 ER PT J AU Kastengren, A Powell, CF AF Kastengren, Alan Powell, Christopher F. TI Synchrotron X-ray techniques for fluid dynamics SO EXPERIMENTS IN FLUIDS LA English DT Review ID DIESEL SPRAY; FUEL SPRAYS; DEEP POOL; FLUORESCENCE; RADIOGRAPHY; FLOW; SCATTERING; RESOLUTION; VELOCIMETRY; EVOLUTION AB X-ray diagnostics have the potential for making quantitative measurements in many flowfields where optical diagnostics are challenging, especially multiphase flows. In the past, many such measurements have been taken with laboratory-scale X-ray sources. This review describes the measurements that are possible with synchrotron X-ray sources, which can provide high-flux, tunable, monochromatic X-ray beams that cannot be created with laboratory sources. The relevant properties of X-rays and their interactions with matter are described. The types and capabilities of various X-ray optics and sources are discussed. Finally, four major X-ray diagnostics are described in detail. X-ray radiography provides quantitative measurements of density in variable-density flows. X-ray phase-contrast imaging is used to visualize multiphase flows with high spatial and temporal resolution. X-ray fluorescence spectroscopy shows significant promise to study mixing in single-phase and multiphase flows. Small-angle X-ray scattering is a powerful technique to examine small-scale particles in flows. C1 [Kastengren, Alan] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. [Powell, Christopher F.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. RP Kastengren, A (reprint author), Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. EM akastengren@anl.gov FU US Department of Energy, Basic Energy Sciences, Office of Science [DE-AC02-06CH11357]; US DOE Vehicle Technologies Office and its Advanced Combustion Engine program FX This work is supported by the US Department of Energy, Basic Energy Sciences, Office of Science, under Contract No. DE-AC02-06CH11357, as well as the US DOE Vehicle Technologies Office and its Advanced Combustion Engine program. NR 69 TC 10 Z9 10 U1 1 U2 21 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0723-4864 EI 1432-1114 J9 EXP FLUIDS JI Exp. Fluids PD MAR PY 2014 VL 55 IS 3 AR 1686 DI 10.1007/s00348-014-1686-8 PG 15 WC Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA AD4FP UT WOS:000333203600006 ER PT J AU Kreuzer, HW Hill, EA Moran, JJ Bartholomew, RA Yang, H Hegg, EL AF Kreuzer, Helen W. Hill, Eric. A. Moran, James J. Bartholomew, Rachel A. Yang, Hui Hegg, Eric L. TI Contributions of the [ NiFe]-and [ FeFe]-hydrogenase to H2 production in Shewanella oneidensis MR-1 as revealed by isotope ratio analysis of evolved H-2 SO FEMS MICROBIOLOGY LETTERS LA English DT Article DE stable isotope; bacteria; metabolism; anaerobic; enzyme; metabolic pathway ID FRACTIONATION FACTOR; PUTREFACIENS MR-1; REDUCTION; HYDROGENASES; CARBON; IRON(III); SEQUENCE; METHANE AB Shewanella oneidensis MR-1 encodes both a [NiFe]- and an [FeFe]-hydrogenase. While the output of these proteins has been characterized in mutant strains expressing only one of the enzymes, the contribution of each to H-2 synthesis in the wild-type organism is not clear. Here, we use stable isotope analysis of H-2 in the culture headspace, along with transcription data and measurements of the concentrations of gases in the headspace, to characterize H-2 production in the wild-type strain. After most of the O-2 in the headspace had been consumed, H-2 was produced and then consumed by the bidirectional [NiFe]-hydrogenase. Once the cultures were completely anaerobic, a new burst of H-2 synthesis catalyzed by both enzymes took place. Our data are consistent with the hypothesis that at this point in the culture cycle, a pool of electrons is shunted toward both hydrogenases in the wild-type organisms, but that in the absence of one of the hydrogenases, the flux is redirected to the available enzyme. To our knowledge, this is the first use of natural-abundance stable isotope analysis of a metabolic product to elucidate substrate flux through two alternative enzymes in the same cellular system. C1 [Kreuzer, Helen W.; Hill, Eric. A.; Moran, James J.; Bartholomew, Rachel A.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Yang, Hui; Hegg, Eric L.] Michigan State Univ, E Lansing, MI 48824 USA. RP Kreuzer, HW (reprint author), Pacific NW Natl Lab, POB 999,MSIN P7-50, Richland, WA 99352 USA. EM helen.kreuzer@pnnl.gov OI Moran, James/0000-0001-9081-9017 FU U.S. Department of Energy (DOE), Office of Biological and Environmental Research (BER), as part of BER's Genomic Science Program (GSP) FX This research was funded by the U.S. Department of Energy (DOE), Office of Biological and Environmental Research (BER), as part of BER's Genomic Science Program (GSP). We thank Samantha Reed for her generous gift of the S. oneidensis strains used in these studies, and we thank Li Zhang for technical assistance. NR 21 TC 1 Z9 1 U1 3 U2 38 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0378-1097 EI 1574-6968 J9 FEMS MICROBIOL LETT JI FEMS Microbiol. Lett. PD MAR PY 2014 VL 352 IS 1 BP 18 EP 24 DI 10.1111/1574-6968.12361 PG 7 WC Microbiology SC Microbiology GA AC2PO UT WOS:000332345400003 PM 24372594 ER PT J AU Baughman, AK Chuang, W Dixon, KR Benz, Z Basilico, J AF Baughman, Aaron K. Chuang, Wesley Dixon, Kevin R. Benz, Zachary Basilico, Justin TI DeepQA Jeopardy! Gamification: A Machine-Learning Perspective SO IEEE TRANSACTIONS ON COMPUTATIONAL INTELLIGENCE AND AI IN GAMES LA English DT Article DE Gamification; machine learning; natural language processing (NLP); pattern recognition AB DeepQA is a large-scale natural language processing (NLP) question-and-answer system that responds across a breadth of structured and unstructured data, from hundreds of analytics that are combined with over 50 models, trained through machine learning. After the 2011 historic milestone of defeating the two best human players in the Jeopardy! game show, the technology behind IBM Watson, DeepQA, is undergoing gamification into real-world business problems. Gamifying a business domain for Watson is a composite of functional, content, and training adaptation for nongame play. During domain gamification for medical, financial, government, or any other business, each system change affects the machine-learning process. As opposed to the original Watson Jeopardy!, whose class distribution of positive-to-negative labels is 1:100, in adaptation the computed training instances, question-and-answer pairs transformed into true-false labels, result in a very low positive-to-negative ratio of 1:100 000. Such initial extreme class imbalance during domain gamification poses a big challenge for the Watson machine-learning pipelines. The combination of ingested corpus sets, question-and-answer pairs, configuration settings, and NLP algorithms contribute toward the challenging data state. We propose several data engineering techniques, such as answer key vetting and expansion, source ingestion, oversampling classes, and question set modifications to increase the computed true labels. In addition, algorithm engineering, such as an implementation of the Newton-Raphson logistic regression with a regularization term, relaxes the constraints of class imbalance during training adaptation. We conclude by empirically demonstrating that data and algorithm engineering are complementary and indispensable to overcome the challenges in this first Watson gamification for real-world business problems. C1 [Baughman, Aaron K.] IBM Special Events, Res Triangle Pk, NC 27703 USA. [Chuang, Wesley] IBM Res Grp, Chantilly, VA 22182 USA. [Dixon, Kevin R.; Benz, Zachary] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Basilico, Justin] Netflix Inc, Los Gatos, CA 95032 USA. RP Baughman, AK (reprint author), IBM Special Events, Res Triangle Pk, NC 27703 USA. EM baaron@us.ibm.com; chuangwe@us.ibm.com; krdixon@sandia.gov; zobenz@sandia.gov; jbasilico@netflix.com FU U.S. Department of Energy's National Nuclear Security Administration [E-AC04-94AL85000] FX 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. SAND Number: 2012-10343J. NR 31 TC 0 Z9 0 U1 6 U2 69 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1943-068X EI 1943-0698 J9 IEEE T COMP INTEL AI JI IEEE Trans. Comput. Intell. AI Games PD MAR PY 2014 VL 6 IS 1 BP 55 EP 66 DI 10.1109/TCIAIG.2013.2285651 PG 12 WC Computer Science, Artificial Intelligence; Computer Science, Software Engineering SC Computer Science GA AD3CL UT WOS:000333115100005 ER PT J AU Wang, XY Yue, M Muljadi, E Gao, WZ AF Wang, Xiaoyu Yue, Meng Muljadi, Eduard Gao, Wenzhong TI Probabilistic Approach for Power Capacity Specification of Wind Energy Storage Systems SO IEEE TRANSACTIONS ON INDUSTRY APPLICATIONS LA English DT Article DE Battery energy storage system (BESS); hybrid energy storage system (HESS); nonparametric probability density estimation; supercapacitor; wind power fluctuation ID OPTIMIZATION; GENERATION AB To accommodate the wind power fluctuations, a hybrid energy storage system (HESS) consisting of a battery energy storage system (BESS) and a supercapacitor is evaluated in this paper. A probabilistic approach for economically determining the power capacity specification for the HESS is proposed. This method would allow the capacities of the BESS and the supercapacitor to be properly designed to optimize the characteristics of high energy density of the BESS and high power density of the supercapacitor. Results show that the supercapacitor within the HESS helps to process the high frequency fluctuations, which contributes to the extension of the BESS lifetime. In addition, the supercapacitor helps to address the peaks in wind power fluctuations without the severe penalty of round-trip losses associated with a BESS. The proposed approach has been simulated using real wind data from an existing wind power plant in Iowa. C1 [Wang, Xiaoyu; Yue, Meng] Brookhaven Natl Lab, Upton, NY 11973 USA. [Muljadi, Eduard] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Gao, Wenzhong] Univ Denver, Dept Elect & Comp Engn, Denver, CO 80208 USA. RP Wang, XY (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM xywang@bnl.gov; yuemeng@bnl.gov; Eduard.muljadi@nrel.gov; wenzhong.gao@du.edu NR 26 TC 23 Z9 23 U1 0 U2 9 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-9994 EI 1939-9367 J9 IEEE T IND APPL JI IEEE Trans. Ind. Appl. PD MAR-APR PY 2014 VL 50 IS 2 BP 1215 EP 1224 DI 10.1109/TIA.2013.2272753 PG 10 WC Engineering, Multidisciplinary; Engineering, Electrical & Electronic SC Engineering GA AD5OY UT WOS:000333304000028 ER PT J AU Cabelli, D AF Cabelli, Diane TI Probing Superoxide Dismutases through Radiation Chemistry SO ISRAEL JOURNAL OF CHEMISTRY LA English DT Review DE copper; manganese superoxide dismutase; pulse radiolysis; superoxide; zinc superoxide dismutase ID PULSE-RADIOLYSIS; ACTIVE-SITE; SACCHAROMYCES-CEREVISIAE; DEINOCOCCUS-RADIODURANS; CATALYTIC MECHANISM; PRODUCT INHIBITION; MANGANESE; ZINC; COPPER; ARGININE AB Superoxide dismutases (SODs) are metalloenzymes that likely evolved to remove superoxide (O-2(.-)) from cells. These enzymes span a range of three uniquely different protein structures and four different metals to enable a similar overall chemistry, the catalytic and accelerated conversion of superoxide to oxygen and hydrogen peroxide. Superoxide dismutases have the attractive feature that the substrate (O-2(.-)) for the catalytic reaction is easily generated using radiation chemistry, allowing the ability to follow catalysis on a fast time scale under a wide variety of conditions. This review will show how the utility of radiation chemistry was realized and enabled mechanistic understanding immediately upon discovery of these enzymes. It will then highlight some applications of pulse radiolysis, carried out in this laboratory, that illustrate mechanistic details of the enzyme function for a variety of wild-type and mutant superoxide dismutases. C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Cabelli, D (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM Cabelli@bnl.gov FU US-DOE Office of Science, Division of Chemical Sciences, Geosciences, and Biosciences [DE-AC02-98CH10886] FX The author would like to recognize the seminal contributions of all of her collaborators referenced here. The work at Brookhaven was supported by the US-DOE Office of Science, Division of Chemical Sciences, Geosciences, and Biosciences under contracts No. DE-AC02-98CH10886. NR 44 TC 0 Z9 0 U1 2 U2 21 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0021-2148 EI 1869-5868 J9 ISR J CHEM JI Isr. J. Chem. PD MAR PY 2014 VL 54 IS 3 SI SI BP 272 EP 278 DI 10.1002/ijch.201300120 PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA AD4DN UT WOS:000333197200007 ER PT J AU Schneewind, O Missiakas, D AF Schneewind, Olaf Missiakas, Dominique TI Lipoteichoic Acids, Phosphate-Containing Polymers in the Envelope of Gram-Positive Bacteria SO JOURNAL OF BACTERIOLOGY LA English DT Review ID WALL TEICHOIC-ACID; BACILLUS-SUBTILIS 168; ALANINE ESTER SUBSTITUTION; STAPHYLOCOCCUS-AUREUS H; CELL-WALL; STREPTOCOCCUS-PNEUMONIAE; C-POLYSACCHARIDE; LACTOBACILLUS-CASEI; DLT OPERON; HETEROPHILE ANTIGEN AB Lipoteichoic acids (LTA) are polymers of alternating units of a polyhydroxy alkane, including glycerol and ribitol, and phosphoric acid, joined to form phosphodiester units that are found in the envelope of Gram-positive bacteria. Here we review four different types of LTA that can be distinguished on the basis of their chemical structure and describe recent advances in the biosynthesis pathway for type I LTA, D-alanylated polyglycerol-phosphate linked to di-glucosyl-diacylglycerol. The physiological functions of type I LTA are discussed in the context of inhibitors that block their synthesis and of mutants with discrete synthesis defects. Research on LTA structure and function represents a large frontier that has been investigated in only few Gram-positive bacteria. C1 [Missiakas, Dominique] Argonne Natl Lab, Howard Taylor Ricketts Lab, Lemont, IL USA. Univ Chicago, Dept Microbiol, Chicago, IL 60637 USA. RP Missiakas, D (reprint author), Argonne Natl Lab, Howard Taylor Ricketts Lab, Lemont, IL USA. EM dmissiak@bsd.uchicago.edu FU Region V Great Lakes Regional Center of Excellence in Biodefense and Emerging Infectious Diseases Consortium (NIH) [1-U54-AI-057153] FX Research on LTA synthesis and inhibition in the laboratories of O.S. and D.M. is supported by the Region V Great Lakes Regional Center of Excellence in Biodefense and Emerging Infectious Diseases Consortium (NIH Award 1-U54-AI-057153). NR 137 TC 23 Z9 25 U1 2 U2 32 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 EI 1098-5530 J9 J BACTERIOL JI J. Bacteriol. PD MAR PY 2014 VL 196 IS 6 BP 1133 EP 1142 DI 10.1128/JB.01155-13 PG 10 WC Microbiology SC Microbiology GA AC6JO UT WOS:000332628700001 PM 24415723 ER PT J AU Tam, C Demke, O Hermanas, T Mitchell, A Hendrickx, APA Schneewind, O AF Tam, Christina Demke, Owen Hermanas, Timothy Mitchell, Anthony Hendrickx, Antoni P. A. Schneewind, Olaf TI YfbA, a Yersinia pestis Regulator Required for Colonization and Biofilm Formation in the Gut of Cat Fleas SO JOURNAL OF BACTERIOLOGY LA English DT Article ID EARLY-PHASE TRANSMISSION; PLAGUE-ENDEMIC REGION; CTENOCEPHALIDES-FELIS; BORNE TRANSMISSION; DIGUANYLATE CYCLASE; IDENTIFICATION; VECTOR; PSEUDOTUBERCULOSIS; INFECTION; PROTEINS AB For transmission to new hosts, Yersinia pestis, the causative agent of plague, replicates as biofilm in the foregut of fleas that feed on plague-infected animals or humans. Y. pestis biofilm formation has been studied in the rat flea; however, little is known about the cat flea, a species that may bridge zoonotic and anthroponotic plague cycles. Here, we show that Y. pestis infects and replicates as a biofilm in the foregut of cat fleas in a manner requiring hmsFR, two determinants for extracellular biofilm matrix. Examining a library of transposon insertion mutants, we identified the LysR-type transcriptional regulator YfbA, which is essential for Y. pestis colonization and biofilm formation in cat fleas. C1 [Schneewind, Olaf] Argonne Natl Lab, Howard Taylor Ricketts Lab, Lemont, IL USA. Univ Chicago, Dept Microbiol, Chicago, IL 60637 USA. RP Schneewind, O (reprint author), Argonne Natl Lab, Howard Taylor Ricketts Lab, Lemont, IL USA. EM oschnee@bsd.uchicago.edu FU National Institute of Allergy and Infectious Diseases, National Institutes of Health, Department of Health and Human Services [U19 AI107792, RO1AI042797]; Region V Great Lakes Regional Center of Excellence in Biodefense and Emerging Infectious Diseases Consortium (NIH) [1-U54-AI-057153] FX This project has been funded in whole or in part with Federal funds from the National Institute of Allergy and Infectious Diseases, National Institutes of Health, Department of Health and Human Services, under grant/contract no. U19 AI107792 and RO1AI042797. We acknowledge membership of and support from the Region V Great Lakes Regional Center of Excellence in Biodefense and Emerging Infectious Diseases Consortium (NIH award 1-U54-AI-057153). NR 62 TC 6 Z9 6 U1 1 U2 6 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 EI 1098-5530 J9 J BACTERIOL JI J. Bacteriol. PD MAR PY 2014 VL 196 IS 6 BP 1165 EP 1173 DI 10.1128/JB.01187-13 PG 9 WC Microbiology SC Microbiology GA AC6JO UT WOS:000332628700004 PM 24391055 ER PT J AU Martin-Diaconescu, V Serena, D Gennari, M Gerey, B Duboc, C Collomb, M Tsui, E Kanady, J Agapie, T Tran, R Yano, J Pecaut, J AF Martin-Diaconescu, V. Serena, D. Gennari, M. Gerey, B. Duboc, C. Collomb, M. Tsui, E. Kanady, J. Agapie, T. Tran, R. Yano, J. Pecaut, J. TI Application of X-ray Absorption (XAS) and Emission (XES) Spectroscopies to the Calcium Centers of PSII Oxygen Evolving Complex Structural Analogs SO JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY LA English DT Meeting Abstract CT 16th International Conference on Biological Inorganic Chemistry (ICBIC) CY JUL 22-26, 2013 CL Grenoble, FRANCE SP Int Organizing Comm, Natl Organizing Comm, SBIC, Veolia Environm, Arcane, Grenoble Innovat Adv New Technologies, LOREAL, Soc Chimique France, CEA, Life Sci Div, SHIMADZU, High Tech Mat, CEA, Div Matter Sci, IFP Energies Nouvelles, Univ Joseph Fourier, Springer, CNRS, Euriso Top, Int Union Crystallog, Dominique Dutscher, ROTH, Sci Comp & Modeling, Bruker C1 [Martin-Diaconescu, V.; Serena, D.] Max Planck Inst Chem Energy Convers, Mulheim, Nrw, Germany. [Gennari, M.; Gerey, B.; Duboc, C.; Collomb, M.] Univ Grenoble 1, CNRS, Dept Chim Mol, Grenoble, France. [Tsui, E.; Kanady, J.; Agapie, T.] CALTECH, Dept Chem, Pasadena, CA 91125 USA. [Tran, R.; Yano, J.] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkley, KS USA. [Pecaut, J.] Lab Reconnaissance Ion & Chim Coordinat, Grenoble, France. NR 0 TC 0 Z9 0 U1 0 U2 6 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0949-8257 EI 1432-1327 J9 J BIOL INORG CHEM JI J. Biol. Inorg. Chem. PD MAR PY 2014 VL 19 SU 1 MA 1719403 BP S498 EP S498 PG 1 WC Biochemistry & Molecular Biology; Chemistry, Inorganic & Nuclear SC Biochemistry & Molecular Biology; Chemistry GA AC9DU UT WOS:000332835300436 ER PT J AU Shaw, W AF Shaw, W. TI Proton Channels for Hydrogenase Mimics SO JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY LA English DT Meeting Abstract CT 16th International Conference on Biological Inorganic Chemistry (ICBIC) CY JUL 22-26, 2013 CL Grenoble, FRANCE SP Int Organizing Comm, Natl Organizing Comm, SBIC, Veolia Environm, Arcane, Grenoble Innovat Adv New Technologies, LOREAL, Soc Chimique France, CEA, Life Sci Div, SHIMADZU, High Tech Mat, CEA, Div Matter Sci, IFP Energies Nouvelles, Univ Joseph Fourier, Springer, CNRS, Euriso Top, Int Union Crystallog, Dominique Dutscher, ROTH, Sci Comp & Modeling, Bruker C1 [Shaw, W.] Pacific NW Natl Lab, Richland, WA USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0949-8257 EI 1432-1327 J9 J BIOL INORG CHEM JI J. Biol. Inorg. Chem. PD MAR PY 2014 VL 19 SU 1 MA 1735108 BP S574 EP S574 PG 1 WC Biochemistry & Molecular Biology; Chemistry, Inorganic & Nuclear SC Biochemistry & Molecular Biology; Chemistry GA AC9DU UT WOS:000332835300511 ER PT J AU Shaw, W Reback, M Ginovska-Pangovska, B Roberts, J Raugei, S Jain, A AF Shaw, W. Reback, M. Ginovska-Pangovska, B. Roberts, J. Raugei, S. Jain, A. TI Controlling Molecular Catalysts with a Peptide-Based Outer Coordination Sphere SO JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY LA English DT Meeting Abstract CT 16th International Conference on Biological Inorganic Chemistry (ICBIC) CY JUL 22-26, 2013 CL Grenoble, FRANCE SP Int Organizing Comm, Natl Organizing Comm, SBIC, Veolia Environm, Arcane, Grenoble Innovat Adv New Technologies, LOREAL, Soc Chimique France, CEA, Life Sci Div, SHIMADZU, High Tech Mat, CEA, Div Matter Sci, IFP Energies Nouvelles, Univ Joseph Fourier, Springer, CNRS, Euriso Top, Int Union Crystallog, Dominique Dutscher, ROTH, Sci Comp & Modeling, Bruker C1 [Shaw, W.; Reback, M.; Ginovska-Pangovska, B.; Roberts, J.; Raugei, S.] Pacific NW Natl Lab, Richland, WA USA. [Jain, A.] Indiana Univ Penn, Indiana, PA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0949-8257 EI 1432-1327 J9 J BIOL INORG CHEM JI J. Biol. Inorg. Chem. PD MAR PY 2014 VL 19 SU 1 MA 1711153 BP S158 EP S158 PG 1 WC Biochemistry & Molecular Biology; Chemistry, Inorganic & Nuclear SC Biochemistry & Molecular Biology; Chemistry GA AC9DU UT WOS:000332835300101 ER PT J AU Leang, SS Rendell, AP Gordon, MS AF Leang, Sarom S. Rendell, Alistair P. Gordon, Mark S. TI Quantum Chemical Calculations Using Accelerators: Migrating Matrix Operations to the NVIDIA Kepler GPU and the Intel Xeon Phi SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID GRAPHICAL PROCESSING UNITS; CHEMISTRY; SIMULATIONS AB Increasingly, modern computer systems comprise a multicore general-purpose processor augmented with a number of special purpose devices or accelerators connected via an external interface such as a PCI bus. The NVIDIA Kepler Graphical Processing Unit (GPU) and the Intel Phi are two examples of such accelerators. Accelerators offer peak performances that can be well above those of the host processor. How to exploit this heterogeneous environment for legacy application codes is not, however, straightforward. This paper considers how matrix operations in typical quantum chemical calculations can be migrated to the GPU and Phi systems. Double precision general matrix multiply operations are endemic in electronic structure calculations, especially methods that include electron correlation, such as density functional theory, second order perturbation theory, and coupled cluster theory. The use of approaches that automatically determine whether to use the host or an accelerator, based on problem size, is explored, with computations that are occurring on the accelerator and/or the host. For data-transfers over PCI-e, the GPU provides the best overall performance for data sizes up to 4096 MB with consistent upload and download rates between 5-5.6 GB/s and 5.4-6.3 GB/s, respectively. The GPU outperforms the Phi for both square and nonsquare matrix multiplications. C1 [Rendell, Alistair P.] Australian Natl Univ, Res Sch Comp Sci, Acton, ACT 0200, Australia. [Leang, Sarom S.; Gordon, Mark S.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Leang, Sarom S.; Gordon, Mark S.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Gordon, MS (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM mark@si.msg.chem.iastate.edu FU National Science Foundation; Air Force Office of Scientific Research under AFOSR [FA9550-12-1-0476]; National Science Foundation MRI award FX This material is based upon work supported in part by a National Science Foundation SI2 grant and in part by the Air Force Office of Scientific Research under AFOSR Award No. FA9550-12-1-0476. The computations performed for this work were done on the Iowa State University Cyence computer, provided by a National Science Foundation MRI award. NR 10 TC 12 Z9 12 U1 0 U2 27 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 EI 1549-9626 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD MAR PY 2014 VL 10 IS 3 BP 908 EP 912 DI 10.1021/ct4010596 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AD0GW UT WOS:000332913500003 PM 26580169 ER PT J AU Berardo, E Hu, HS Shevlin, SA Woodley, SM Kowalski, K Zwijnenburg, MA AF Berardo, Enrico Hu, Han-Shi Shevlin, Stephen A. Woodley, Scott M. Kowalski, Karol Zwijnenburg, Martijn A. TI Modeling Excited States in TiO2 Nanoparticles: On the Accuracy of a TD-DFT Based Description SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID (TIO2)(N) CLUSTERS N=1-10; ELECTRONIC-STRUCTURE; TITANIUM-DIOXIDE; QUANTUM DOTS; ANATASE TIO2; BASIS-SETS; SIZE; WATER; OXIDE; NANOSTRUCTURES AB We have investigated the suitability of Time-Dependent Density Functional Theory (TD-DFT) to describe vertical low-energy excitations in naked and hydrated titanium dioxide nanoparticles. Specifically, we compared TD-DFT results obtained using different exchange-correlation (XC) potentials with those calculated using Equation-of-Motion Coupled Cluster (EOM-CC) quantum chemistry methods. We demonstrate that TD-DFT calculations with commonly used XC potentials (e.g., B3LYP) and EOM-CC methods give qualitatively similar results for most TiO2 nanoparticles investigated. More importantly, however, we also show that, for a significant subset of structures, TD-DFT gives qualitatively different results depending upon the XC potential used and that only TD-CAM-B3LYP and TD-BHLYP calculations yield results that are consistent with those obtained using EOM-CC theory. Moreover, we demonstrate that the discrepancies for such structures originate from a particular Combination of defects that give rise to charge-transfer excitations, which are poorly described by XC potentials that do not contain sufficient Hartree-Fock like exchange. Finally, we consider that such defects are readily healed in the presence of ubiquitously present water and that, as a result, the description of vertical low-energy excitations for hydrated TiO2 nanoparticles is nonproblematic. C1 [Berardo, Enrico; Shevlin, Stephen A.; Woodley, Scott M.; Zwijnenburg, Martijn A.] UCL, Dept Chem, London WC1H 0AJ, England. [Hu, Han-Shi; Kowalski, Karol] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Battelle, Richland, WA 99352 USA. RP Zwijnenburg, MA (reprint author), UCL, Dept Chem, 20 Gordon St, London WC1H 0AJ, England. EM m.zwijnenburg@ucl.ac.uk RI Berardo, Enrico/F-2180-2013; Shevlin, Stephen/G-9269-2011; Woodley, Scott/B-6817-2012; Berardo, Enrico/D-1874-2017 OI Shevlin, Stephen/0000-0001-5896-0301; Woodley, Scott/0000-0003-3418-9043; Berardo, Enrico/0000-0003-3979-2247 FU UK Engineering and Physical Sciences Research Council (EPSRC) [EP/I004424/1]; UCL Impact studentship; IRIDIS regional high-performance computing service; e-Infrastructure South Centre for Innovation (EPSRC) [EP/K000144/1, EP/K000136/1]; EPSRC [EP/F067496/1, EP/L000202/1]; Department of Energy's Office of Biological and Environmental Research; U.S. Department of Energy by the Battelle Memorial Institute [DEAC06.76RLO-1830] FX We kindly acknowledge Prof S. T. Bromley, Dr. M. Calatayud, Dr. A. Kerridge, Prof A Shluger, Dr. A. A. Sokol, and Dr. C. Sousa for stimulating discussions. M.A.Z. acluiowledges the UK Engineering and Physical Sciences Research Council (EPSRC) for a Career Acceleration Fellowship (Grant EP/I004424/1). This study has further been supported by a UCL Impact studentship award to E.B. Computational time on the computers of the Unity High Performance Computing Facility at University College London, the IRIDIS regional high-performance computing service provided by the e-Infrastructure South Centre for Innovation (EPSRC Grants EP/K000144/1 and EP/K000136/1) and on HECToR, the U.K's national high-performance computing service (via our membership in the UK's HPC Materials Chemistry Consortium, which is funded by EPSRC grants EP/F067496/1 and EP/L000202/1), is gratefully acknowledged. A significant portion of the research was also performed using PNNL Institutional Computing at Pacific Northwest National Laboratory and EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. The Pacific Northwest National Laboratory is operated for the U.S. Department of Energy by the Battelle Memorial Institute under Contract DEAC06.76RLO-1830. NR 74 TC 25 Z9 25 U1 1 U2 46 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 EI 1549-9626 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD MAR PY 2014 VL 10 IS 3 BP 1189 EP 1199 DI 10.1021/ct4010273 PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA AD0GW UT WOS:000332913500028 ER PT J AU Senecal, PK Pomraning, E Richards, KJ Som, S AF Senecal, P. K. Pomraning, E. Richards, K. J. Som, S. TI Grid-Convergent Spray Models for Internal Combustion Engine Computational Fluid Dynamics Simulations SO JOURNAL OF ENERGY RESOURCES TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article AB A state-of-the-art spray modeling methodology is presented. Key features of the methodology, such as adaptive mesh refinement (AMR), advanced liquid-gas momentum coupling, and improved distribution of the liquid phase, are described. The ability of this approach to use cell sizes much smaller than the nozzle diameter is demonstrated. Grid convergence of key parameters is verified for nonevaporating, evaporating, and reacting spray cases using cell sizes down to 1/32 mm. Grid settings are recommended that optimize the accuracy/runtime tradeoff for RANS-based spray simulations. C1 [Senecal, P. K.; Pomraning, E.; Richards, K. J.] Convergent Sci Inc, Middleton, WI 53562 USA. [Som, S.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Senecal, PK (reprint author), Convergent Sci Inc, 6405 Century Ave,Suite 102, Middleton, WI 53562 USA. EM senecal@convergecfd.com FU Argonne, a U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX The submitted manuscript has been created in collaboration with 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. The U.S. Government retains for itself, and others acting on its behalf, a paid-up, nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. NR 33 TC 5 Z9 5 U1 0 U2 3 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0195-0738 J9 J ENERG RESOUR-ASME JI J. Energy Resour. Technol.-Trans. ASME PD MAR PY 2014 VL 136 IS 1 AR 012204 DI 10.1115/1.4024861 PG 11 WC Energy & Fuels SC Energy & Fuels GA AD2CW UT WOS:000333041700015 ER PT J AU Joumaa, H Ostoja-Starzewski, M Demmie, P AF Joumaa, Hady Ostoja-Starzewski, Martin Demmie, Paul TI Elastodynamics in micropolar fractal solids SO MATHEMATICS AND MECHANICS OF SOLIDS LA English DT Article DE Elastodynamics; fractal solid; micropolar elasticity ID MEDIA; EQUATIONS AB This research explores elastodynamics and wave propagation in fractal micropolar solid media. Such media incorporate a fractal geometry while being modelled constitutively by the Cosserat elasticity. The formulation of the balance laws which govern the mechanics of fractal micropolar solid media is presented. Four eigenvalue-type elastodynamic problems admitting closed-form analytical solutions are introduced and discussed. A numerical procedure to solve general initial boundary value wave propagation problems in three-dimensional micropolar bodies exhibiting geometric fractality is then applied. Verification of the numerical procedure is discussed using the analytical solutions. C1 [Joumaa, Hady; Ostoja-Starzewski, Martin] Univ Illinois, Urbana, IL 61801 USA. [Demmie, Paul] Sandia Natl Labs, Albuquerque, NM USA. RP Joumaa, H (reprint author), Univ Illinois, Dept Mech Sci & Engn, 1206 W Green St 244, Urbana, IL 61801 USA. EM hjoumaa2@illinois.edu OI Ostoja-Starzewski, Martin/0000-0002-3493-363X FU Sandia-DTRA [HDTRA1-08-10-BRCWMD]; NSF [CMMI-1030940]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by Sandia-DTRA (grant number HDTRA1-08-10-BRCWMD) and the NSF (grant number CMMI-1030940). Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 23 TC 2 Z9 2 U1 0 U2 4 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1081-2865 EI 1741-3028 J9 MATH MECH SOLIDS JI Math. Mech. Solids PD MAR PY 2014 VL 19 IS 2 BP 117 EP 134 DI 10.1177/1081286512454557 PG 18 WC Materials Science, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Materials Science; Mathematics; Mechanics GA AD4QR UT WOS:000333236100001 ER PT J AU Brennecka, GA Borg, LE Wadhwa, M AF Brennecka, G. A. Borg, L. E. Wadhwa, M. TI Insights into the Martian mantle: The age and isotopics of the meteorite fall Tissint SO METEORITICS & PLANETARY SCIENCE LA English DT Article ID DIFFERENTIATION HISTORY; MARS; SYSTEMATICS; CHRONOLOGY; LAUNCH; EJECTA; YOUNG AB The recent witnessed fall of the meteorite Tissint represents the delivery of a pristine new sample from the surface of Mars. This meteorite provides an unprecedented opportunity to study a variety of aspects about the planet's evolution. Using the Rb-Sr and Sm-Nd isotopic systems, we determined that Tissint, a depleted shergottite, has a crystallization age of 574 +/- 20Ma, an initial epsilon Nd-143=+42.2 +/- 0.5, and an initial Sr-87/Sr-86=0.700760 +/- 11. These initial Nd and Sr isotopic compositions suggest that Tissint originated from a mantle source on Marsthat is distinct from the source reservoirs of the other Martian meteorites. The known crystallization ages, geochemical characteristics, ejection ages, and ejection dynamics of Tissint and other similarly grouped Martian meteorites suggest that they are likely derived from a source crater up to approximately 90km in diameter with an age of approximately 1Ma that is located on terrain that is approximately 600 million years old. C1 [Brennecka, G. A.; Borg, L. E.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Wadhwa, M.] Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ 84550 USA. RP Brennecka, GA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM brennecka2@llnl.gov FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; NASA Cosmochemistry grants [NNH08ZDA001N, NNX11AK75G] FX The authors would like to thank H. McSween and J. Bridges for helpful reviews that improved the manuscript. This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under contract number DE-AC52-07NA27344. The portions of the work performed at Lawrence Livermore National Laboratory and Arizona State University were supported by NASA Cosmochemistry grants NNH08ZDA001N (to LB) and NNX11AK75G (to MW), respectively. NR 25 TC 16 Z9 16 U1 4 U2 19 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1086-9379 EI 1945-5100 J9 METEORIT PLANET SCI JI Meteorit. Planet. Sci. PD MAR PY 2014 VL 49 IS 3 BP 412 EP 418 DI 10.1111/maps.12258 PG 7 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AD4WJ UT WOS:000333251800008 ER PT J AU Heck, PR Stadermann, FJ Isheim, D Auciello, O Daulton, TL Davis, AM Elam, JW Floss, C Hiller, J Larson, DJ Lewis, JB Mane, A Pellin, MJ Savina, MR Seidman, DN Stephan, T AF Heck, Philipp R. Stadermann, Frank J. Isheim, Dieter Auciello, Orlando Daulton, Tyrone L. Davis, Andrew M. Elam, Jeffrey W. Floss, Christine Hiller, Jon Larson, David J. Lewis, Josiah B. Mane, Anil Pellin, Michael J. Savina, Michael R. Seidman, David N. Stephan, Thomas TI Atom-probe analyses of nanodiamonds from Allende SO METEORITICS & PLANETARY SCIENCE LA English DT Article ID FIELD-ION MICROSCOPE; INTERSTELLAR DIAMONDS; PRESOLAR DIAMONDS; SOLAR-SYSTEM; TOMOGRAPHY; METEORITES; CARBON; NITROGEN; ISOTOPE; EVAPORATION AB Atom-probe tomography (APT) is currently the only analytical technique that, due to its spatial resolution and detection efficiency, has the potential to measure the carbon isotope ratios of individual nanodiamonds. We describe three different sample preparation protocols that we developed for the APT analysis of meteoritic nanodiamonds at sub-nm resolution and present carbon isotope peak ratios of meteoritic and synthetic nanodiamonds. The results demonstrate an instrumental bias associated with APT that needs to be quantified and corrected to obtain accurate isotope ratios. After this correction is applied, this technique should allow determination of the distribution of C-12/C-13 ratios in individual diamond grains, solving the decades-old question of the origin of meteoritic nanodiamonds: what fraction, if any, formed in the solar system and in presolar environments? Furthermore, APT could help us identify the stellar sources of any presolar nanodiamonds that are detected. C1 [Heck, Philipp R.; Davis, Andrew M.; Stephan, Thomas] Field Museum Nat Hist, Robert A Pritzker Ctr Meteorit & Polar Studies, Chicago, IL 60605 USA. [Heck, Philipp R.; Davis, Andrew M.; Pellin, Michael J.; Savina, Michael R.; Stephan, Thomas] Univ Chicago, Chicago Ctr Cosmochem, Chicago, IL 60637 USA. [Stadermann, Frank J.; Floss, Christine; Lewis, Josiah B.] Space Sci Lab, St Louis, MO USA. [Stadermann, Frank J.; Daulton, Tyrone L.; Floss, Christine; Lewis, Josiah B.] Washington Univ, Dept Phys, St Louis, MO 63130 USA. [Isheim, Dieter; Seidman, David N.] Northwestern Univ, Dept Mat Sci & Engn, Ctr Atom Probe Tomog, Evanston, IL 60208 USA. [Auciello, Orlando; Hiller, Jon; Pellin, Michael J.; Savina, Michael R.; Stephan, Thomas] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Auciello, Orlando] Univ Texas Dallas, Dept Mat Sci & Engn, Richardson, TX 75083 USA. [Auciello, Orlando] Univ Texas Dallas, Dept Bioengn, Richardson, TX 75083 USA. [Daulton, Tyrone L.] Washington Univ, Ctr Mat Innovat, St Louis, MO USA. [Davis, Andrew M.; Pellin, Michael J.; Stephan, Thomas] Univ Chicago, Dept Geophys Sci, Chicago, IL 60637 USA. [Davis, Andrew M.; Pellin, Michael J.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Elam, Jeffrey W.; Mane, Anil] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Larson, David J.] Cameca Instruments Inc, Madison, WI USA. RP Heck, PR (reprint author), Field Museum Nat Hist, Robert A Pritzker Ctr Meteorit & Polar Studies, Chicago, IL 60605 USA. EM prheck@fieldmuseum.org RI Pellin, Michael/B-5897-2008; Seidman, David/B-6697-2009 OI Pellin, Michael/0000-0002-8149-9768; FU NASA grants [NNX09AC28G, NNX13AF53G, NNX09AG39G, NNX11AG77G]; Tawani Foundation; US Department of Energy, Office of Science Materials Sciences and Engineering Division [DE-AC02-06CH11357]; NSF-MRI [DMR-0420532]; ONR-DURIP [N00014-0400798, N00014-0610539, N00014-0910781]; National Science Foundation's MRSEC program [DMR-1121262] FX We thank R. S. Lewis for providing the Allende nanodiamond sample, K. Knight for the detonation diamonds, J. Pearson for sputter coating, and D. Schreiber for helpful discussions. We are grateful to I. Lyon, L. Nittler, and J. Matsuda for careful and constructive reviews, which significantly improved this article. This study is supported by NASA grants NNX09AC28G and NNX13AF53G (C.F.), NNX09AG39G (A.M.D. and T.S.), NNX11AG77G (P.R.H.), and by the Tawani Foundation. Atomic layer deposition, UNCD film growth, and some of the FIB microscope work were performed at Argonne National Laboratory. Assistance with UNCD film growth and APT analysis was supported by the US Department of Energy, Office of Science Materials Sciences and Engineering Division, under Contract No. DE-AC02-06CH11357 (M.R.S., M.J.P, O.A.). The NUCAPT LEAP was purchased and upgraded with funding from NSF-MRI (DMR-0420532) and ONR-DURIP (N00014-0400798, N00014-0610539, N00014-0910781) grants. This study was also supported by the National Science Foundation's MRSEC program (DMR-1121262) and made use of its Shared Facilities at the Materials Research Center of Northwestern University. We also gratefully acknowledge the Initiative for Sustainability and Energy at Northwestern (ISEN) for grants to upgrade the capabilities of NUCAPT. NR 52 TC 15 Z9 16 U1 2 U2 31 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1086-9379 EI 1945-5100 J9 METEORIT PLANET SCI JI Meteorit. Planet. Sci. PD MAR PY 2014 VL 49 IS 3 BP 453 EP 467 DI 10.1111/maps.12265 PG 15 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AD4WJ UT WOS:000333251800010 ER PT J AU Anderson, L Aubourg, E Bailey, S Beutler, F Bolton, AS Brinkmann, J Brownstein, JR Chuang, CH Cuesta, AJ Dawson, KS Eisenstein, DJ Ho, S Honscheid, K Kazin, EA Kirkby, D Manera, M McBride, CK Mena, O Nichol, RC Olmstead, MD Padmanabhan, N Palanque-Delabrouille, N Percival, WJ Prada, F Ross, AJ Ross, NP Sanchez, AG Samushia, L Schlegel, DJ Schneider, DP Seo, HJ Strauss, MA Thomas, D Tinker, JL Tojeiro, R Verde, L Wake, D Weinberg, DH Xu, XY Yeche, C AF Anderson, Lauren Aubourg, Eric Bailey, Stephen Beutler, Florian Bolton, Adam S. Brinkmann, J. Brownstein, Joel R. Chuang, Chia-Hsun Cuesta, Antonio J. Dawson, Kyle S. Eisenstein, Daniel J. Ho, Shirley Honscheid, Klaus Kazin, Eyal A. Kirkby, David Manera, Marc McBride, Cameron K. Mena, O. Nichol, Robert C. Olmstead, Matthew D. Padmanabhan, Nikhil Palanque-Delabrouille, N. Percival, Will J. Prada, Francisco Ross, Ashley J. Ross, Nicholas P. Sanchez, Ariel G. Samushia, Lado Schlegel, David J. Schneider, Donald P. Seo, Hee-Jong Strauss, Michael A. Thomas, Daniel Tinker, Jeremy L. Tojeiro, Rita Verde, Licia Wake, David Weinberg, David H. Xu, Xiaoying Yeche, Christophe TI The clustering of galaxies in the SDSS-III Baryon Oscillation Spectroscopic Survey: measuring D-A and H at z=0.57 from the baryon acoustic peak in the Data Release 9 spectroscopic Galaxy sample SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE cosmological parameters; cosmology: observations; dark energy; distance scale; large scale structure of Universe ID DIGITAL SKY SURVEY; LUMINOUS RED GALAXIES; LARGE-SCALE STRUCTURE; POWER-SPECTRUM ANALYSIS; PROBING DARK ENERGY; SURVEY IMAGING DATA; CENT DISTANCE; COSMOLOGICAL CONSTANT; REDSHIFT SURVEYS; FLUCTUATIONS AB We present measurements of the angular diameter distance to and Hubble parameter at z = 0.57 from the measurement of the baryon acoustic peak in the correlation of galaxies from the Sloan Digital Sky Survey III Baryon Oscillation Spectroscopic Survey. Our analysis is based on a sample from Data Release 9 of 264 283 galaxies over 3275 square degrees in the redshift range 0.43 < z < 0.70. We use two different methods to provide robust measurement of the acoustic peak position across and along the line of sight in order to measure the cosmological distance scale. We find D-A(0.57) = 1408 +/- 45 Mpc and H(0.57) = 92.9 +/- 7.8 km s(-1) Mpc(-1) for our fiducial value of the sound horizon. These results from the anisotropic fitting are fully consistent with the analysis of the spherically averaged acoustic peak position presented in Anderson et al. Our distance measurements are a close match to the predictions of the standard cosmological model featuring a cosmological constant and zero spatial curvature. C1 [Anderson, Lauren] Univ Washington, Dept Astron, Seattle, WA 98195 USA. [Aubourg, Eric] Univ Paris Diderot, APC, CNRS IN2P3, CEA Irfu,Obs Paris, Sorbonne Paris, France. [Bailey, Stephen; Beutler, Florian; Ross, Nicholas P.; Schlegel, David J.; Seo, Hee-Jong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bolton, Adam S.; Brownstein, Joel R.; Dawson, Kyle S.; Olmstead, Matthew D.] Univ Utah, Dept Phys & Astron, Salt Lake City, UT 84112 USA. [Brinkmann, J.] Apache Point Observ, Sunspot, NM 88349 USA. [Chuang, Chia-Hsun; Prada, Francisco] Univ Autonoma Madrid, Inst Fis Teor UAM CSIC, E-28049 Madrid, Spain. [Cuesta, Antonio J.; Padmanabhan, Nikhil] Yale Univ, Dept Phys, New Haven, CT 06520 USA. [Eisenstein, Daniel J.; McBride, Cameron K.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Ho, Shirley; Xu, Xiaoying] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. [Honscheid, Klaus; Weinberg, David H.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Honscheid, Klaus; Weinberg, David H.] Ohio State Univ, CCAPP, Columbus, OH 43210 USA. [Dawson, Kyle S.] Swinburne Univ Technol, Ctr Astrophys & Supercomp, Hawthorn, Vic 3122, Australia. [Kirkby, David] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Manera, Marc; Nichol, Robert C.; Percival, Will J.; Ross, Ashley J.; Thomas, Daniel; Tojeiro, Rita] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Mena, O.] IFIC CSIC UV, Valencia, Spain. [Palanque-Delabrouille, N.; Yeche, Christophe] CEA, Ctr Saclay, Irfu SPP, F-91191 Gif Sur Yvette, France. [Prada, Francisco] Inst Astrofis Andalucia CSIC, E-18080 Granada, Spain. [Prada, Francisco] Campus Int Excellence UAM CSIC, E-28049 Madrid, Spain. [Sanchez, Ariel G.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Samushia, Lado] Ilia State Univ, Natl Abastumani Astrophys Observ, GE-1060 Tbilisi, Rep of Georgia. [Schneider, Donald P.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Schneider, Donald P.] Penn State Univ, Inst Gravitat & Cosmos, University Pk, PA 16802 USA. [Strauss, Michael A.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [Tinker, Jeremy L.] NYU, Ctr Cosmol & Particle Phys, New York, NY 10003 USA. [Verde, Licia] ICREA, E-08028 Barcelona, Spain. [Verde, Licia] ICC Univ Barcelona IEEC UB, E-08028 Barcelona, Spain. [Wake, David] Univ Wisconsin, Dept Astron, Madison, WI 53706 USA. RP Anderson, L (reprint author), Univ Washington, Dept Astron, Box 351580, Seattle, WA 98195 USA. EM djschlegel@lbl.gov RI Ho, Shirley/P-3682-2014 OI Ho, Shirley/0000-0002-1068-160X FU Alfred P. Sloan Foundation; National Science Foundation; US Department of Energy Office of Science; University of Arizona; Brazilian Participation Group; Brookhaven National Laboratory; University of Cambridge; Carnegie Mellon University; University of Florida; French Participation Group; German Participation Group; Harvard University; Instituto de Astrofisica de Canarias; Michigan State/Notre Dame/JINA Participation Group; Johns Hopkins University; Lawrence Berkeley National Laboratory; Max Planck Institute for Astrophysics; Max Planck Institute for Extraterrestrial Physics; New Mexico State University; New York University; Ohio State University; Pennsylvania State University; University of Portsmouth; Princeton University; Spanish Participation Group; University of Tokyo; University of Utah; Vanderbilt University; University of Virginia; University of Washington; Yale University FX Funding for SDSS-III has been provided by the Alfred P. Sloan Foundation, the Participating Institutions, the National Science Foundation and the US Department of Energy Office of Science. The SDSS-III web site is http://www.sdss3.org/.; SDSS-III is managed by the Astrophysical Research Consortium for the Participating Institutions of the SDSS-III Collaboration including the University of Arizona, the Brazilian Participation Group, Brookhaven National Laboratory, University of Cambridge, Carnegie Mellon University, University of Florida, the French Participation Group, the German Participation Group, Harvard University, the Instituto de Astrofisica de Canarias, the Michigan State/Notre Dame/JINA Participation Group, Johns Hopkins University, Lawrence Berkeley National Laboratory, Max Planck Institute for Astrophysics, Max Planck Institute for Extraterrestrial Physics, New Mexico State University, New York University, Ohio State University, Pennsylvania State University, University of Portsmouth, Princeton University, the Spanish Participation Group, University of Tokyo, University of Utah, Vanderbilt University, University of Virginia, University of Washington and Yale University. NR 93 TC 64 Z9 65 U1 1 U2 8 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD MAR PY 2014 VL 439 IS 1 BP 83 EP 101 DI 10.1093/mnras/stt2206 PG 19 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AD5MR UT WOS:000333297700026 ER PT J AU Sadowski, A Narayan, R McKinney, JC Tchekhovskoy, A AF Sadowski, Aleksander Narayan, Ramesh McKinney, Jonathan C. Tchekhovskoy, Alexander TI Numerical simulations of super-critical black hole accretion flows in general relativity SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE accretion, accretion discs; black hole physics; relativistic processes; methods: numerical; galaxies: jets ID ADVECTION-DOMINATED ACCRETION; RADIATION-MAGNETOHYDRODYNAMIC SIMULATIONS; SUPER-EDDINGTON ACCRETION; ACTIVE GALACTIC NUCLEI; TIDAL DISRUPTION EVENT; ULTRA-FAST OUTFLOWS; 2 DIMENSIONS; DISKS; DISCS; SCHEME AB A new general relativistic radiation magnetohydrodynamical code KORAL is described, which employs the M1 scheme to close the radiation moment equations. The code has been successfully verified against a number of tests. Axisymmetric simulations of super-critical magnetized accretion on non-rotating (a(*) = 0.0) and spinning (a(*) = 0.9) black holes are presented. The accretion rates in the two models are (M) over dot approximate to 100-200 (M) over dot(Edd). These first general relativistic simulations of super-critical black hole accretion are potentially relevant to tidal disruption events and hyper-accreting supermassive black holes in the early Universe. Both simulated models are optically and geometrically thick, and have funnels through which energy escapes in the form of relativistic gas, Poynting flux and radiative flux. The jet is significantly more powerful in the a(*) = 0.9 run. The net energy outflow rate in the two runs correspond to efficiencies of 5 per cent (a(*) = 0) and 33 per cent (a(*) = 0.9), as measured with respect to the mass accretion rate at the black hole. These efficiencies agree well with those measured in previous simulations of non-radiative geometrically thick discs. Furthermore, in the a(*) = 0.9 run, the outflow power appears to originate in the spinning black hole, suggesting that the associated physics is again similar in non-radiative and super-critical accretion flows. While the two simulations are efficient in terms of total energy outflow, both runs are radiatively inefficient. Their luminosities are only similar to 1-10L(Edd), which corresponds to a radiative efficiency similar to 0.1 per cent. Interestingly, most of the radiative luminosity emerges through the funnels where the local radiative flux is highly super-Eddington. C1 [Sadowski, Aleksander; Narayan, Ramesh] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02134 USA. [McKinney, Jonathan C.] Univ Maryland, Dept Phys, Joint Space Sci Inst, College Pk, MD 20742 USA. [Tchekhovskoy, Alexander] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Sadowski, A (reprint author), Harvard Smithsonian Ctr Astrophys, 60 Garden St, Cambridge, MA 02134 USA. EM asadowski@cfa.harvard.edu OI Narayan, Ramesh/0000-0002-1919-2730 FU NSF [AST1312651]; NASA [NNX11AE16G]; NSF via XSEDE resources [TG-AST080026N, TG-AST100040]; NASA via the High-End Computing (HEC) Program through the NASA Advanced Supercomputing (NAS) Division at Ames Research Center FX We thank Juri Poutanen and Ken Ohsuga for useful comments. RN and AS were supported in part by NSF grant AST1312651 and NASA grant NNX11AE16G. We also acknowledge computational support from NSF via XSEDE resources (grant TG-AST080026N to RN and AS, and grant TG-AST100040 to AT), and from NASA (to RN and AS) via the High-End Computing (HEC) Program through the NASA Advanced Supercomputing (NAS) Division at Ames Research Center. NR 76 TC 51 Z9 51 U1 0 U2 2 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD MAR PY 2014 VL 439 IS 1 BP 503 EP 520 DI 10.1093/mnras/stt2479 PG 18 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AD5MR UT WOS:000333297700054 ER PT J AU Zarzycki, CM Jablonowski, C Taylor, MA AF Zarzycki, Colin M. Jablonowski, Christiane Taylor, Mark A. TI Using Variable-Resolution Meshes to Model Tropical Cyclones in the Community Atmosphere Model SO MONTHLY WEATHER REVIEW LA English DT Article DE Model evaluation/performance; Multigrid models; Numerical analysis/modeling; General circulation models; Tropical cyclones ID SHALLOW-WATER EQUATIONS; AQUAPLANET SIMULATIONS; DYNAMICAL CORE; CLIMATE; GRIDS; SPHERE; AGCMS; GCM AB A statically nested, variable-mesh option has recently been introduced into the Community Atmosphere Model's (CAM's) Spectral Element (SE) dynamical core that has become the default in CAM version 5.3. This paper presents a series of tests of increasing complexity that highlight the use of variable-resolution grids in CAM-SE to improve tropical cyclone representation by dynamically resolving storms without requiring the computational demand of a global high-resolution grid. As a simplified initial test, a dry vortex is advected through grid transition regions in variable-resolution meshes on an irrotational planet with the CAM subgrid parameterization package turned off. Vortex structure and intensity is only affected by grid resolution and no spurious artifacts are observed. CAM-SE model simulations using an idealized tropical cyclone test case on an aquaplanet show no numerical distortion or wave reflection when the cyclone interacts with an abrupt transition region. Using the same test case, the authors demonstrate that a regionally refined mesh with significantly fewer degrees of freedom can produce the same local results as a globally uniform grid. Additionally, the authors discuss a more complex aquaplanet experiment with meridionally varying sea surface temperatures that reproduces a quasi-realistic global climate. Tropical cyclogenesis is facilitated without the need for vortex bogusing in a high-resolution patch embedded within a global grid that is otherwise too coarse to resolve realistic tropical cyclones in CAM. C1 [Zarzycki, Colin M.; Jablonowski, Christiane] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA. [Taylor, Mark A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Zarzycki, CM (reprint author), Univ Michigan, Dept Atmospher Ocean & Space Sci, 2455 Hayward St, Ann Arbor, MI 48109 USA. EM zarzycki@umich.edu RI Jablonowski, Christiane/I-9068-2012; Zarzycki, Colin/E-5691-2014 OI Jablonowski, Christiane/0000-0003-0407-0092; FU Office of Science, U.S. Department of Energy [DE-SC0003990, DE-SC0006684]; Department of Energy Office of Biological and Environmental Research [11-014996]; National Science Foundation; University of Michigan's Center for Advanced Computing at the College of Engineering FX The authors thank Michael N. Levy and Jose Garcia for their help with variable-resolution CAM-SE as well as Kevin Reed for assistance with the idealized test cases and graphical output. We also thank Lucas Harris and one anonymous reviewer for helpful comments that improved the original manuscript. Some of this work was completed during the "Multiscale Numerics for the Atmosphere and Ocean" Programme at the Issac Newton Institute for Mathematical Sciences in Cambridge, United Kingdom. Support for this work has been provided by the Office of Science, U.S. Department of Energy, Awards DE-SC0003990 and DE-SC0006684. M.A.T. was supported by the Department of Energy Office of Biological and Environmental Research, Work Package 11-014996. We acknowledge the high-performance computing support provided by NCAR's Computational and Information Systems Laboratory, which is sponsored by the National Science Foundation, as well as the University of Michigan's Center for Advanced Computing at the College of Engineering. NR 43 TC 17 Z9 17 U1 0 U2 11 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0027-0644 EI 1520-0493 J9 MON WEATHER REV JI Mon. Weather Rev. PD MAR PY 2014 VL 142 IS 3 BP 1221 EP 1239 DI 10.1175/MWR-D-13-00179.1 PG 19 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AB8PM UT WOS:000332052500015 ER PT J AU Sanford, T Frumhoff, PC Luers, A Gulledge, J AF Sanford, Todd Frumhoff, Peter C. Luers, Amy Gulledge, Jay TI The climate policy narrative for a dangerously warming world SO NATURE CLIMATE CHANGE LA English DT Editorial Material ID MORTALITY; RISKS C1 [Sanford, Todd] Union Concerned Scientists, Washington, DC 20006 USA. [Frumhoff, Peter C.] Union Concerned Scientists, Cambridge, MA 02238 USA. [Luers, Amy] Skoll Global Threats Fund, San Francisco, CA 94129 USA. [Gulledge, Jay] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Sanford, T (reprint author), Union Concerned Scientists, 1825 K St NW,Ste 800, Washington, DC 20006 USA. EM pfrumhoff@ucsusa.org RI Gulledge, Jay/G-3252-2010 OI Gulledge, Jay/0000-0002-9779-8690 NR 20 TC 32 Z9 32 U1 8 U2 25 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1758-678X EI 1758-6798 J9 NAT CLIM CHANGE JI Nat. Clim. Chang. PD MAR PY 2014 VL 4 IS 3 BP 164 EP 166 PG 3 WC Environmental Sciences; Environmental Studies; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA AE0PU UT WOS:000333669100010 ER PT J AU Wang, XY Wu, B Gao, F Li, X Sun, X Khaleel, MA Akinlalu, AV Liu, L AF Wang, Xiangyu Wu, Bin Gao, Fei Li, Xin Sun, Xin Khaleel, Mohammed A. Akinlalu, Ademola V. Liu, Li TI Molecular Dynamics Simulation of Thermodynamic Properties in Uranium Dioxide SO NUCLEAR SCIENCE AND ENGINEERING LA English DT Article ID NEUTRON-SCATTERING TECHNIQUES; THERMAL-CONDUCTIVITY; THERMOPHYSICAL PROPERTIES; INTERATOMIC POTENTIALS; PLUTONIUM OXIDE; 2000 K; UO2; TRANSPORT; TEMPERATURE; EQUILIBRIUM AB In the present study, we investigated the thermodynamic properties of uranium dioxide (UO2) by molecular dynamics (MD) simulations. As for solid UO2, the lattice parameter, density, and enthalpy obtained by MD simulations were in good agreement with existing experimental data and previous theoretical predictions. The calculated thermal conductivities matched the experiment results at the midtemperature range but were underestimated at very low and very high temperatures. The calculation results of mean square displacement represented the stability of uranium at all temperatures and the high mobility of oxygen toward 3000 K. By fitting the diffusivity constant of oxygen with the Vogel-FulcherTamman law, we noticed a secondary phase transition near 2006.4 K, which can be identified as a "strong'' to "fragile'' supercooled liquid or glass phase transition in UO2. By fitting the oxygen diffusion constant with the Arrhenius equation, activation energies of 2.0 and 2.7 eV that we obtained were fairly close to the recommended values of 2.3 to 2.6 eV. C1 [Wang, Xiangyu; Wu, Bin; Li, Xin; Akinlalu, Ademola V.; Liu, Li] Rensselaer Polytech Inst, Dept Mech Aerosp & Nucl Engn, Troy, NY 12180 USA. [Gao, Fei; Sun, Xin; Khaleel, Mohammed A.] Pacific NW Natl Lab, Fundamental Sci Directory, Richland, WA 99352 USA. RP Wang, XY (reprint author), Rensselaer Polytech Inst, Dept Mech Aerosp & Nucl Engn, Troy, NY 12180 USA. EM liue@rpi.edu OI khaleel, mohammad/0000-0001-7048-0749 FU U.S. Department of Energy (DOE) under NERI-C award [DE-FG07-07ID14889]; U.S. Nuclear Regulatory Commission [NRC-38-08-950]; DOE's Nuclear Energy Advanced Modeling and Simulation Program at Pacific Northwest National Laboratory FX Financial support by the U.S. Department of Energy (DOE) under NERI-C award DE-FG07-07ID14889 and the U.S. Nuclear Regulatory Commission under award NRC-38-08-950 is acknowledged. F. Gao, X. Sun, and M. A. Khaleel were supported by the DOE's Nuclear Energy Advanced Modeling and Simulation Program at Pacific Northwest National Laboratory, which is operated by Battelle Memorial Institute for the DOE. NR 26 TC 0 Z9 0 U1 1 U2 13 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5639 EI 1943-748X J9 NUCL SCI ENG JI Nucl. Sci. Eng. PD MAR PY 2014 VL 176 IS 3 BP 360 EP 369 PG 10 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AD6BR UT WOS:000333338800008 ER PT J AU Ma, Q Reeves, JH Liberles, DA Yu, LL Chang, Z Zhao, J Cui, J Xu, Y Liu, L AF Ma, Qin Reeves, Jaxk H. Liberles, David A. Yu, Lili Chang, Zheng Zhao, Jing Cui, Juan Xu, Ying Liu, Liang TI A phylogenetic model for understanding the effect of gene duplication on cancer progression SO NUCLEIC ACIDS RESEARCH LA English DT Article ID BREAST-CANCER; CLONAL EVOLUTION; FAMILY EVOLUTION; MUTATION; TUMOR; CELL; HETEROGENEITY; INITIATION; EMERGENCE; DYNAMICS AB As biotechnology advances rapidly, a tremendous amount of cancer genetic data has become available, providing an unprecedented opportunity for understanding the genetic mechanisms of cancer. To understand the effects of duplications and deletions on cancer progression, two genomes (normal and tumor) were sequenced from each of five stomach cancer patients in different stages (I, II, III and IV). We developed a phylogenetic model for analyzing stomach cancer data. The model assumes that duplication and deletion occur in accordance with a continuous time Markov Chain along the branches of a phylogenetic tree attached with five extended branches leading to the tumor genomes. Moreover, coalescence times of the phylogenetic tree follow a coalescence process. The simulation study suggests that the maximum likelihood approach can accurately estimate parameters in the phylogenetic model. The phylogenetic model was applied to the stomach cancer data. We found that the expected number of changes (duplication and deletion) per gene for the tumor genomes is significantly higher than that for the normal genomes. The goodness-of-fit test suggests that the phylogenetic model with constant duplication and deletion rates can adequately fit the duplication data for the normal genomes. The analysis found nine duplicated genes that are significantly associated with stomach cancer. C1 [Ma, Qin; Xu, Ying; Liu, Liang] Univ Georgia, Dept Biochem & Mol Biol, Athens, GA 30602 USA. [Ma, Qin; Xu, Ying; Liu, Liang] Univ Georgia, Inst Bioinformat, Athens, GA 30602 USA. [Reeves, Jaxk H.; Zhao, Jing; Liu, Liang] Univ Georgia, Dept Stat, Athens, GA 30602 USA. [Liberles, David A.] Univ Wyoming, Dept Mol Biol, Laramie, WY 82071 USA. [Yu, Lili] Georgia So Univ, Dept Biostat, Statesboro, GA 30458 USA. [Chang, Zheng] Shandong Univ, Sch Math, Jinan 250100, Peoples R China. [Cui, Juan] Univ Nebraska, Dept Comp Sci & Engn, Lincoln, NE 68588 USA. [Xu, Ying] BioEnergy Sci Ctr, Oak Ridge, TN 37830 USA. [Xu, Ying] Jilin Univ, Coll Comp Sci Technol, Changchun, Jilin, Peoples R China. RP Liu, L (reprint author), Univ Georgia, Dept Biochem & Mol Biol, Athens, GA 30602 USA. EM xyn@bmb.uga.edu; lliu@uga.edu RI Ma, Qin/O-1525-2013 OI Ma, Qin/0000-0002-3264-8392 FU National Science Foundation [DMS-1222745, DMS-1222940, DEB-0830024]; DOE BioEnergy Science Center [DE-PS02-717 06ER64304, DOE 4000063512] FX National Science Foundation Grant [DMS-1222745] to Dr Liu and National Science Foundation Grant [DMS-1222940] to Dr Liberles. Funding for open access charge: National Science Foundation Grant [DEB-0830024] and the DOE BioEnergy Science Center [contract no. DE-PS02-717 06ER64304] [DOE 4000063512]. NR 50 TC 2 Z9 2 U1 0 U2 7 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0305-1048 EI 1362-4962 J9 NUCLEIC ACIDS RES JI Nucleic Acids Res. PD MAR PY 2014 VL 42 IS 5 BP 2870 EP 2878 DI 10.1093/nar/gkt1320 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA AD2VJ UT WOS:000333093600014 PM 24371277 ER PT J AU Davis, MJ Janke, R Magnuson, ML AF Davis, Michael J. Janke, Robert Magnuson, Matthew L. TI A Framework for Estimating the Adverse Health Effects of Contamination Events in Water Distribution Systems and its Application SO RISK ANALYSIS LA English DT Article DE drinking water; contamination events; terrorist attacks; Consequence analysis; water distribution systems ID DRINKING-WATER; ENVIRONMENTAL-CONDITIONS; MODEL; ORGANOPHOSPHORUS; PESTICIDES; EXPOSURE; IMPACTS AB Intentional or accidental releases of contaminants into a water distribution system (WDS) have the potential to cause significant adverse health effects among individuals consuming water from the system. A flexible analysis framework is presented here for estimating the magnitude of such potential effects and is applied using network models for 12 actual WDSs of varying sizes. Upper bounds are developed for the magnitude of adverse effects of contamination events in WDSs and evaluated using results from the 12 systems. These bounds can be applied in cases in which little system-specific information is available. The combination of a detailed, network-specific approach and a bounding approach allows consequence assessments to be performed for systems for which varying amounts of information are available and addresses important needs of individual utilities as well as regional or national assessments. The approach used in the analysis framework allows contaminant injections at any or all network nodes and uses models that (1)account for contaminant transport in the systems, including contaminant decay, and (2)provide estimates of ingested contaminant doses for the exposed population. The approach can be easily modified as better transport or exposure models become available. The methods presented here provide the ability to quantify or bound potential adverse effects of contamination events for a wide variety of possible contaminants and WDSs, including systems without a network model. C1 [Davis, Michael J.] Argonne Natl Lab, Div Environm Sci, Argonne, IL 60439 USA. [Janke, Robert; Magnuson, Matthew L.] US EPA, Natl Homeland Secur Res Ctr, Cincinnati, OH 45268 USA. RP Davis, MJ (reprint author), Argonne Natl Lab, Div Environm Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM mike_davis@anl.gov FU U.S. Environmental Protection Agency's (EPA) Office of Research and Development; EPA under U.S. Department of Energy [DE-AC02-06CH11357] FX The U.S. Environmental Protection Agency's (EPA) Office of Research and Development funded, managed, and participated in the research described here under an interagency agreement. The views expressed in this article are those of the authors and do not necessarily reflect the views or policies of EPA. Work at Argonne National Laboratory was sponsored by the EPA under interagency agreement through U.S. Department of Energy Contract DE-AC02-06CH11357. An anonymous reviewer suggested the use of a simple mass-based bounding model. All postsimulation data analysis and preparation of graphics for this article were done using R.(35) NR 35 TC 3 Z9 3 U1 0 U2 10 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0272-4332 EI 1539-6924 J9 RISK ANAL JI Risk Anal. PD MAR PY 2014 VL 34 IS 3 BP 498 EP 513 DI 10.1111/risa.12107 PG 16 WC Public, Environmental & Occupational Health; Mathematics, Interdisciplinary Applications; Social Sciences, Mathematical Methods SC Public, Environmental & Occupational Health; Mathematics; Mathematical Methods In Social Sciences GA AD3MK UT WOS:000333143000008 PM 24102461 ER PT J AU Zhang, Y Hsieh, YC Volkov, V Su, D An, W Si, R Zhu, YM Liu, P Wang, JX Adzic, RR AF Zhang, Yu Hsieh, Yu-Chi Volkov, Vyacheslav Su, Dong An, Wei Si, Rui Zhu, Yimei Liu, Ping Wang, Jia X. Adzic, Radoslav R. TI High Performance Pt Mono layer Catalysts Produced via Core-Catalyzed Coating in Ethanol SO ACS CATALYSIS LA English DT Article DE core shell; atomic layer coating; platinum monolayer; electrocatalysis; nanostructure; oxygen reduction; catalyst ID OXYGEN REDUCTION REACTION; PLATINUM-MONOLAYER ELECTROCATALYSTS; LIMITED REDOX REPLACEMENT; SELECTIVE OXIDATION; SHELL NANOPARTICLES; FUEL-CELLS; PT-ALLOY; PD CORES; DEPOSITION; SURFACES AB Platinum monolayer core-shell nanocatalysts were shown to have excellent catalytic activities and stabilities. Usually, they are fabricated via electrochemical routes. Here, we report a surfactant-free, ethanol-based, wet chemical approach to coating Pd nanoparticles with uniform Pt atomic layers, inspired by aerobic alcohol oxidation catalyzed by the Pd cores. The as-prepared Pt monolayer electrocatalysts also exhibited high electrocatalytic performance toward the oxygen reduction reaction. C1 [Zhang, Yu; Hsieh, Yu-Chi; An, Wei; Si, Rui; Liu, Ping; Wang, Jia X.; Adzic, Radoslav R.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Volkov, Vyacheslav; Zhu, Yimei] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Su, Dong] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Wang, JX (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM jia@bnl.gov; adzic@bnl.gov RI Wang, Jia/B-6346-2011; An, Wei/E-9270-2010; Su, Dong/A-8233-2013; OI An, Wei/0000-0002-0760-1357; Su, Dong/0000-0002-1921-6683; Hsieh, Yu-Chi/0000-0003-0823-6571; Zhang, Yu/0000-0002-0814-2965 FU Brookhaven National Laboratory (BNL) [DE-AC02-98CH10886]; U.S. Department of Energy (DOE); Office of Science of the U.S. DOE [DE-AC02-0SCH11231] FX This research was performed at Brookhaven National Laboratory (BNL) under Contract DE-AC02-98CH10886 with the U.S. Department of Energy (DOE). The DFT calculations were performed using computational resources at the Center for Functional Nanomaterials of BNL, and at the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the U.S. DOE under Contract No. DE-AC02-0SCH11231. NR 52 TC 32 Z9 32 U1 14 U2 137 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2155-5435 J9 ACS CATAL JI ACS Catal. PD MAR PY 2014 VL 4 IS 3 BP 738 EP 742 DI 10.1021/cs401091u PG 5 WC Chemistry, Physical SC Chemistry GA AC8AZ UT WOS:000332756700004 ER PT J AU Sturgeon, MR Kim, S Lawrence, K Paton, RS Chmely, SC Nimlos, M Foust, TD Beckham, GT AF Sturgeon, Matthew R. Kim, Seonah Lawrence, Kelsey Paton, Robert S. Chmely, Stephen C. Nimlos, Mark Foust, Thomas D. Beckham, Gregg T. TI A Mechanistic Investigation of Acid-Catalyzed Cleavage of Aryl-Ether Linkages: Implications for Lignin Depolymerization in Acidic Environments SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING LA English DT Article DE Density functional theory; Biofuels; beta-O-4; Ether bond ID BETA-O-4 BOND-CLEAVAGE; MOLECULAR-WEIGHT PHENOLS; PHENETHYL PHENYL ETHERS; PLANT-CELL-WALL; C-O BONDS; SULFURIC-ACID; CHEMICAL-STRUCTURES; MODEL COMPOUNDS; LIGNOCELLULOSIC BIOMASS; BIOFUEL PRODUCTION AB Acid catalysis has long been used to depolymerize plant cell wall polysaccharides, and the mechanisms by which acid affects carbohydrates have been extensively studied. Lignin depolymerization, however, is not as well understood, primarily due to the heterogeneity and reactivity of lignin. We present an experimental and theoretical study of acid-catalyzed cleavage of two non-phenolic and two phenolic dimers that exhibit the beta-O-4 ether linkage, the most common intermonomer bond in lignin. This work demonstrates that the rate of acid-catalyzed beta-O-4 cleavage in dimers exhibiting a phenolic hydroxyl group is 2 orders of magnitude faster than in non-phenolic dimers. The experiments suggest that the major product distribution is similar for all model compounds, but a stable phenyl-dihydrobenzofuran species is observed in the acidolysis of two of the gamma-carbinol containing model compounds. The presence of a methoxy substituent, commonly found in native lignin, prevents the formation of this intermediate. Reaction pathways were examined with quantum mechanical calculations, which aid in explaining the substantial differences in reactivity. Moreover, we use a radical scavenger to show that the commonly proposed homolytic cleavage pathway of phenolic beta-O-4 linkages is unlikely in acidolysis conditions. Overall, this study explains the disparity between rates of beta-O-4 cleavage seen in model compound experiments and acid pretreatment of biomass, and implies that depolymerization of lignin during acid-catalyzed pretreatment or fractionation will proceed via a hetcrolytic, unzipping mechanism wherein beta-O-4 linkages are cleaved from the phenolic ends of branched, polymer chains inward toward the core of the polymer. C1 [Sturgeon, Matthew R.; Kim, Seonah; Lawrence, Kelsey; Nimlos, Mark; Foust, Thomas D.; Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Adv Biofuels Consortium, Golden, CO 80401 USA. [Sturgeon, Matthew R.; Kim, Seonah; Chmely, Stephen C.; Foust, Thomas D.; Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. [Paton, Robert S.] Univ Oxford, Chem Res Lab, Oxford OX1 3TA, England. [Beckham, Gregg T.] Colorado Sch Mines, Dept Chem Engn, Golden, CO 80401 USA. RP Beckham, GT (reprint author), Natl Renewable Energy Lab, Natl Adv Biofuels Consortium, Golden, CO 80401 USA. EM Gregg.beckham@nrel.gov RI Paton, Robert/A-4564-2010 OI Paton, Robert/0000-0002-0104-4166 FU DOE BioEnergy Technologies Office through American Recovery and Reinvestment Act Funds; Oxford University Press John Fell Fund; Royal Society [RG RG110617]; DOE Office of EERE [DE-AC36-08G028308] FX We acknowledge funding from the National Advanced Biofuels Consortium, which is funded by the DOE BioEnergy Technologies Office through American Recovery and Reinvestment Act Funds. R.S.P. thanks the Oxford University Press John Fell Fund and the Royal Society (RG RG110617) for funding. We acknowledge Marykate O'Brien, Jessica Hamlin, and Kellene McKinney for their help synthesizing model compounds, Luc Moens for his insightful mechanistic discussions, William Michener and Erica Gjersing for analysis, and J. D. McMillan for a critical reading of the manuscript. Computer time was provided by the Trestles and Gordon clusters at the San Diego Supercomputing Center and the Ember cluster at NCSA under the NSF XSEDE Grant MCB090159 and by the NREL Computational Sciences Center supported by the DOE Office of EERE under Contract Number DE-AC36-08G028308. NR 94 TC 47 Z9 47 U1 9 U2 154 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2168-0485 J9 ACS SUSTAIN CHEM ENG JI ACS Sustain. Chem. Eng. PD MAR PY 2014 VL 2 IS 3 BP 472 EP 485 DI 10.1021/sc400384w PG 14 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Chemical SC Chemistry; Science & Technology - Other Topics; Engineering GA AC2QK UT WOS:000332348800019 ER PT J AU Eastwood, DS Yufit, V Gelb, J Gu, A Bradley, RS Harris, SJ Brett, DJL Brandon, NP Lee, PD Withers, PJ Shearing, PR AF Eastwood, David S. Yufit, Vladimir Gelb, Jeff Gu, Allen Bradley, Robert S. Harris, Stephen J. Brett, Daniel J. L. Brandon, Nigel P. Lee, Peter D. Withers, Philip J. Shearing, Paul R. TI Lithiation- Induced Dilation Mapping in a Lithium- Ion Battery Electrode by 3D X- Ray Microscopy and Digital Volume Correlation SO ADVANCED ENERGY MATERIALS LA English DT Article DE batteries; digital volume correlation; lithiation; lithium-ion batteries; X-ray microscopy ID COMPUTED-TOMOGRAPHY; OXIDES; CT AB Recent advances in high-resolution 3D X-ray computed tomography (CT) allow detailed, non-destructive 3D structural mapping of a complete lithium-ion battery. By repeated 3D image acquisition (time lapse CT imaging) these investigations of material microstructure are extended into the fourth dimension (time) to study structural changes of the device in operando. By digital volume correlation (DVC) of successive 3D images the dimensional changes taking place during charge cycling are quantified at the electrode level and at the Mn2O4 particle scale. After battery discharging, the extent of lithiation of the manganese (III/IV) oxide grains in the electrode is found to be a function of the distance from the battery terminal with grains closest to the electrode/current collector interface having the greatest expansion (approximate to 30%) and grains furthest from the current collector and closest to the counter electrode showing negligible dilation. This implies that the discharge is limited by electrical conductivity. This new CT+DVC technique is widely applicable to the 3D exploration of the microstructural degradation processes for a range of energy materials including fuel cells, capacitors, catalysts, and ceramics. C1 [Eastwood, David S.; Bradley, Robert S.; Lee, Peter D.; Withers, Philip J.] Univ Manchester, Sch Mat, Manchester M13 9PL, Lancs, England. [Eastwood, David S.; Lee, Peter D.; Withers, Philip J.] Res Complex Harwell, Didcot OX11 0FA, Oxon, England. [Yufit, Vladimir; Brandon, Nigel P.] Univ London Imperial Coll Sci Technol & Med, Dept Earth Sci & Engn, London SW7 2AZ, England. [Gelb, Jeff; Gu, Allen] Carl Zeiss Xray Microscopy, Pleasanton, CA 94588 USA. [Harris, Stephen J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Brett, Daniel J. L.; Shearing, Paul R.] UCL, Dept Chem Engn, London WC1E 7JE, England. RP Eastwood, DS (reprint author), Univ Manchester, Sch Mat, Manchester M13 9PL, Lancs, England. EM david.eastwood@manchester.ac.uk; peter.lee@manchester.ac.uk; p.shearing@ucl.ac.uk RI Lee, Peter/R-2323-2016; OI Lee, Peter/0000-0002-3898-8881; Brett, Dan/0000-0002-8545-3126 FU Office of Naval Research Global; EPSRC [EP/I02249X/1]; Royal Academy of Engineering; Research Complex at Harwell; Manchester-Diamond Collaboration FX The authors gratefully acknowledge financial support from the Office of Naval Research Global, the EPSRC (EP/I02249X/1), the Royal Academy of Engineering, the Research Complex at Harwell, and the Manchester-Diamond Collaboration. NR 26 TC 17 Z9 17 U1 7 U2 67 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1614-6832 EI 1614-6840 J9 ADV ENERGY MATER JI Adv. Energy Mater. PD MAR PY 2014 VL 4 IS 4 AR 1300506 DI 10.1002/aenm.201300506 PG 7 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Energy & Fuels; Materials Science; Physics GA AD0LE UT WOS:000332924700006 ER PT J AU Yamaguchi, H Granstrom, J Nie, WY Sojoudi, H Fujita, T Voiry, D Chen, MW Gupta, G Mohite, AD Graham, S Chhowalla, M AF Yamaguchi, Hisato Granstrom, Jimmy Nie, Wanyi Sojoudi, Hossein Fujita, Takeshi Voiry, Damien Chen, Mingwei Gupta, Gautam Mohite, Aditya D. Graham, Samuel Chhowalla, Manish TI Reduced Graphene Oxide Thin Films as Ultrabarriers for Organic Electronics SO ADVANCED ENERGY MATERIALS LA English DT Article DE gas barrier; graphene oxide; solution processing; organic electronics ID SOLAR-CELLS; BARRIER; TRANSPARENT; PERMEATION; REDUCTION; COMPOSITE; EVOLUTION; MEMBRANES; WATER; P3HT AB Encapsulation of electronic devices based on organic materials that are prone to degradation even under normal atmospheric conditions with hermetic barriers is crucial for increasing their lifetime. A challenge is to develop ultrabarriers that are impermeable, flexible, and preferably transparent. Another important requirement is that they must be compatible with organic electronics fabrication schemes (i.e., must be solution processable, deposited at room temperature and be chemically inert). Here, a lifetime increase of 1300 h for poly(3-hexylthiophene) (P3HT) films encapsulated by uniform and continuous thin (approximate to 10 nm) films of reduced graphene oxide (rGO) is reported. This level of protection against oxygen/water vapor diffusion is substantially better than conventional polymeric barriers such as Cytop, which degrades after only 350 h despite being 400 nm thick. Analysis using atomic force microscopy, X-ray photoelectron spectroscopy, and high-resolution transmission electron microscopy suggest that the superior oxygen gas/moisture barrier property of rGO is due to the close interlayer distance packing and absence of pinholes within the impermeable sheets. These material properties can be correlated to the enhanced lag time of 500 h. The results provide new insight for the design of high-performance and solution-processable transparent ultrabarriers for a wide range of encapsulation applications. C1 [Yamaguchi, Hisato; Voiry, Damien; Chhowalla, Manish] Rutgers State Univ, Dept Mat Sci & Engn, Piscataway, NJ 08854 USA. [Yamaguchi, Hisato; Nie, Wanyi; Gupta, Gautam; Mohite, Aditya D.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol CINT, Mat Phys & Applicat MPA Div, Los Alamos, NM 87545 USA. [Granstrom, Jimmy; Sojoudi, Hossein; Graham, Samuel] Georgia Inst Technol, Ctr Organ Photon & Elect, Atlanta, GA 30332 USA. [Granstrom, Jimmy; Sojoudi, Hossein; Graham, Samuel] Georgia Inst Technol, Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. [Fujita, Takeshi; Chen, Mingwei] Tohoku Univ, WPI Adv Inst Mat Res, Aoba Ku, Sendai, Miyagi 9808577, Japan. RP Yamaguchi, H (reprint author), Rutgers State Univ, Dept Mat Sci & Engn, 607 Taylor Rd, Piscataway, NJ 08854 USA. EM hisatoy@lanl.gov; manish1@rci.rutgers.edu RI Fujita, Takeshi/B-1867-2009; Yamaguchi, Hisato/C-5571-2008; 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 Rutgers University; Japanese Society for the Promotion of Science (JSPS) Postdoctoral Fellowship; Laboratory Directed Research and Development (LDRD) Director's Postdoctoral Fellowship of Los Alamos National Laboratory (LANL); Center on Materials and Devices for Information Technology Research (CDMITR); National Science Foundation (NSF) [0120967]; NSF CMMI [0927736]; Japan Science and Technology Agency (JST), PRESTO FX The authors acknowledge K. Kuraoka of Kobe University, Japan and G. Eda of National University of Singapore for their technical supports at the initial stage of the work. Authors also acknowledge E. Cheng, J. Kim, and R. Kappera of Rutgers University for the experimental support, D. Watanabe of Tohoku University, Japan for the technical support. H.Y., D. V., M. C. acknowledge Donald H. Jacobs' Chair funding from Rutgers University. H.Y. acknowledges the Japanese Society for the Promotion of Science (JSPS) Postdoctoral Fellowship for Research Abroad, and Laboratory Directed Research and Development (LDRD) Director's Postdoctoral Fellowship of Los Alamos National Laboratory (LANL) for financial support. This research was funded in part by the Center on Materials and Devices for Information Technology Research (CDMITR), the National Science Foundation (NSF) grant #0120967, NSF CMMI 0927736, and Japan Science and Technology Agency (JST), PRESTO. NR 31 TC 19 Z9 19 U1 8 U2 103 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1614-6832 EI 1614-6840 J9 ADV ENERGY MATER JI Adv. Energy Mater. PD MAR PY 2014 VL 4 IS 4 AR 1300986 DI 10.1002/aenm.201300986 PG 6 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Energy & Fuels; Materials Science; Physics GA AD0LE UT WOS:000332924700001 ER PT J AU Katipamula, S Wang, WM Vowles, M AF Katipamula, Srinivas Wang, Weimin Vowles, Mira TI Improving Operating Efficiency Of Packaged Air Conditioners & Heat Pumps SO ASHRAE JOURNAL LA English DT Article C1 [Katipamula, Srinivas; Wang, Weimin] Pacific NW Natl Lab, Richland, WA 99352 USA. [Vowles, Mira] Bonneville Power Adm, Energy Efficiency Dept, Portland, OR USA. RP Katipamula, S (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. NR 2 TC 0 Z9 0 U1 0 U2 1 PU AMER SOC HEATING REFRIGERATING AIR-CONDITIONING ENG, INC, PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2491 EI 1943-6637 J9 ASHRAE J JI ASHRAE J. PD MAR PY 2014 VL 56 IS 3 BP 36 EP 54 PG 19 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA AC8YH UT WOS:000332820500008 ER PT J AU Ebadian, M Sowlati, T Sokhansanj, S Smith, LT Stumborg, M AF Ebadian, Mahmood Sowlati, Taraneh Sokhansanj, Shahab Smith, Lawrence T. Stumborg, Mark TI Development of an integrated tactical and operational planning model for supply of feedstock to a commercial-scale bioethanol plant SO BIOFUELS BIOPRODUCTS & BIOREFINING-BIOFPR LA English DT Article DE bioethanol; biomass supply chain; integrated simulation; optimization modeling; operational planning; tactical planning ID LOGISTICS SYSTEM-DESIGN; FUEL DELIVERY-SYSTEMS; SIMULATION-MODEL; BIOENERGY INDUSTRY; BIOMASS; OPTIMIZATION; CHAIN; IBSAL; SHAM; L. AB In this paper, a new modeling approach is proposed to integrate the tactical and operational planning levels in the biomass supply chain. The proposed approach includes an optimization model and a simulation model. The integration is made between these models (i) to assure the fulfillment of the daily biomass demand year-round for a commercial-scale cellulosic ethanol plant and (ii) to reduce biomass delivery costs. The optimization model prescribes the design of the supply area in a way that the annual biomass demand is met at a minimum delivery cost for a five-year planning horizon. Given the design of the supply area, the simulation model schedules the flow of multi-biomass in the supply chain to meet the daily biomass demand of the ethanol plant subject to the dynamics and uncertainties in the supply chain. If the daily demand cannot be met, the outputs of the simulation model are used to adjust the design in the optimization model to assure the fulfillment of the daily demand. The application of the integrated model to a proposed commercial-sized bioethanol plant shows the efficiency of the integrated approach to design the supply area in a way that the daily biomass demand is met at the minimum delivery cost possible. The results of the sensitivity analysis reveal that the most influential parameter on the design is biomass yield. In addition, bale bulk density, in-farm and road transportation operations, and farmer participation rates have the highest impact on delivery cost compared to other input parameters. (c) 2013 Society of Chemical Industry and John Wiley & Sons, Ltd C1 [Ebadian, Mahmood; Sokhansanj, Shahab] Univ British Columbia, Vancouver, BC V6T 1Z4, Canada. [Sowlati, Taraneh] Univ British Columbia, Fac Forestry, Dept Wood Sci, Vancouver, BC V6T 1Z4, Canada. [Sokhansanj, Shahab] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Smith, Lawrence T.] Agr & Agri Food Canada, Natl Agroclimate Informat Serv, Regina, SK, Canada. [Stumborg, Mark] Agr & Agri Food Canada, Semiarid Prairie Agr Res Ctr, Swift Current, SK, Canada. RP Sowlati, T (reprint author), Univ British Columbia, Dept Wood Sci, 2931-2424 Main Mall, Vancouver, BC V6T 1Z4, Canada. EM taraneh.sowlati@ubc.ca FU University of British Columbia's Graduate Fellowship; Natural Sciences and Engineering Research Council of Canada; Agriculture and Agri-Food; BC Ministry of Forest, Lands and Natural Resource Operations FX This study is funded in part through the University of British Columbia's Graduate Fellowship, the Natural Sciences and Engineering Research Council of Canada, Agriculture and Agri-Food and the BC Ministry of Forest, Lands and Natural Resource Operations. The Oak Ridge National laboratory is acknowledged for providing data and helping in the validation of the developed models. NR 27 TC 4 Z9 4 U1 2 U2 17 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1932-104X EI 1932-1031 J9 BIOFUEL BIOPROD BIOR JI Biofuels Bioprod. Biorefining PD MAR PY 2014 VL 8 IS 2 BP 171 EP 188 DI 10.1002/bbb.1446 PG 18 WC Biotechnology & Applied Microbiology; Energy & Fuels SC Biotechnology & Applied Microbiology; Energy & Fuels GA AC4UY UT WOS:000332517800014 ER PT J AU Wang, ZC Dunn, JB Han, J Wang, MQ AF Wang, Zhichao Dunn, Jennifer B. Han, Jeongwoo Wang, Michael Q. TI Effects of co-produced biochar on life cycle greenhouse gas emissions of pyrolysis-derived renewable fuels SO BIOFUELS BIOPRODUCTS & BIOREFINING-BIOFPR LA English DT Article DE fast pyrolysis; biochar; life-cycle analysis; greenhouse gas emissions; biofuels; carbon abatement ID BLACK CARBON; ORGANIC-CARBON; CLIMATE-CHANGE; SOIL; BIOMASS; SYSTEMS; STABILIZATION; IMPACT; MANURE AB Biochar is a co-product from biomass pyrolysis that can sequester carbon when applied to soils. It may also reduce N2O and CH4 emissions from soils, increase fertilizer efficiency, increase soil organic carbon, and increase crop yields. Treatment of these additional agricultural effects in life cycle analyses (LCAs) of pyrolysis-based liquid fuels could significantly influence LCA results. In this study, we include these effects in analyses of fast and slow pyrolysis. We also consider scenarios in which biochar is combusted to produce electricity. Probability distribution functions are developed for biochar yield and carbon content whereas average, minimum, and maximum values for biochar's stability factor and agricultural effects are developed from a thorough literature review and used in baseline and sensitivity analyses. Overall, life-cycle greenhouse gas (GHG) emissions for pyrolysis-based gasoline are lower when biochar is applied to soil than when it is combusted. Carbon abatement (CA) values of fast and slow pyrolysis fuel production systems are comparable. CA is reduced for an alternative fast pyrolysis system in which the pyrolysis oil is combusted for heat and electricity generation rather than upgraded to a hydrocarbon fuel. In the baseline case with biochar soil application, inclusion of agricultural effects reduces GHG emissions by 2.1 g CO(2)e/MJ from 16 g CO(2)e/MJ. Biochar carbon content and yield exert the strongest influence on GHG emissions results. Results are also sensitive to biochar's ability to suppress N2O emissions and increase soil organic carbon, which are subject to high uncertainty. (c) 2013 Society of Chemical Industry and John Wiley & Sons, Ltd C1 [Wang, Zhichao] Argonne Natl Lab, Area Biofuel Life Cycle Anal, Argonne, IL 60439 USA. [Dunn, Jennifer B.] Argonne Natl Lab, Biofuel Life Cycle Anal Team, Argonne, IL 60439 USA. [Han, Jeongwoo] Argonne Natl Lab, Argonne, IL 60439 USA. [Wang, Michael Q.] Argonne Natl Lab, Syst Assessment Grp, Div Energy Syst, Argonne, IL 60439 USA. RP Dunn, JB (reprint author), Argonne Natl Lab, Syst Assessment Sect, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jdunn@anl.gov FU Biomass Program of the Energy Efficiency and Renewable Energy Office of the U.S. Department of Energy [DE-AC02-06CH11357] FX This study was supported by the Biomass Program of the Energy Efficiency and Renewable Energy Office of the U.S. Department of Energy under Contract No. DE-AC02-06CH11357. The authors thank Zia Haq, Kristen Johnson, and Alicia Lindauer of the Bioenergy Technology Office for their support and guidance. NR 50 TC 3 Z9 3 U1 5 U2 53 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1932-104X EI 1932-1031 J9 BIOFUEL BIOPROD BIOR JI Biofuels Bioprod. Biorefining PD MAR PY 2014 VL 8 IS 2 BP 189 EP 204 DI 10.1002/bbb.1447 PG 16 WC Biotechnology & Applied Microbiology; Energy & Fuels SC Biotechnology & Applied Microbiology; Energy & Fuels GA AC4UY UT WOS:000332517800015 ER PT J AU Chum, HL Warner, E Seabra, JEA Macedo, IC AF Chum, Helena L. Warner, Ethan Seabra, Joaquim E. A. Macedo, Isaias C. TI A comparison of commercial ethanol production systems from Brazilian sugarcane and US corn SO BIOFUELS BIOPRODUCTS & BIOREFINING-BIOFPR LA English DT Article DE sugarcane; corn; ethanol; trade; life cycle assessment; greenhouse gas ID GREENHOUSE-GAS EMISSIONS; LIFE-CYCLE ASSESSMENT; BIOENERGY; ENERGY; BIOETHANOL; BIOMASS AB Global biofuels production grew rapidly from 2007 to 2012, led by the United States and Brazil, the world's two largest fuel-ethanol-producing systems. In this paper we provide insights into the characteristics of mature Brazilian sugarcane and maturing US dry mill corn ethanol industries. Both systems continue to improve as measured by life cycle data such as total renewable energy produced per unit of fossil energy consumed [renewable energy ratio (RER)]. Sugarcane self-benchmarking systems showed RER values of 7.0 in 2002 to 9.4 in 2009 as the industry started to switch to mechanized harvesting. The average US RER improved from 1.1 to 1.7 from 2000 to 2010. RERs of 4.4 to 5.5 are observed in corn ethanol plants employing natural gas or corn stover combined heat and power. Ethanol systems configured to produce ethanol and electricity had similar net energy balances (a ratio of net energy produced to energy contained in the fuel). One measure of greenhouse gas (GHG) emissions reductions (biomass use efficiency) compares the effectiveness of displacing carbon from combustion of fossil fuels with renewable carbon. Advanced corn ethanol systems reach higher GHG emission reduction levels compared to sugarcane ethanol by displacing coal-based electricity. Sugarcane systems achieve double the GHG emissions reductions per unit of harvested land relative to corn ethanol because sugarcane and corn are grown as perennial and annual crops in tropical and temperate climatic zones, respectively. Carbon dioxide capture and storage systems could offer additional GHG emission reductions for both corn and sugarcane ethanol systems. (c) 2013 Society of Chemical Industry and John Wiley & Sons, Ltd C1 [Chum, Helena L.; Warner, Ethan] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Seabra, Joaquim E. A.; Macedo, Isaias C.] Univ Estadual Campinas, Sao Paulo, Brazil. RP Warner, E (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM ethan.warner@nrel.gov NR 73 TC 9 Z9 9 U1 6 U2 47 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1932-104X EI 1932-1031 J9 BIOFUEL BIOPROD BIOR JI Biofuels Bioprod. Biorefining PD MAR PY 2014 VL 8 IS 2 BP 205 EP 223 DI 10.1002/bbb.1448 PG 19 WC Biotechnology & Applied Microbiology; Energy & Fuels SC Biotechnology & Applied Microbiology; Energy & Fuels GA AC4UY UT WOS:000332517800016 ER PT J AU Hines, WC Su, Y Kuhn, I Polyak, K Bissell, MJ AF Hines, William C. Su, Ying Kuhn, Irene Polyak, Kornelia Bissell, Mina J. TI Sorting Out the FACS: A Devil in the Details SO CELL REPORTS LA English DT Editorial Material C1 [Hines, William C.; Kuhn, Irene; Bissell, Mina J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Su, Ying; Polyak, Kornelia] Dana Farber Canc Inst, Dept Med Oncol, Boston, MA 02215 USA. [Su, Ying; Polyak, Kornelia] Brigham & Womens Hosp, Dept Med, Boston, MA 02115 USA. [Su, Ying; Polyak, Kornelia] Harvard Univ, Sch Med, Dept Med, Boston, MA 02115 USA. RP Hines, WC (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Mailstop 977R225A,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM chines@lbl.gov; ying_su@dfci.harvard.edu FU NCI NIH HHS [R01CA140663,, CA116235-04S1, P01 CA080111, P50 CA89383, R37CA064786,, U01 CA143233, U54CA112970,, U54CA143836] NR 7 TC 22 Z9 22 U1 1 U2 10 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 2211-1247 J9 CELL REP JI Cell Reports PD MAR PY 2014 VL 6 IS 5 BP 779 EP 781 DI 10.1016/j.celrep.2014.02.021 PG 3 WC Cell Biology SC Cell Biology GA AD2BL UT WOS:000333037800001 PM 24630040 ER PT J AU Zhao, LX Hua, T Crowley, C Ru, H Ni, XM Shaw, N Jiao, LY Ding, W Qu, L Hung, LW Huang, W Liu, L Ye, KQ Ouyang, SY Cheng, GH Liu, ZJ AF Zhao, Lixia Hua, Tian Crowley, Christopher Ru, Heng Ni, Xiangmin Shaw, Neil Jiao, Lianying Ding, Wei Qu, Lu Hung, Li-Wei Huang, Wei Liu, Lei Ye, Keqiang Ouyang, Songying Cheng, Genhong Liu, Zhi-Jie TI Structural analysis of asparaginyl endopeptidase reveals the activation mechanism and a reversible intermediate maturation stage SO CELL RESEARCH LA English DT Article DE asparaginyl endopeptidase; autoproteolytic maturation; crystal structure; innate immunity ID RAY SOLUTION SCATTERING; MAMMALIAN LEGUMAIN; MACROMOLECULAR STRUCTURES; ANTIGEN PRESENTATION; CYSTEINE PROTEASES; RECEPTOR 9; CLEAVAGE; PROTEIN; SITE; DIFFRACTION AB Asparaginyl endopeptidase (AEP) is an endo/lysosomal cysteine endopeptidase with a preference for an asparagine residue at the P1 site and plays an important role in the maturation of toll-like receptors 3/7/9. AEP is known to undergo autoproteolytic maturation at acidic pH for catalytic activation. Here, we describe crystal structures of the AEP proenzyme and the mature forms of AEP. Structural comparisons between AEP and caspases revealed similarities in the composition of key residues and in the catalytic mechanism. Mutagenesis studies identified N44, R46, H150, E189, C191, S217/S218 and D233 as residues that are essential for the cleavage of the peptide substrate. During maturation, autoproteolytic cleavage of AEP's cap domain opens up access to the active site on the core domain. Unexpectedly, an intermediate autoproteolytic maturation stage was discovered at approximately pH 4.5 in which the partially activated AEP could be reversed back to its proenzyme form. This unique feature was confirmed by the crystal structure of AEPpH4.5 (AEP was matured at pH 4.5 and crystallized at pH 8.5), in which the broken peptide bonds were religated and the structure was transformed back to its proenzyme form. Additionally, the AEP inhibitor cystatin C could be digested by the fully activated AEP, but could not be digested by activated cathepsins. Thus, we demonstrate for the first time that cystatins may regulate the activity of AEP through substrate competition for the active site. C1 [Zhao, Lixia; Hua, Tian; Ru, Heng; Ni, Xiangmin; Shaw, Neil; Jiao, Lianying; Ding, Wei; Qu, Lu; Ouyang, Songying; Liu, Zhi-Jie] Chinese Acad Sci, Inst Biophys, Natl Lab Biomacromol, Beijing 100101, Peoples R China. [Zhao, Lixia; Huang, Wei; Liu, Zhi-Jie] ShanghaiTech Univ, iHuman Inst, Shanghai 201210, Peoples R China. [Crowley, Christopher; Cheng, Genhong] Univ Calif Los Angeles, Dept Microbiol Immunol & Mol Genet, Los Angeles, CA 90095 USA. [Hung, Li-Wei] Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. [Liu, Lei] Tsinghua Univ, Dept Chem, Key Lab Bioorgan Phosphorus Chem & Chem Biol, Minist Educ, Beijing 100084, Peoples R China. [Ye, Keqiang] Emory Univ, Sch Med, Dept Pathol & Lab Med, Atlanta, GA 30322 USA. RP Liu, ZJ (reprint author), Chinese Acad Sci, Inst Biophys, Natl Lab Biomacromol, Beijing 100101, Peoples R China. EM ouyangsy@moon.ibp.ac.cn; gcheng@mednet.ucla.edu; zjliu@ibp.ac.cn OI Hung, Li-Wei/0000-0001-6690-8458 FU Ministry of Science and Technology of China [2014CB910400, 2013CB911103, 2011CB911103]; Ministry of Health of China [2013ZX10004-602]; National Natural Science Foundation of China [31330019, 31200559, 91313301, 31300613] FX The authors thank the staff at the synchrotron beamlines (17U of the SSRF, 17A of KEK, and SIBYLS of the ALS) for their assistance with the X-ray diffraction and solution X-ray scattering data collection. This work was supported by the Ministry of Science and Technology of China (2014CB910400, 2013CB911103 and 2011CB911103), the Ministry of Health of China (2013ZX10004-602) and the National Natural Science Foundation of China (31330019, 31200559, 91313301 and 31300613). NR 47 TC 15 Z9 16 U1 2 U2 22 PU INST BIOCHEMISTRY & CELL BIOLOGY PI SHANGHAI PA SIBS, CAS, 319 YUEYANG ROAD, SHANGHAI, 200031, PEOPLES R CHINA SN 1001-0602 EI 1748-7838 J9 CELL RES JI Cell Res. PD MAR PY 2014 VL 24 IS 3 BP 344 EP 358 DI 10.1038/cr.2014.4 PG 15 WC Cell Biology SC Cell Biology GA AC1HV UT WOS:000332246500010 PM 24407422 ER PT J AU Sproul, J Wan, MP Mandel, BH Rosenfeld, AH AF Sproul, Julian Wan, Man Pun Mandel, Benjamin H. Rosenfeld, Arthur H. TI Economic comparison of white, green, and black flat roofs in the United States SO ENERGY AND BUILDINGS LA English DT Article DE White roofs; Green roofs; Life-cycle cost analysis (LCCA); Urban heat island; Energy efficiency; Stormwater management; Building codes AB White and "green" (vegetated) roofs have begun replacing conventional black (dark-colored) roofs to mitigate the adverse effects of dark impervious urban surfaces. This paper presents an economic perspective on roof color choice using a 50-year life-cycle cost analysis (LCCA). We find that relative to black roofs, white roofs provide a 50-year net savings (NS) of $25/m(2) ($2.40/ft(2)) and green roofs have a negative NS of $71/m(2) ($6.60/ft(2)). Despite lasting at least twice as long as white or black roofs, green roofs cannot compensate for their installation cost premium. However, while the 50-year NS of white roofs compared to green roofs is $96/m(2) ($8.90/ft(2)), the annualized cost premium is just $3.20/m(2)-year ($0.30/ft(2)-year). This annual difference is sufficiently small that the choice between a white and green roof should be based on preferences of the building owner. Owners concerned with global warming should choose white roofs, which are three times more effective than green roofs at cooling the globe. Owners concerned with local environmental benefits should choose green roofs, which offer built-in stormwater management and a "natural" urban landscape esthetic. We strongly recommend building code policies that phase out dark-colored roofs in warm climates to protect against their adverse public health externalities. (C) 2013 Elsevier B.V. All rights reserved. C1 [Sproul, Julian; Mandel, Benjamin H.; Rosenfeld, Arthur H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Wan, Man Pun] Nanyang Technol Univ, Sch Mech & Aerosp Engn, Singapore 639798, Singapore. RP Mandel, BH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, One Cyclotron Rd, Berkeley, CA 94720 USA. EM julian.sproul@gmail.com; mpwan@ntu.edu.sg; benjamin.h.mandel@gmail.com; ahrosenfeld@lbl.gov RI Wan, Man Pun/C-3742-2008; OI Mandel, Benjamin/0000-0001-7259-0722 FU Heat Island Group at Lawrence Berkeley National Laboratory; Energy Research Institute at Nanyang Technological University (ERI@N) [SERC 112-176-0021]; U.S. Department of Energy [DE-AC02-05CH11231] FX First we would like to thank the Heat Island Group at Lawrence Berkeley National Laboratory and the Energy Research Institute at Nanyang Technological University (ERI@N) through grant number (SERC 112-176-0021) for their financial support. Second we would like to thank the following individuals for their technical oversight and overall support: Ronnen Levinson, George Ban-Weiss, Kirstin Weeks, Jordan O'Brien, Adam Friedberg, Stuart Gaffin, Andre Desjarlais, Louise Dunlap, Robert Goo, Kent Peterson, Don Moseley, James McClendon, Scott Williams, Kurt Shickman, Chris Mackey, and Amy Nagengast. This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Building Technologies Program of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 41 TC 30 Z9 31 U1 9 U2 74 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0378-7788 EI 1872-6178 J9 ENERG BUILDINGS JI Energy Build. PD MAR PY 2014 VL 71 BP 20 EP 27 DI 10.1016/j.enbuild.2013.11.058 PG 8 WC Construction & Building Technology; Energy & Fuels; Engineering, Civil SC Construction & Building Technology; Energy & Fuels; Engineering GA AD0JS UT WOS:000332920900003 ER PT J AU Roset, R Inagaki, A Hohl, M Brenet, F Lafrance-Vanasse, J Lange, J Scandura, JM Tainer, JA Keeney, S Petrini, JHJ AF Roset, Ramon Inagaki, Akiko Hohl, Marcel Brenet, Fabienne Lafrance-Vanasse, Julien Lange, Julian Scandura, Joseph M. Tainer, John A. Keeney, Scott Petrini, John H. J. TI The Rad50 hook domain regulates DNA damage signaling and tumorigenesis SO GENES & DEVELOPMENT LA English DT Article DE Mre11 complex; double-strand breaks; Rad50; ATM ID STRAND-BREAK REPAIR; HEMATOPOIETIC STEM-CELLS; MRE11 COMPLEX FUNCTIONS; ATM-DEFICIENT MICE; HOMOLOGOUS RECOMBINATION; CELLULAR-RESPONSE; PROTEIN COMPLEX; COILED-COIL; ZINC-HOOK; NBS1 AB The Mre11 complex (Mre11, Rad50, and Nbs1) is a central component of the DNA damage response (DDR), governing both double-strand break repair and DDR signaling. Rad50 contains a highly conserved Zn2+-dependent homodimerization interface, the Rad50 hook domain. Mutations that inactivate the hook domain produce a null phenotype. In this study, we analyzed mutants with reduced hook domain function in an effort to stratify hookdependent Mre11 complex functions. One of these alleles, Rad50(46), conferred reduced Zn2+ affinity and dimerization efficiency. Homozygous Rad50(46/46) mutations were lethal in mice. However, in the presence of wildtype Rad50, Rad50(46) exerted a dominant gain-of-function phenotype associated with chronic DDR signaling. At the organismal level, Rad50(+/46) exhibited hydrocephalus, liver tumorigenesis, and defects in primitive hematopoietic and gametogenic cells. These outcomes were dependent on ATM, as all phenotypes were mitigated in Rad50(+/46) Atm(+/-) mice. These data reveal that the murine Rad50 hook domain strongly influences Mre11 complex-dependent DDR signaling, tissue homeostasis, and tumorigenesis. C1 [Roset, Ramon; Inagaki, Akiko; Hohl, Marcel; Lange, Julian; Keeney, Scott; Petrini, John H. J.] Mem Sloan Kettering Canc Ctr, Program Mol Biol, New York, NY 10021 USA. [Brenet, Fabienne; Scandura, Joseph M.] Weill Cornell Med Coll, Dept Med, Lab Mol Hematopoiesis, New York, NY 10065 USA. [Lafrance-Vanasse, Julien; Tainer, John A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Keeney, Scott] Mem Sloan Kettering Canc Ctr, Howard Hughes Med Inst, New York, NY 10065 USA. [Keeney, Scott; Petrini, John H. J.] Cornell Univ, Weill Grad Sch Med Sci, New York, NY 10021 USA. RP Petrini, JHJ (reprint author), Mem Sloan Kettering Canc Ctr, Program Mol Biol, New York, NY 10021 USA. EM petrinij@mskcc.org OI Scandura, Joseph/0000-0002-9525-143X; Keeney, Scott/0000-0002-1283-6417 FU National Cancer Institute [CA159175]; National Heart, Lung, and Blood Institute (NHLBI) [HL119872, HL055748, P01 CA092584, R01 CA117638, R01 GM105421]; Fundacion Alfonso Martin Escudero; Le Fonds de la Recherche en Sante du Quebec; Leukemia and Lymphoma Society Scholar; American Cancer Society post-doctoral fellowship; [RO1-GM56888] FX We thank Maria Jasin for providing Pim1DR-GFP mice; Fred Alt for the pMX-ISceI plasmid; Linda Johnson and Julie White from the Center for Comparative Medicine and Pathology for assistance with pathological analysis; David Klimstra for help with liver pathology; members of the J.H.J.P. laboratory for critical reading of the manuscript, discussions, and helpful insight; Katelynd Vanness for technical assistance; and Thomas J. Kelly for critical reading of the manuscript. This work was supported by the following grants: RO1-GM56888 (to J.H.J.P.); National Cancer Institute CA159175 (to J.M.S.); National Heart, Lung, and Blood Institute (NHLBI) HL119872 (to J.M.S.); NHLBI HL055748 (to J.M.S.); P01 CA092584 (to J.A.T.); R01 CA117638 (to J.A.T); and R01 GM105421 (to Maria Jasin and S. K.). R.R. was supported in part by Fundacion Alfonso Martin Escudero. J.L.V. is recipient of a fellowship from Le Fonds de la Recherche en Sante du Quebec. J.M.S. is a Leukemia and Lymphoma Society Scholar. J.L. was supported in part by an American Cancer Society post-doctoral fellowship. NR 59 TC 12 Z9 12 U1 0 U2 5 PU COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT PI COLD SPRING HARBOR PA 1 BUNGTOWN RD, COLD SPRING HARBOR, NY 11724 USA SN 0890-9369 EI 1549-5477 J9 GENE DEV JI Genes Dev. PD MAR 1 PY 2014 VL 28 IS 5 BP 451 EP 462 DI 10.1101/gad.236745.113 PG 12 WC Cell Biology; Developmental Biology; Genetics & Heredity SC Cell Biology; Developmental Biology; Genetics & Heredity GA AC4FE UT WOS:000332475600004 PM 24532689 ER PT J AU Pedersen, JS Valen, E Velazquez, AMV Parker, BJ Rasmussen, M Lindgreen, S Lilje, B Tobin, DJ Kelly, TK Vang, S Andersson, R Jones, PA Hoover, CA Tikhonov, A Prokhortchouk, E Rubin, EM Sandelin, A Gilbert, MTP Krogh, A Willerslev, E Orlando, L AF Pedersen, Jakob Skou Valen, Eivind Velazquez, Amhed M. Vargas Parker, Brian J. Rasmussen, Morten Lindgreen, Stinus Lilje, Berit Tobin, Desmond J. Kelly, Theresa K. Vang, Soren Andersson, Robin Jones, Peter A. Hoover, Cindi A. Tikhonov, Alexei Prokhortchouk, Egor Rubin, Edward M. Sandelin, Albin Gilbert, M. Thomas P. Krogh, Anders Willerslev, Eske Orlando, Ludovic TI Genome-wide nucleosome map and cytosine methylation levels of an ancient human genome SO GENOME RESEARCH LA English DT Article ID IN-VIVO METHYLATION; DNA METHYLATION; MITOCHONDRIAL GENOME; GENE-EXPRESSION; HUMAN-CELLS; SEQUENCE; EVOLUTION; REVEALS; AMPLIFICATION; NEANDERTHAL AB Epigenetic information is available from contemporary organisms, but is difficult to track back in evolutionary time. Here, we show that genome-wide epigenetic information can be gathered directly from next-generation sequence reads of DNA isolated from ancient remains. Using the genome sequence data generated from hair shafts of a 4000-yr-old Paleo-Eskimo belonging to the Saqqaq culture, we generate the first ancient nucleosome map coupled with a genome-wide survey of cytosine methylation levels. The validity of both nucleosome map and methylation levels were confirmed by the recovery of the expected signals at promoter regions, exon/intron boundaries, and CTCF sites. The top-scoring nucleosome calls revealed distinct DNA positioning biases, attesting to nucleotide-level accuracy. The ancient methylation levels exhibited high conservation over time, clustering closely with modern hair tissues. Using ancient methylation information, we estimated the age at death of the Saqqaq individual and illustrate how epigenetic information can be used to infer ancient gene expression. Similar epigenetic signatures were found in other fossil material, such as 110,000- to 130,000-yr-old bones, supporting the contention that ancient epigenomic information can be reconstructed from a deep past. Our findings lay the foundation for extracting epigenomic information from ancient samples, allowing shifts in epialleles to be tracked through evolutionary time, as well as providing an original window into modern epigenomics. C1 [Pedersen, Jakob Skou; Vang, Soren] Aarhus Univ Hosp, Dept Mol Med MOMA, DK-8200 Aarhus N, Denmark. [Valen, Eivind] Harvard Univ, Dept Mol & Cellular Biol, Boston, MA 02138 USA. [Valen, Eivind; Parker, Brian J.; Lindgreen, Stinus; Lilje, Berit; Andersson, Robin; Sandelin, Albin; Krogh, Anders] Univ Copenhagen, Dept Biol, Bioinformat Ctr, DK-2200 Copenhagen N, Denmark. [Valen, Eivind; Parker, Brian J.; Lindgreen, Stinus; Lilje, Berit; Andersson, Robin; Sandelin, Albin; Krogh, Anders] Univ Copenhagen, BRIC, DK-2200 Copenhagen N, Denmark. [Velazquez, Amhed M. Vargas; Rasmussen, Morten; Lindgreen, Stinus; Gilbert, M. Thomas P.; Krogh, Anders; Willerslev, Eske; Orlando, Ludovic] Univ Copenhagen, Ctr GeoGenet, DK-1350 Copenhagen K, Denmark. [Rasmussen, Morten] Univ Copenhagen, Danish Natl Sequencing Ctr, DK-1350 Copenhagen K, Denmark. [Lindgreen, Stinus] Univ Canterbury, Sch Biol Sci, Christchurch 1, New Zealand. [Tobin, Desmond J.] Univ Bradford, Sch Life Sci, Ctr Skin Sci, Bradford BD7 1DP, W Yorkshire, England. [Kelly, Theresa K.; Jones, Peter A.] Univ So Calif, Keck Sch Med, USC Norris Comprehens Canc Ctr, Dept Urol Biochem & Mol Biol, Los Angeles, CA 90089 USA. [Hoover, Cindi A.; Rubin, Edward M.] DOE Joint Genome Inst, Walnut Creek, CA 94598 USA. [Tikhonov, Alexei] Russian Acad Sci, Inst Zool, St Petersburg 199034, Russia. [Tikhonov, Alexei] North Eastern Fed Univ, Inst Appl Ecol North, Yakutsk 677980, Russia. [Prokhortchouk, Egor] Russian Acad Sci, Ctr Bioengn, Moscow 117312, Russia. [Prokhortchouk, Egor] Natl Res Ctr Kurchatov Inst, Moscow 123182, Russia. RP Pedersen, JS (reprint author), Aarhus Univ Hosp, Dept Mol Med MOMA, DK-8200 Aarhus N, Denmark. EM jakob.skou@ki.au.dk; Lorlando@snm.ku.dk RI Orlando, Ludovic/A-8932-2013; Andersson, Robin/B-5311-2009; Sandelin, Albin/G-2881-2011; Krogh, Anders/M-1541-2014; Prokhortchouk, Egor/I-9108-2014; Pedersen, Jakob/G-3382-2012; OI Orlando, Ludovic/0000-0003-3936-1850; Andersson, Robin/0000-0003-1516-879X; Sandelin, Albin/0000-0002-7109-7378; Krogh, Anders/0000-0002-5147-6282; Pedersen, Jakob/0000-0002-7236-4001; Valen, Eivind/0000-0003-1840-6108 FU Danish Councils for Independent Research, Natural Sciences (FNU) and Medical Sciences (FSS); Danish National Research Foundation [DNRF94]; Lundbeck Foundation; Marie-Curie Career Integration Grant [CIG-293845]; Novo Nordisk Foundation; Human Frontier Science Program (HFSP) FX We thank laboratory technicians at the Centre for GeoGenetics and staff at the Danish High-throughput DNA Sequencing Centre for technical assistance, members of the paleomix group for discussions, Andrea Pauli for useful comments, and Ole Jacob Kielland for illustrating Figure 1D. This work was supported by the Danish Councils for Independent Research, Natural Sciences (FNU) and Medical Sciences (FSS); the Danish National Research Foundation (DNRF94); the Lundbeck Foundation; a Marie-Curie Career Integration Grant (CIG-293845); the Novo Nordisk Foundation; and the Human Frontier Science Program (HFSP). NR 87 TC 41 Z9 42 U1 5 U2 42 PU COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT PI COLD SPRING HARBOR PA 1 BUNGTOWN RD, COLD SPRING HARBOR, NY 11724 USA SN 1088-9051 EI 1549-5469 J9 GENOME RES JI Genome Res. PD MAR PY 2014 VL 24 IS 3 BP 454 EP 466 DI 10.1101/gr.163592.113 PG 13 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity GA AC1HU UT WOS:000332246100009 PM 24299735 ER PT J AU Pester, NJ Ding, K Seyfried, WE AF Pester, Nicholas J. Ding, Kang Seyfried, William E., Jr. TI Magmatic eruptions and iron volatility in deep-sea hydrothermal fluids SO GEOLOGY LA English DT Article ID EAST PACIFIC RISE; ABSORPTION FINE-STRUCTURE; 9-DEGREES 50' N; PHASE-SEPARATION; SUPERCRITICAL WATER; CHEMISTRY; SYSTEMS; EVOLUTION; FLOOR; EQUILIBRIA AB During periods of volcanic activity, hydrothermal fluid chemistry changes drastically, becoming unusually dilute due to enhanced degrees of phase separation. Despite decreases in nearly all other metals, these dilute fluids maintain surprisingly high dissolved Fe concentrations. This is demonstrated by a 17 yr time series from 9 degrees 50'N on the East Pacific Rise, where two eruption cycles are separated by a decade of steady-state chemical and physical conditions. We report experimental data confirming a sharp increase in Fe solubility in low-salinity and low-density vapors that constitutes a reversal in behavior exhibited in near-critical vapors characteristic of the steady-state condition. In accordance with field observations during the eruptions, a fundamental divergence between the otherwise similar behaviors of Fe and Mn also results. This helps explain how Fe fluxes are maintained during magmatic events, which may have important implications for the succession and temporal evolution of vent-related fauna. Calibrated geochemical proxies for subseafloor reaction conditions (pressure-temperature) now allow us to elucidate hydrothermal processes from steady state through eruptive and recovery stages at the 9 degrees 50'N system. C1 [Pester, Nicholas J.; Ding, Kang; Seyfried, William E., Jr.] Univ Minnesota, Dept Earth Sci, Minneapolis, MN 55455 USA. RP Pester, NJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM NJPester@lbl.gov RI Pester, Nicholas/G-2424-2015 OI Pester, Nicholas/0000-0002-1852-6663 FU National Science Foundation [0927615, 0751771, 0813861] FX We thank the captain and crew of R/V Atlantis, the Alvin Group, and D. Foustoukos for assistance in acquiring the EPR 9-10 degrees N fluid samples, as well as R. Knurr for analyses of both the field and experimental samples. We also thank J. Bryce and F. Prado for making available the unpublished fluid chemical data from EPR 9-10 degrees N acquired between 2002 and 2007 (http://dx.doi.org/10.1594/IEDA/100031). Reviews by David Butterfield and Laurence Coogan improved the clarity and content of the manuscript. Financial support for this research was provided by National Science Foundation grants 0927615, 0751771, 0813861 (WES, KD). NR 31 TC 6 Z9 6 U1 2 U2 32 PU GEOLOGICAL SOC AMER, INC PI BOULDER PA PO BOX 9140, BOULDER, CO 80301-9140 USA SN 0091-7613 EI 1943-2682 J9 GEOLOGY JI Geology PD MAR PY 2014 VL 42 IS 3 BP 255 EP 258 DI 10.1130/G35079.1 PG 4 WC Geology SC Geology GA AD4TQ UT WOS:000333244000030 ER PT J AU Tramontina, D Erhart, P Germann, T Hawreliak, J Higginbotham, A Park, N Ravelo, R Stukowski, A Suggit, M Tang, YZ Wark, J Bringa, E AF Tramontina, Diego Erhart, Paul Germann, Timothy Hawreliak, James Higginbotham, Andrew Park, Nigel Ravelo, Ramon Stukowski, Alexander Suggit, Mathew Tang, Yizhe Wark, Justin Bringa, Eduardo TI Molecular dynamics simulations of shock-induced plasticity in tantalum SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE Tantalum; Molecular dynamics; Shocks ID SINGLE-CRYSTAL COPPER; BCC METALS; VOID GROWTH; STRAIN-RATE; NANOCRYSTALLINE MATERIALS; ATOMISTIC SIMULATION; FCC METALS; DEFORMATION; TA; COMPRESSION AB We present Non-Equilibrium Molecular Dynamics (NEMD) simulations of shock wave compression along the [001] direction in monocrystalline Tantalum, including pre-existing defects which act as dislocation sources. We use a new Embedded Atom Model (EAM) potential and study the nucleation and evolution of dislocations as a function of shock pressure and loading rise time. We find that the flow stress and dislocation density behind the shock front depend on strain rate. We find excellent agreement with recent experimental results on strength and recovered microstructure, which goes from dislocations to a mixture of dislocations and twins, to twinning dominated response, as the shock pressure increases. (C) 2013 Elsevier B.V. All rights reserved. C1 [Tramontina, Diego] Agencia Nacl Promoc Cient & Tecnol, Caba, Argentina. [Tramontina, Diego; Bringa, Eduardo] Univ Nacl Cuyo, Inst Ciencias Basicas, RA-5500 Mendoza, Argentina. [Erhart, Paul; Hawreliak, James] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Germann, Timothy; Ravelo, Ramon] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Higginbotham, Andrew; Suggit, Mathew; Wark, Justin] Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. [Park, Nigel] AWE, Mat Modeling Grp, Reading RG7 4PR, Berks, England. [Ravelo, Ramon] Univ Texas El Paso, Dept Phys, El Paso, TX 79968 USA. [Ravelo, Ramon] Univ Texas El Paso, Mat Res Inst, El Paso, TX 79968 USA. [Stukowski, Alexander] Tech Univ Darmstadt, D-64289 Darmstadt, Germany. [Tang, Yizhe] Johns Hopkins Univ, Baltimore, MD 21218 USA. [Bringa, Eduardo] Consejo Nacl Invest Cient & Tecn, RA-1033 Buenos Aires, DF, Argentina. [Erhart, Paul] Chalmers, Dept Appl Phys, S-41296 Gothenburg, Sweden. RP Bringa, E (reprint author), Univ Nacl Cuyo, Inst Ciencias Basicas, M5502JMA, RA-5500 Mendoza, Argentina. EM ebringa@yahoo.com RI Tang, Yizhe/A-2603-2014; Erhart, Paul/G-6260-2011; Tramontina, Diego/J-4528-2014; Albe, Karsten/F-1139-2011; OI Tang, Yizhe/0000-0002-2744-3819; Erhart, Paul/0000-0002-2516-6061; Tramontina, Diego/0000-0001-5356-6719; Stukowski, Alexander/0000-0001-6750-3401; Germann, Timothy/0000-0002-6813-238X FU ANCyT [PICT2008-1325]; SecTyP-U.N. Cuyo [06/M035]; EPSRC [P/J017256/1]; Air Force Office of Scientific Research [FA9550-12-1-0476]; U.S. Department of Energy (DOE) [DE-AC52-06NA25396]; Swedish Research Council (VR); Area of Advanced Materials at Chalmers FX D. Tramontina and E.M. Bringa were funded by projects PICT2008-1325 from the ANCyT and 06/M035 from SecTyP-U.N. Cuyo. We thank R. Rudd, B. Remington, M.A. Meyers, B.L. Holian and C.J. Ruestes for useful and stimulating discussions. A. Higginbotham acknowledges support from AWE. M. Suggit and J.S. Wark acknowledge support from EPSRC under grant P/J017256/1. R. Ravelo acknowledges support from the Air Force Office of Scientific Research under Award FA9550-12-1-0476. Work at Los Alamos was performed under the auspices of the U.S. Department of Energy (DOE) under Contract No. DE-AC52-06NA25396. P. Erhart acknowledges support from the Swedish Research Council (VR) and the Area of Advanced Materials at Chalmers. NR 80 TC 19 Z9 19 U1 2 U2 46 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 EI 1878-0563 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD MAR PY 2014 VL 10 BP 9 EP 15 DI 10.1016/j.hedp.2013.10.007 PG 7 WC Physics, Fluids & Plasmas SC Physics GA AD0DO UT WOS:000332904900002 ER PT J AU Kritcher, AL Doppner, T Swift, D Hawreliak, J Collins, G Nilsen, J Bachmann, B Dewald, E Strozzi, D Felker, S Landen, OL Jones, O Thomas, C Hammer, J Keane, C Lee, HJ Glenzer, SH Rothman, S Chapman, D Kraus, D Neumayer, P Falcone, RW AF Kritcher, A. L. Doeppner, T. Swift, D. Hawreliak, J. Collins, G. Nilsen, J. Bachmann, B. Dewald, E. Strozzi, D. Felker, S. Landen, O. L. Jones, O. Thomas, C. Hammer, J. Keane, C. Lee, H. J. Glenzer, S. H. Rothman, S. Chapman, D. Kraus, D. Neumayer, P. Falcone, R. W. TI Probing matter at Gbar pressures at the NIF SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE X-ray scattering; X-ray radiography; Gbar; Thomson scattering; Compton scattering; Shock compression ID NATIONAL-IGNITION-FACILITY; RAY THOMSON SCATTERING; SIMULATIONS; TARGETS; PLASMAS AB We describe a platform to measure the material properties, specifically the equation of state and electron temperature, at pressures of 100 Mbar to a Gbar at the National Ignition Facility (NIF). In these experiments we launch spherically convergent shock waves into solid CH, CD, or diamond samples using a hohlraum radiation drive, in an indirect drive laser geometry. X-ray radiography is applied to measure the shock speed and infer the mass density profile, enabling determination of the material pressure and Hugoniot equation of state. X-ray scattering is applied to measure the electron temperature through probing of the electron velocity distribution via Doppler broadening. Published by Elsevier B.V. C1 [Kritcher, A. L.; Doeppner, T.; Swift, D.; Hawreliak, J.; Collins, G.; Nilsen, J.; Bachmann, B.; Dewald, E.; Strozzi, D.; Felker, S.; Landen, O. L.; Jones, O.; Thomas, C.; Hammer, J.; Keane, C.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Lee, H. J.; Glenzer, S. H.] SLAC Accelerator Natl Lab, Menlo Pk, CA USA. [Rothman, S.; Chapman, D.] Atom Weap Estab, Reading, Berks, England. [Kraus, D.; Falcone, R. W.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Neumayer, P.] GSI Darmstadt, EMMI, Darmstadt, Germany. RP Kritcher, AL (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM kritcher2@llnl.gov OI Strozzi, David/0000-0001-8814-3791 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Laboratory Directed Research and Development [13-ERD-073]; SSAA program [DE-FG52-06NA26212] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344 and supported by Laboratory Directed Research and Development Grant No. 13-ERD-073. RWF acknowledges support from SSAA program Contract No.DE-FG52-06NA26212. NR 43 TC 20 Z9 20 U1 3 U2 31 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 EI 1878-0563 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD MAR PY 2014 VL 10 BP 27 EP 34 DI 10.1016/j.hedp.2013.11.002 PG 8 WC Physics, Fluids & Plasmas SC Physics GA AD0DO UT WOS:000332904900004 ER PT J AU Starrett, CE Saumon, D AF Starrett, C. E. Saumon, D. TI A simple method for determining the ionic structure of warm dense matter SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE Average atom; Pair distribution function; Warm dense matter; Dense plasmas ID RAY THOMSON SCATTERING; PRESSURE IONIZATION; FUNCTIONAL THEORY; ATOM MODEL; CELL MODEL; PLASMAS; HYDROGEN; METALS; APPROXIMATION; TEMPERATURE AB A model for dense homo-nuclear plasmas that couples an average atom model for the calculation of the electronic structure to the quantum Ornstein-Zernike equations describing the ionic structure is summarized and described pedagogically. The model is applied to the calculation of ion-ion pair distribution functions g(II)(r) for tungsten in the warm and hot dense matter regimes. These results are compared to orbital-free molecular dynamics simulations and excellent agreement is found. Calculations of g(II)(r) with a simple version of the model (which we call the ion-sphere model) are in remarkable agreement with those of the full model. This ion-sphere model provides a simple and efficient method of calculating accurate g(II)(r) for warm and hot dense matter for many applications involving low- to high-Z elements with a modest investment of effort. (C) 2013 Elsevier B.V. All rights reserved. C1 [Starrett, C. E.; Saumon, D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Starrett, CE (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM starrett@lanl.gov FU United States Department of Energy [DE-AC52-06NA25396] FX We thank J. Clerouin for providing the OFMD data. This work was performed under the auspices of the United States Department of Energy under contract DE-AC52-06NA25396. NR 63 TC 15 Z9 15 U1 3 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 EI 1878-0563 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD MAR PY 2014 VL 10 BP 35 EP 42 DI 10.1016/j.hedp.2013.12.001 PG 8 WC Physics, Fluids & Plasmas SC Physics GA AD0DO UT WOS:000332904900005 ER PT J AU Fontes, CJ Eriksen, KA Colgan, J Zhang, HL Hughes, JP AF Fontes, C. J. Eriksen, K. A. Colgan, J. Zhang, H. L. Hughes, J. P. TI Spectral modeling of supernova remnants SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE Atomic data; Collisional-radiative modeling; X-ray spectra; Supernova remnant ID FINITE-DENSITY PLASMAS; ELECTRON-IMPACT EXCITATION; ATOMIC DATA; RECOMBINATION DATA; IONS; ELEMENTS; XXIII AB We report on recent efforts to generate high quality, self-consistent atomic physics models for L-shell ion stages for iron and the use of these data in collisional-radiative modeling of X-ray spectra of supernova remnants. As a specific example, we present comparisons between observed and theoretical X-ray spectra produced by Tycho's supernova remnant. (C) 2013 Elsevier B.V. All rights reserved. C1 [Fontes, C. J.; Zhang, H. L.] Los Alamos Natl Lab, Computat Phys Div, Los Alamos, NM 87545 USA. [Eriksen, K. A.] Los Alamos Natl Lab, Theoret Design Div, Los Alamos, NM 87545 USA. [Colgan, J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Hughes, J. P.] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. RP Fontes, CJ (reprint author), Los Alamos Natl Lab, Computat Phys Div, POB 1663, Los Alamos, NM 87545 USA. EM cjf@lanl.gov OI Colgan, James/0000-0003-1045-3858 FU U.S. Department of Energy by Los Alamos National Laboratory [DE-AC52-06NA25396] FX This work was performed under the auspices of the U.S. Department of Energy by Los Alamos National Laboratory under contract no. DE-AC52-06NA25396. NR 20 TC 0 Z9 0 U1 1 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 EI 1878-0563 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD MAR PY 2014 VL 10 BP 43 EP 46 DI 10.1016/j.hedp.2013.10.001 PG 4 WC Physics, Fluids & Plasmas SC Physics GA AD0DO UT WOS:000332904900006 ER PT J AU Armstrong, GSJ Colgan, J Kilcrease, DP Magee, NH AF Armstrong, G. S. J. Colgan, J. Kilcrease, D. P. Magee, N. H., Jr. TI Ab initio calculation of the non-relativistic free-free Gaunt factor incorporating plasma screening SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE Gaunt factor; Inverse-bremsstrahlung; Opacities ID TEMPERATURE STELLAR PLASMA; OPACITIES AB We present calculations of Gaunt factors for free free absorption over a wide range of temperatures and densities. The calculations employ a partial wave expansion approach, which is able to account for plasma screening within the calculation of the free free Gaunt factor. Much of the existing Gaunt factor data pertains to hydrogenic systems, and plasma screening is often incorporated in opacity calculations using approximate methods. The use of a more accurate method allows us to determine the accuracy of such approximations in calculations of the free free monochromatic and mean opacities. (C) 2013 Elsevier B.V. All rights reserved. C1 [Armstrong, G. S. J.; Colgan, J.; Kilcrease, D. P.; Magee, N. H., Jr.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Armstrong, GSJ (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM gregorya@lanl.gov OI Colgan, James/0000-0003-1045-3858; Kilcrease, David/0000-0002-2319-5934 FU National Nuclear Security Administration of the US Department of Energy [DE-AC5206NA25396] FX We would like to thank Brian Wilson of Lawrence Livermore National Laboratory for providing us with a copy of Joe Green's BREM IV code. The Los Alamos National Laboratory is operated by Los Alamos National Security, LLC for the National Nuclear Security Administration of the US Department of Energy under Contract No. DE-AC5206NA25396. NR 13 TC 3 Z9 3 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 EI 1878-0563 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD MAR PY 2014 VL 10 BP 61 EP 69 DI 10.1016/j.hedp.2013.10.005 PG 9 WC Physics, Fluids & Plasmas SC Physics GA AD0DO UT WOS:000332904900009 ER PT J AU Zatz, IJ Youchison, DL Bosch, HS Cary, WP AF Zatz, Irving J. Youchison, Dennis L. Bosch, Hans-Stephan Cary, William P. TI Foreword to the Special Issue on the 25th Symposium on Fusion Engineering (SOFE 2013) SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Editorial Material C1 [Zatz, Irving J.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. [Youchison, Dennis L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Bosch, Hans-Stephan] Max Planck Inst Plasma Phys, Greifswald, Germany. [Cary, William P.] Gen Atom Co, San Diego, CA USA. RP Zatz, IJ (reprint author), Princeton Univ, Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM zatz@pppl.gov; dlyouch@sandia.gov; bosch@ipp.mpg.de; cary@fusion.gat.com RI Bosch, Hans-Stephan/F-9527-2015; OI Youchison, Dennis/0000-0002-7366-1710 NR 0 TC 0 Z9 0 U1 0 U2 6 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD MAR PY 2014 VL 42 IS 3 SI SI BP 399 EP 401 DI 10.1109/TPS.2014.2305476 PN 1 PG 3 WC Physics, Fluids & Plasmas SC Physics GA AD0ZM UT WOS:000332963400001 ER PT J AU Hyatt, A Humphreys, DA Welander, A Eidietis, N Ferron, JR Johnson, R Kolemen, E Lanctot, M Penaflor, B Turco, F Walker, ML Coon, R Qian, JP AF Hyatt, Alan Humphreys, Dave A. Welander, Anders Eidietis, Nicholas Ferron, John R. Johnson, Robert Kolemen, Egemen Lanctot, Matthew Penaflor, Benjamin Turco, Francesca Walker, Mike L. Coon, Robert Qian, Jinping TI Designing, Constructing, and Using Plasma Control System Algorithms on DIII-D SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article; Proceedings Paper CT 25th Symposium on Fusion Engineering (SOFE) CY JUN 10-14, 2013 CL San Francisco, CA DE Algorithm; conditional; control; digital; model; plasma; simulation; tokamak ID RECONSTRUCTION; TOKAMAK AB The DIII-D plasma control system (PCS), initially deployed in the early 1990s, now controls nearly all aspects of the tokamak and plasma environment. Versions of this PCS, supported by General Atomics, are presently used to control several tokamaks around the world, including the superconducting tokamaks Experimental Advanced Superconducting Tokamak and Korean Superconducting Tokamak Advanced Research. The experimental challenges posed by the advanced tokamak mission of DIII-D and the variety of devices supported by the PCS have driven the development of a rich array of control algorithms, along with a powerful set of tools for algorithm design and testing. Broadly speaking, the PCS mission is to utilize all available sensors, measurements, and actuators to safely produce a plasma state trajectory leading to and then maintaining the desired experimental conditions. Often new physics understanding leads to new or modified control requirements that use existing actuators in new ways. We describe several important DIII-D PCS design and test tools that support implementation and optimization of algorithms. We describe selected algorithms and the ways they fit within the PCS architecture, which in turn allows great flexibility in designing, constructing, and using the algorithms to reliably produce a desired complex experimental environment. Control algorithms, PCS interfaces, and design and testing tools are described from the perspective of the physics operator (PO), who must operate the PCS to achieve experimental goals and maximize physics productivity of the tokamak. For example, from a POs (and experimental team leader's) standpoint, a PCS algorithm interface that offers maximum actuator, algorithmic, and measurement configuration flexibility is most likely to produce a successful experimental outcome. However, proper constraints that limit flexibility in use of the PCS can also help to maximize effectiveness. For example, device limits and safety must be built into the PCS, sometimes at the algorithm level. We show how the DIII-D PCS toolset enables rapid offline testing of a new or modified algorithm in a simulated tokamak environment. Finally, we illustrate usage of PCS-based checklists and procedures that enhance experimental productivity, and we describe an asynchronous condition detector system within the PCS that enhances device safety and enables complex experiment design. C1 [Hyatt, Alan; Humphreys, Dave A.; Welander, Anders; Eidietis, Nicholas; Ferron, John R.; Johnson, Robert; Lanctot, Matthew; Penaflor, Benjamin; Walker, Mike L.; Coon, Robert] Gen Atom Co, San Diego, CA 92186 USA. [Kolemen, Egemen] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Turco, Francesca] Columbia Univ, New York, NY 10027 USA. [Qian, Jinping] ASIPP, Hefei 230031, Peoples R China. RP Hyatt, A (reprint author), Gen Atom Co, San Diego, CA 92186 USA. EM hyatt@fusion.gat.com; humphreys@fusion.gat.com; welander@fusion.gat.com; eidietis@fusion.gat.com; ferron@fusion.gat.com; johnsonb@fusion.gat.com; ekolemen@pppl.gov; lanctot@fusion.gat.com; penaflor@fusion.gat.com; turco@fusion.gat.com; walker@fusion.gat.com; coon@fusion.gat.com; jpqian@ipp.ac.cn RI Lanctot, Matthew J/O-4979-2016 OI Lanctot, Matthew J/0000-0002-7396-3372 FU U.S. Department of Energy [DE-FC-02-04ER54698, DE-AC02-09CH11466, DE-FG0204ER54761] FX This work was supported by the U.S. Department of Energy under Contract DE-FC-02-04ER54698, Contract DE-AC02-09CH11466, and Contract DE-FG0204ER54761. NR 9 TC 2 Z9 2 U1 1 U2 8 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD MAR PY 2014 VL 42 IS 3 SI SI BP 421 EP 426 DI 10.1109/TPS.2014.2303896 PN 1 PG 6 WC Physics, Fluids & Plasmas SC Physics GA AD0ZM UT WOS:000332963400004 ER PT J AU Risse, K Fullenbach, F Rummel, T Mardenfeld, M Zhao, X AF Risse, Konrad Fuellenbach, Frank Rummel, Thomas Mardenfeld, Michael Zhao, Xin TI Wendelstein 7-X Trim Coils-Component Safety Aspects and Commissioning Strategy SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article; Proceedings Paper CT 25th Symposium on Fusion Engineering (SOFE) CY JUN 10-14, 2013 CL San Francisco, CA DE Coils; field correction; magnetic field; stellarator AB The stellarator fusion experiment Wendelstein 7-X (W7-X) is currently under construction at the Max-Planck-Institut fur Plasmaphysik in Greifswald, Germany. Five normal conducting trim coils have been designed to allow for fine tuning of the main magnetic field during plasma operation. To limit the mechanical stresses in the coil, the proper functioning of the coil cooling system must be carefully monitored. Two independent systems will monitor the coil temperature. In addition, flow monitors in the outlet hydraulic line of each coil will determine if the required cooling water flow is present. The trim coil system will be provided as a part of a collaboration program between the Princeton Plasma Physics Laboratory, Oak Ridge National Laboratory, and the Wendelstein 7-X project, and is funded by the U.S. Department of Energy. C1 [Risse, Konrad; Fuellenbach, Frank; Rummel, Thomas] Max Planck Inst Plasma Phys, D-17491 Greifswald, Germany. [Mardenfeld, Michael; Zhao, Xin] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Risse, K (reprint author), Max Planck Inst Plasma Phys, D-17491 Greifswald, Germany. EM konrad.risse@ipp.mpg.de; frank.fuellenbach@ipp.mpg.de; thomas.rummel@ipp.mpg.de; mmarden@pppl.gov FU Princeton Plasma Physics Laboratory; Oak Ridge National Laboratory; U.S. Department of Energy FX This work was supported in part by the Princeton Plasma Physics Laboratory, in part by the Oak Ridge National Laboratory, and in part by the U.S. Department of Energy. NR 4 TC 1 Z9 1 U1 0 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD MAR PY 2014 VL 42 IS 3 SI SI BP 449 EP 452 DI 10.1109/TPS.2013.2294341 PN 1 PG 4 WC Physics, Fluids & Plasmas SC Physics GA AD0ZM UT WOS:000332963400009 ER PT J AU Neilson, GH Gates, DA Heitzenroeder, PJ Breslau, J Prager, SC Stevenson, T Titus, P Williams, MD Zarnstorff, MC AF Neilson, George H. Gates, David A. Heitzenroeder, Philip J. Breslau, Joshua Prager, Stewart C. Stevenson, Timothy Titus, Peter Williams, Michael D. Zarnstorff, Michael C. TI Next Steps in Quasi-Axisymmetric Stellarator Research SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article; Proceedings Paper CT 25th Symposium on Fusion Engineering (SOFE) CY JUN 10-14, 2013 CL San Francisco, CA DE Stellarators; strategic planning ID NCSX; TRANSPORT; DESIGN AB The quasi-axisymmetric (QA) stellarator, a 3-D magnetic configuration with close connections to tokamaks, offers solutions for a steady state, disruption-free fusion system. A new experimental facility, QUASAR, provides a rapid approach to the next step in QA development, an integrated experimental test of its physics properties, taking advantage of the designs, fabricated components, and detailed assembly plans developed for the NCSX project. A scenario is presented for constructing the QUASAR facility for physics research operations starting in 2019. Operating in deuterium, such a facility would investigate the scale-up in size and pulse length from QUASAR, while a suitably equipped version operating in deuterium-tritium (DT) could address fusion nuclear missions. New QA optimization strategies, aimed at improved engineering attractiveness, would also be tested. C1 [Neilson, George H.; Gates, David A.; Heitzenroeder, Philip J.; Breslau, Joshua; Prager, Stewart C.; Stevenson, Timothy; Titus, Peter; Williams, Michael D.; Zarnstorff, Michael C.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Neilson, GH (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM hneilson@pppl.gov; dgates@pppl.gov; pheitzen@pppl.gov; jbreslau@pppl.gov; sprager@pppl.gov; tstevenson@pppl.gov; ptitus@pppl.gov; mwilliams@pppl.gov; mzarnstorff@pppl.gov FU U.S. Department of Energy, Princeton University [DE-AC02 09CH11466] FX This work was supported by the U.S. Department of Energy, Princeton University, under Contract DE-AC02 09CH11466. NR 19 TC 2 Z9 2 U1 1 U2 10 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD MAR PY 2014 VL 42 IS 3 SI SI BP 489 EP 494 DI 10.1109/TPS.2014.2298870 PN 1 PG 6 WC Physics, Fluids & Plasmas SC Physics GA AD0ZM UT WOS:000332963400015 ER PT J AU Lore, JD Andreeva, T Boscary, J Bozhenkov, S Geiger, J Harris, JH Hoelbe, H Lumsdaine, A McGinnis, D Peacock, A Tipton, J AF Lore, Jeremy D. Andreeva, Tamara Boscary, Jean Bozhenkov, Sergey Geiger, Joachim Harris, Jeffrey H. Hoelbe, Hauke Lumsdaine, Arnold McGinnis, Dean Peacock, Alan Tipton, Joseph TI Design and Analysis of Divertor Scraper Elements for the W7-X Stellarator SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article; Proceedings Paper CT 25th Symposium on Fusion Engineering (SOFE) CY JUN 10-14, 2013 CL San Francisco, CA DE Divertor; heat flux; island divertor (ID); stellarator; Wendelstein 7-X (W7-X) ID ISLAND DIVERTORS; PLASMA; EQUILIBRIA AB A set of new water-cooled divertor components is being designed for the Wendelstein 7-X stellarator to protect the edges of the primary plasma facing components during the bootstrap current evolution (similar to 40 s). These new components, referred to as scraper elements (SEs), will intercept field lines and associated heat flux that would otherwise overload the main target edges in certain operational scenarios. The SEs are calculated to experience peak heat fluxes similar to 15-16 MW/m(2) and will be constructed from carbon fiber reinforced composite monoblocks of a type that has been qualified for ITER. The heat flux distribution and magnitude is calculated from field line following in a 3-D magnetic field that includes the contribution from plasma currents. The heat flux calculations are coupled with an engineering design in an iterative process to generate SEs that meet the design criteria while reducing the geometric complexity of the elements. C1 [Lore, Jeremy D.; Harris, Jeffrey H.; Lumsdaine, Arnold; McGinnis, Dean] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Andreeva, Tamara; Boscary, Jean; Geiger, Joachim; Hoelbe, Hauke] EURATOM, Max Planck Inst Plasma Phys, D-17491 Greifswald, Germany. [Boscary, Jean; Peacock, Alan] EURATOM, Max Planck Inst Plasma Phys, D-85748 Garching, Germany. [Tipton, Joseph] Univ Evansville, Evansville, IN 47714 USA. RP Lore, JD (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM lorejd@ornl.gov; tamara.andreeva@ipp.mpg.de; jean.boscary@ipp.mpg.de; Sergey.Bozhenkov@ipp.mpg.de; joachim.geiger@ipp.mpg.de; harrisjh@ornl.gov; hauke.hoelbe@ipp.mpg.de; lumsdainea@ornl.gov; mcgin-niswd@ornl.gov; alan.peacock@ipp.mpg.de; tiptonjb@ornl.gov OI Tipton, Joseph/0000-0002-1978-1076; Lore, Jeremy/0000-0002-9192-465X FU UT-Battelle, LLC through the U.S. Department of Energy [DE-AC05-00OR22725] FX This work was supported by UT-Battelle, LLC, through the U.S. Department of Energy under Contract DE-AC05-00OR22725. NR 16 TC 8 Z9 8 U1 0 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD MAR PY 2014 VL 42 IS 3 SI SI BP 539 EP 544 DI 10.1109/TPS.2014.2303649 PN 1 PG 6 WC Physics, Fluids & Plasmas SC Physics GA AD0ZM UT WOS:000332963400022 ER PT J AU Lumsdaine, A Boscary, J Clark, E Ekici, K Harris, J McGinnis, D Lore, JD Peacock, A Tipton, J Tretter, J AF Lumsdaine, Arnold Boscary, Jean Clark, Emily Ekici, Kivanc Harris, Jeffrey McGinnis, Dean Lore, Jeremy D. Peacock, Alan Tipton, Joseph Tretter, Joerg TI Modeling and Analysis of the W7-X High Heat-Flux Divertor Scraper Element SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article; Proceedings Paper CT 25th Symposium on Fusion Engineering (SOFE) CY JUN 10-14, 2013 CL San Francisco, CA DE Divertor; heat flux; stellarator; Wendelstein 7-X (W7-X) ID TWISTED-TAPE INSERTS AB The Wendelstein 7-X stellarator experiment is scheduled for the completion of device commissioning and the start of first plasma in 2015. At the completion of the first two operational phases, the inertially cooled test divertor unit will be replaced with an actively cooled high heat-flux divertor, which will enable the device to increase its pulse length to steady-state plasma performance. Plasma simulations show that the evolution of bootstrap current in certain plasma scenarios produce excessive heat fluxes on the edge of the divertor targets. It is proposed to place an additional scraper element in the 10 divertor locations to intercept some of the plasma flux and reduce the heat load on these divertor edge elements. Each scraper element may experience a 500-kW steady-state power load, with localized heat fluxes as high as 20 MW/m(2). Computational analysis has been performed to examine the thermal integrity of the scraper element. The peak temperature in the carbon-carbon fiber composite, the total pressure drop in the cooling water, and the increase in water temperature must all be examined to stay within specific design limits. Computational fluid dynamics modeling is performed to examine the flow paths through the multiple monoblock fingers as well as the thermal transfer through the monoblock swirl tube channels. C1 [Lumsdaine, Arnold; Harris, Jeffrey; McGinnis, Dean; Lore, Jeremy D.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Boscary, Jean; Peacock, Alan; Tretter, Joerg] EURATOM, Max Planck Inst Plasma Phys, D-85748 Garching, Germany. [Clark, Emily; Ekici, Kivanc] Univ Tennessee, Knoxville, TN 37996 USA. [Tipton, Joseph] Univ Evansville, Evansville, IN 47714 USA. RP Lumsdaine, A (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM lumsdainea@ornl.gov; jean.boscary@ipp.mpg.de; ebuckman@utk.edu; ekici@utk.edu; harrisjh@ornl.gov; mcginniswd@ornl.gov; lorejd@ornl.gov; alan.peacock@ipp.mpg.de; tiptonjb@ornl.gov; joerg.tretter@ipp.mpg.de OI Tipton, Joseph/0000-0002-1978-1076; Lore, Jeremy/0000-0002-9192-465X FU UT-Battelle, LLC through the U.S. Department of Energy [DE-AC05-00OR22725] FX This work was supported by UT-Battelle, LLC, under Contract DE-AC05-00OR22725 through the U.S. Department of Energy. NR 12 TC 5 Z9 5 U1 2 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD MAR PY 2014 VL 42 IS 3 SI SI BP 545 EP 551 DI 10.1109/TPS.2014.2304695 PN 1 PG 7 WC Physics, Fluids & Plasmas SC Physics GA AD0ZM UT WOS:000332963400023 ER PT J AU Zhou, LH Vieira, R Harrison, S Karnes, D Lipschultz, B AF Zhou, Lihua Vieira, Rui Harrison, Soren Karnes, Dan Lipschultz, Bruce TI Thermal FEA for Alcator C-Mod Advanced Outer Divertor SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article; Proceedings Paper CT 25th Symposium on Fusion Engineering (SOFE) CY JUN 10-14, 2013 CL San Francisco, CA DE Alcator C-Mod; heat transfer; outer divertor; plasma; thermal; tokamak ID UPGRADE AB An advanced outer divertor is being developed for Alcator C-Mod to study reactor fuel (tritium) retention and plasma wall material interaction physics at reactor temperatures with high power long-pulse discharges. The divertor will be operated at controlled temperature of 600 degrees C. To achieve this goal, the divertor will be structurally and electrically continuous along the toroidal direction, requiring it to expand radially as temperature increases. This paper describes the thermal finite element analysis (FEA) and results of the outer divertor. There are four aspects, with focus on the A-Frame assembly. First of all, a one twentieth module of the full divertor is composed of divertor tiles, tile mounting plate, heaters, divertor gusset, A-Frame support, spherical bearings, bracket, halo current shunt, vessel gusset, and so on. By adjusting the power of each of the seven toroidal divertor heaters, the tiles achieve a uniform temperature poloidally with toroidal temperature variation within allowables. The temperature of each component is evaluated, and results are used to support the design changes. Second, radiation simulation on multilayer radiation shields behind divertor plate is presented. Third, radiation simulation of the diverter heater itself is done to understand more details of heat transfer from the heater to the surrounding tiles and support plates. Finally, thermal analysis is completed with a model including a tile and its mounting plate, to predict the effect of plasma heat load on divertor tiles. All the thermal FEA was performed with COMSOL, a commercial FEA software. C1 [Zhou, Lihua; Vieira, Rui; Lipschultz, Bruce] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Harrison, Soren; Karnes, Dan] Princeton Plasma Phys Lab, Princeton, NJ 08536 USA. RP Zhou, LH (reprint author), MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM lihua@psfc.mit.edu; vieira@psfc.mit.edu; harrison1@psfc.mit.edu; karnes@psfc.mit.edu; blip@psfc.mit.edu RI Lipschultz, Bruce/J-7726-2012 OI Lipschultz, Bruce/0000-0001-5968-3684 FU U.S. DoE [DE-FC02-99ER54512] FX This work was supported by the U.S. DoE under Award DE-FC02-99ER54512. NR 17 TC 0 Z9 0 U1 0 U2 10 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD MAR PY 2014 VL 42 IS 3 SI SI BP 563 EP 567 DI 10.1109/TPS.2013.2295533 PN 1 PG 5 WC Physics, Fluids & Plasmas SC Physics GA AD0ZM UT WOS:000332963400025 ER PT J AU Canik, JM Gray, TK Maingi, R Menard, JE AF Canik, John M. Gray, Travis K. Maingi, Rajesh Menard, Jon E. TI Feasibility of Power and Particle Handling in an ST-FNSF and the Effects of Divertor Geometry SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article; Proceedings Paper CT 25th Symposium on Fusion Engineering (SOFE) CY JUN 10-14, 2013 CL San Francisco, CA DE Divertor; fusion nuclear science facility (FNSF) ID DIII-D TOKAMAK; PLASMA PARAMETERS; B2-EIRENE; ITER AB A spherical tokamak (ST) configuration is attractive as the basis for a fusion nuclear science facility (FNSF), due to its small size and relatively low cost. However, the compactness of the ST also exacerbates the power and particle handling problems anticipated in next-step devices, since local fluxes are higher and less space is available for optimizing plasma-facing components. On the other hand, novel divertor geometries that have recently been developed such as the snowflake and super-X divertors can be especially effective at reducing heat fluxes in an ST, helping to meet the exhaust challenge. Here, we present an analysis of the power and particle handling requirements of a candidate ST-FNSF, based on 0-D exhaust projections as well as 2-D edge plasma modeling using the SOLPS code. Both conventional and novel divertor geometries are considered. These show that, for reasonable assumptions on cross-field transport, operating points can be identified that are consistent with both core plasma operation and power and particle exhaust requirements, and these operating points are more easily accessible with novel divertors. C1 [Canik, John M.; Gray, Travis K.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Maingi, Rajesh; Menard, Jon E.] Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. RP Canik, JM (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM canikjm@ornl.gov; tkgray@pppl.gov; rmaingi@pppl.gov; jmenard@pppl.gov OI Gray, Travis/0000-0001-8220-8195; Canik, John/0000-0001-6934-6681; Menard, Jonathan/0000-0003-1292-3286 FU U.S. DOE [DE-AC05-00OR22725, DE-AC02-09CH11466] FX This work supported by the U.S. DOE under Contract DE-AC05-00OR22725 and Contract DE-AC02-09CH11466. NR 27 TC 2 Z9 2 U1 1 U2 10 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD MAR PY 2014 VL 42 IS 3 SI SI BP 573 EP 579 DI 10.1109/TPS.2014.2304679 PN 1 PG 7 WC Physics, Fluids & Plasmas SC Physics GA AD0ZM UT WOS:000332963400027 ER PT J AU Statom, TK AF Statom, T. K. TI Pulsed Discharge Irradiance Reaction Identification SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Atmospheric-pressure plasmas; electric breakdown; plasma chemistry; radiometry ID RADIOMETRY; SATELLITE; PRESSURE; HELIUM; PLASMA AB This paper presents the application of a theoretically developed method, which when applied to a pulsed irradiance signal can provide information about the underlying chemical kinetics and reaction dynamics. The theoretical development uses a combination of state-space, Laplace transform, least-square, and correlation techniques to determine chemical kinetic and reaction dynamic terms from a pulsed discharge. The waveform irradiance signals come from a space-based optical radiometer. Four pulsed radiometry irradiance waveforms are examined where the reaction order, rate constant, and reaction rates are investigated. The application of the theory and the commensurate results demonstrate that irradiance signals obtained under similar circumstances come from distinct pulsed discharge conditions. C1 Sandia Natl Labs, Kirtland AFB, NM 87117 USA. RP Statom, TK (reprint author), Sandia Natl Labs, Kirtland AFB, NM 87117 USA. EM tstatom@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 19 TC 0 Z9 0 U1 1 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD MAR PY 2014 VL 42 IS 3 BP 833 EP 838 DI 10.1109/TPS.2014.2301275 PN 2 PG 6 WC Physics, Fluids & Plasmas SC Physics GA AD0ZV UT WOS:000332964400020 ER PT J AU Hanna, E Fettweis, X Mernild, SH Cappelen, J Ribergaard, MH Shuman, CA Steffen, K Wood, L Mote, TL AF Hanna, Edward Fettweis, Xavier Mernild, Sebastian H. Cappelen, John Ribergaard, Mads H. Shuman, Christopher A. Steffen, Konrad Wood, Len Mote, Thomas L. TI Atmospheric and oceanic climate forcing of the exceptional Greenland ice sheet surface melt in summer 2012 SO INTERNATIONAL JOURNAL OF CLIMATOLOGY LA English DT Article DE climate change; global warming; Greenland; surface melt extent; temperature ID MODEL MAR; RUNOFF; SYSTEM; EXTENT AB The NASA announcement of record surface melting of the Greenland ice sheet in July 2012 led us to examine the atmospheric and oceanic climatic anomalies that are likely to have contributed to these exceptional conditions and also to ask the question of how unusual these anomalies were compared to available records. Our analysis allows us to assess the relative contributions of these two key influences to both the extreme melt event and ongoing climate change. In 2012, as in recent warm summers since 2007, a blocking high pressure feature, associated with negative NAO conditions, was present in the mid-troposphere over Greenland for much of the summer. This circulation pattern advected relatively warm southerly winds over the western flank of the ice sheet, forming a heat dome' over Greenland that led to the widespread surface melting. Both sea-surface temperature and sea-ice cover anomalies seem to have played a minimal role in this record melt, relative to atmospheric circulation. Two representative coastal climatological station averages and several individual stations in south, west and north-west Greenland set new surface air temperature records for May, June, July and the whole (JJA) summer. The unusually warm summer 2012 conditions extended to the top of the ice sheet at Summit, where our reanalysed (1994-2012) DMI Summit weather station summer (JJA) temperature series set new record high mean and extreme temperatures in 2012; 3-hourly instantaneous 2-m temperatures reached an exceptional value of 2.2 degrees C at Summit on 11 July 2012. These conditions translated into the record observed ice-sheet wide melt during summer 2012. However, 2012 seems not to be climatically representative of future average' summers projected this century. C1 [Hanna, Edward] Univ Sheffield, Dept Geog, Sheffield S10 2TN, S Yorkshire, England. [Fettweis, Xavier] Univ Liege, Dept Geog, Climatol Lab, Liege, Belgium. [Mernild, Sebastian H.] Los Alamos Natl Lab, Climate Ocean & Sea Ice Modelling Grp, Los Alamos, NM USA. [Mernild, Sebastian H.] Ctr Estudios Cient, Ctr Sci Studies, Glaciol & Climate Change Lab, Valdivia, Chile. [Cappelen, John] Danish Meteorol Inst, Copenhagen, Denmark. [Ribergaard, Mads H.] Danish Meteorol Inst, Ctr Ocean & Ice, Copenhagen, Denmark. [Shuman, Christopher A.] Univ Maryland, Joint Ctr Earth Syst Technol, Baltimore, MD 21201 USA. [Shuman, Christopher A.] NASA, Goddard Space Flight Ctr, Cryospher Sci Lab, Greenbelt, MD 20771 USA. [Steffen, Konrad] WSL, Swiss Fed Res Inst, Birmensdorf, Switzerland. [Steffen, Konrad] Swiss Fed Inst Technol, Inst Atmosphere & Climate, Zurich, Switzerland. [Steffen, Konrad] Ecole Polytech Fed Lausanne, Lausanne, Switzerland. [Wood, Len] Univ Plymouth, Sch Marine Sci & Engn, Plymouth PL4 8AA, Devon, England. [Mote, Thomas L.] Univ Georgia, Dept Geog, Athens, GA 30602 USA. RP Hanna, E (reprint author), Univ Sheffield, Dept Geog, Sheffield S10 2TN, S Yorkshire, England. EM ehanna@sheffield.ac.uk RI Steffen, Konrad/C-6027-2013; Hanna, Edward/H-2219-2016; OI Steffen, Konrad/0000-0001-8658-1026; Hanna, Edward/0000-0002-8683-182X; Fettweis, Xavier/0000-0002-4140-3813; Mote, Thomas/0000-0002-0021-0134 FU NASA MEaSUREs program; Climate Change Prediction Program; Scientific Discovery for Advanced Computing (SciDAC) program within the U.S. Department of Energy Office of Science, Los Alamos National Laboratory (LANL) Director's Fellowship; LANL Institute for Geophysics and Planetary Physics; NASA's Cryospheric Program; Danish Agency for Science, Technology and Innovation FX NASA MEaSUREs program supported the passive microwave surface melt product produced at the University of Georgia. The SnowModel work was supported by the Climate Change Prediction Program and Scientific Discovery for Advanced Computing (SciDAC) program within the U.S. Department of Energy Office of Science, Los Alamos National Laboratory (LANL) Director's Fellowship, and LANL Institute for Geophysics and Planetary Physics. Thanks to the Program for Monitoring of the Greenland Ice Sheet (PROMICE), Geological Survey of Denmark and Greenland, the Danish Meteorological Institute, the University of Utrecht, and the Greenland Climate Network (GC-Net) and the University of Colorado at Boulder for providing meteorological station observations. The GC-Net has been supported by NASA's Cryospheric Program with additional logistic support by the US-NSF Office of Polar Program. NOAA near-surface air temperature data are courtesy of Thomas Mefford (NOAA Earth System Research Laboratory Boulder, Colorado and Cooperative Institute for Research in Environmental Sciences, University of Colorado at Boulder) with additional processing by CAS and Michael J. Schnaubelt (University of Maryland, Baltimore County, Joint Center for Earth Systems Technology and Department of Physics, Baltimore, Maryland). The study received financial support from the Danish Agency for Science, Technology and Innovation and is a part of the Greenland Climate Research Centre. NCEP/NCAR Reanalysis data (Kalnay et al., 1996) plots were produced using the NOAA/ESRL Physical Sciences Division, Boulder Colorado website at . NAO Index data (Hurrell et al., 2012) were provided by the Climate Analysis Section, NCAR, Boulder, USA. SST data were provided by NOAA/ESRL and NCEP. EH thanks Grant Bigg and Tom Cropper for useful comments, and Paul Coles for help with drawing figures. NR 46 TC 49 Z9 50 U1 3 U2 49 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0899-8418 EI 1097-0088 J9 INT J CLIMATOL JI Int. J. Climatol. PD MAR PY 2014 VL 34 IS 4 BP 1022 EP 1037 DI 10.1002/joc.3743 PG 16 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AC9DG UT WOS:000332833900007 ER PT J AU Kajimoto, M Atkinson, DB Ledee, DR Kayser, EB Morgan, PG Sedensky, MM Isern, NG Des Rosiers, C Portman, MA AF Kajimoto, Masaki Atkinson, Douglas B. Ledee, Dolena R. Kayser, Ernst-Bernhard Morgan, Phil G. Sedensky, Margaret M. Isern, Nancy G. Des Rosiers, Christine Portman, Michael A. TI Propofol compared with isoflurane inhibits mitochondrial metabolism in immature swine cerebral cortex SO JOURNAL OF CEREBRAL BLOOD FLOW AND METABOLISM LA English DT Article DE anesthesia; energy metabolism; glucose; mitochondria; MR spectroscopy ID EXTRACORPOREAL MEMBRANE-OXYGENATION; RAT-BRAIN; EARLY EXPOSURE; FATTY-ACID; IN-VIVO; ANESTHESIA; OXIDATION; NMR; PHOSPHORYLATION; SPECTROSCOPY AB Anesthetics used in infants and children are implicated in the development of neurocognitive disorders. Although propofol induces neuroapoptosis in developing brain, the underlying mechanisms require elucidation and may have an energetic basis. We studied substrate utilization in immature swine anesthetized with either propofol or isoflurane for 4 hours. Piglets were infused with 13Carbon-labeled glucose and leucine in the common carotid artery to assess citric acid cycle (CAC) metabolism in the parietal cortex. The anesthetics produced similar systemic hemodynamics and cerebral oxygen saturation by near-infrared spectroscopy. Compared with isoflurane, propofol depleted ATP and glycogen stores. Propofol decreased pools of the CAC intermediates, citrate, and alpha-ketoglutarate, while markedly increasing succinate along with decreasing mitochondrial complex II activity. Propofol also inhibited acetyl-CoA entry into the CAC through pyruvate dehydrogenase, while promoting glycolytic flux with marked lactate accumulation. Although oxygen supply appeared similar between the anesthetic groups, propofol yielded a metabolic phenotype that resembled a hypoxic state. Propofol impairs substrate flux through the CAC in the immature cerebral cortex. These impairments occurred without systemic metabolic perturbations that typically accompany propofol infusion syndrome. These metabolic abnormalities may have a role in the neurotoxity observed with propofol in the vulnerable immature brain. C1 [Kajimoto, Masaki; Atkinson, Douglas B.; Ledee, Dolena R.; Kayser, Ernst-Bernhard; Morgan, Phil G.; Sedensky, Margaret M.; Portman, Michael A.] Seattle Childrens Res Inst, Ctr Dev Therapeut, Seattle, WA 98101 USA. [Isern, Nancy G.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Des Rosiers, Christine] Univ Montreal, Dept Nutr, Montreal, PQ H3C 3J7, Canada. [Des Rosiers, Christine] Montreal Heart Inst, Montreal, PQ H1T 1C8, Canada. [Portman, Michael A.] Univ Washington, Dept Pediat, Div Cardiol, Seattle, WA 98195 USA. RP Portman, MA (reprint author), Seattle Childrens Res Inst, Ctr Dev Therapeut, 1900 9th Ave, Seattle, WA 98101 USA. EM michael.portman@seattlechildrens.org RI Des Rosiers, Christine/O-6285-2014 FU National Institutes of Health [R01HL60666] FX This work was supported by the National Institutes of Health R01HL60666 to MA Portman. A portion of the research was performed using Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. NR 40 TC 13 Z9 14 U1 0 U2 9 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0271-678X EI 1559-7016 J9 J CEREBR BLOOD F MET JI J. Cereb. Blood Flow Metab. PD MAR PY 2014 VL 34 IS 3 BP 514 EP 521 DI 10.1038/jcbfm.2013.229 PG 8 WC Endocrinology & Metabolism; Hematology; Neurosciences SC Endocrinology & Metabolism; Hematology; Neurosciences & Neurology GA AC2QD UT WOS:000332348100019 PM 24398942 ER PT J AU Lu, J Sun, LT Wu, YT Chen, G AF Lu, Jian Sun, Lantao Wu, Yutian Chen, Gang TI The Role of Subtropical Irreversible PV Mixing in the Zonal Mean Circulation Response to Global Warming-Like Thermal Forcing SO JOURNAL OF CLIMATE LA English DT Article DE Wave breaking; Potential vorticity; Hadley circulation; Annular mode; Atmospheric circulation ID ATMOSPHERIC GENERAL-CIRCULATION; AMPLITUDE WAVE ACTIVITY; HADLEY-CELL; VERTICAL STRUCTURE; EDDY DIFFUSIVITY; PLANETARY-WAVES; SOUTHERN-OCEAN; PART II; MODEL; TROPOSPHERE AB The atmospheric circulation response to the global warming-like tropical upper tropospheric heating is revisited using a dry atmospheric general circulation model (AGCM) in light of new diagnostics based on the concept of finite-amplitude wave activity (FAWA) on equivalent latitude. For a given tropical heating profile, the linear Wentzel-Kramers-Brillouin (WKB) wave refraction analysis sometimes gives a very different and even opposite prediction of the eddy momentum flux response to that of the actual full model simulation, exposing the limitation of the traditional linear approach in understanding the full dynamics of the atmospheric response under global warming. The implementation of the FAWA diagnostics reveals that in response to the upper tropospheric heating, effective diffusivity-a measure of the mixing efficiency-increases and advances upward and poleward in the subtropics and the resultant enhancement and the poleward encroachment of eddy potential vorticity mixing leads to a poleward displaced potential vorticity (PV) gradient peak in the upper troposphere. The anomalous eddy PV flux, in balance with the PV dissipation, gives rise to a poleward shift in the eddy-driven jet and eddy-driven mean meridional circulation. Sensitivity experiments show that these irreversible dissipation processes in the upper troposphere are robust, regardless of the width of the tropical heating. C1 [Lu, Jian] Pacific NW Natl Lab, Richland, WA 99352 USA. [Sun, Lantao] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Wu, Yutian] NYU, New York, NY USA. [Chen, Gang] Cornell Univ, Dept Earth & Atmospher Sci, Ithaca, NY USA. RP Lu, J (reprint author), 902 Battelle Blvd,POB 999,MSIN K9-24, Richland, WA 99352 USA. EM jian.lu@pnnl.gov RI Chen, Gang/I-3305-2012; Sun, Lantao/D-9948-2015 OI Chen, Gang/0000-0003-4934-1909; Sun, Lantao/0000-0001-8578-9175 FU NSF [ATM-1064045, ATM-1064079]; Office of Science of the U.S. Department of Energy as part of the Regional and Global Climate Modeling Program; Battelle Memoiral Institute [DE-AC05-76RL01830] FX JL acknowledges Edwin Schneider for his internal review when the more primitive version of the manuscript was published as an internal technical report at COLA. The manuscript also benefited sub-stantively from the very constructive comments from Nili Harnik and Gwendal Riviere and a third anonymous reviewer. JL is supported by NSF Grant ATM-1064045 and partly by the Office of Science of the U.S. Department of Energy as part of the Regional and Global Climate Modeling Program. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memoiral Institute under Contract DE-AC05-76RL01830. LS and GC are supported by NSF Grant ATM-1064079. NR 50 TC 13 Z9 13 U1 1 U2 8 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0894-8755 EI 1520-0442 J9 J CLIMATE JI J. Clim. PD MAR PY 2014 VL 27 IS 6 BP 2297 EP 2316 DI 10.1175/JCLI-D-13-00372.1 PG 20 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AC7CO UT WOS:000332684800005 ER PT J AU Landu, K Leung, LR Hagos, S Vinoj, V Rauscher, SA Ringler, T Taylor, M AF Landu, Kiranmayi Leung, L. Ruby Hagos, Samson Vinoj, V. Rauscher, Sara A. Ringler, Todd Taylor, Mark TI The Dependence of ITCZ Structure on Model Resolution and Dynamical Core in Aquaplanet Simulations SO JOURNAL OF CLIMATE LA English DT Article DE Waves, atmospheric; Climate models; Feedback; Intertropical convergence zone ID CENTROIDAL VORONOI TESSELLATIONS; INTERTROPICAL CONVERGENCE ZONE; AQUA-PLANET SIMULATIONS; TROPICAL PRECIPITATION; HADLEY CIRCULATION; ATMOSPHERIC-MODEL; CLOUDS; ENERGY; TEMPERATURE; SENSITIVITY AB Aquaplanet simulations using the Community Atmosphere Model, version 4 (CAM4), with the Model for Prediction Across Scales-Atmosphere (MPAS-A) and High-Order Method Modeling Environment (HOMME) dynamical cores and using zonally symmetric sea surface temperature (SST) structure are studied to understand the dependence of the intertropical convergence zone (ITCZ) structure on resolution and dynamical core. While all resolutions in HOMME and the low-resolution MPAS-A simulations give a single equatorial peak in zonal mean precipitation, the high-resolution MPAS-A simulations give a double ITCZ with precipitation peaking around 2 degrees-3 degrees on either side of the equator. This study reveals that the structure of ITCZ is dependent on the feedbacks between convection and large-scale circulation. It is shown that the difference in specific humidity between HOMME and MPAS-A can lead to different latitudinal distributions of the convective available potential energy (CAPE) by influencing latent heat release by clouds and the upper-tropospheric temperature. With lower specific humidity, the high-resolution MPAS-A simulation has CAPE increasing away from the equator that enhances convection away from the equator and, through a positive feedback on the circulation, results in a double ITCZ structure. In addition, it is shown that the dominance of antisymmetric waves in the model is not enough to cause double ITCZ, and the lateral extent of equatorial waves does not play an important role in determining the width of the ITCZ but rather the latter may influence the former. C1 [Landu, Kiranmayi; Leung, L. Ruby; Hagos, Samson; Vinoj, V.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Rauscher, Sara A.; Ringler, Todd] Los Alamos Natl Lab, Los Alamos, NM USA. [Taylor, Mark] Sandia Natl Labs, Albuquerque, NM USA. RP Landu, K (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM kiranmayi.landu@pnnl.gov RI Vinoj, V./C-3241-2008 OI Vinoj, V./0000-0001-8573-6073 FU Department of Energy Regional and Global Climate Modeling (RGCM) Program through the project "Development of frameworks for robust regional modeling''; U.S. Department of Energy [DE-AC05-76RLO1830] FX This study was funded by the Department of Energy Regional and Global Climate Modeling (RGCM) Program through the project "Development of frameworks for robust regional modeling.'' We thank Prof. Eric D. Maloney of Colorado State University for constructive discussions on analysis of the equatorial waves. We thank Dr. Jin-Ho Yoon for constructive reviews in improving the quality of the manuscript. Thanks also go to Dr. Hui Wan at PNNL for insightful discussions. PNNL is operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract DE-AC05-76RLO1830. NR 41 TC 10 Z9 10 U1 1 U2 14 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0894-8755 EI 1520-0442 J9 J CLIMATE JI J. Clim. PD MAR PY 2014 VL 27 IS 6 BP 2375 EP 2385 DI 10.1175/JCLI-D-13-00269.1 PG 11 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AC7CO UT WOS:000332684800010 ER PT J AU Slysz, GW Steinke, L Ward, DM Klatt, CG Clauss, TRW Purvine, SO Payne, SH Anderson, GA Smith, RD Lipton, MS AF Slysz, Gordon W. Steinke, Laurey Ward, David M. Klatt, Christian G. Clauss, Therese R. W. Purvine, Samuel O. Payne, Samuel H. Anderson, Gordon A. Smith, Richard D. Lipton, Mary S. TI Automated Data Extraction from In Situ Protein-Stable Isotope Probing Studies SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE stable isotope probing; C-13 labeling; carbon metabolism; proteomics; bioinformatics; metaproteomics ID TANDEM MASS-SPECTRA; H/D EXCHANGE-MS; PEPTIDE IDENTIFICATION; MICROBIAL COMMUNITIES; SOFTWARE PACKAGE; PROTEOMICS DATA; ACCURATE MASS; SPECTROMETRY; SIP; QUANTIFICATION AB Protein-stable isotope probing (protein-SIP) has strong potential for revealing key metabolizing taxa in complex microbial communities. While most protein-SIP work to date has been performed under controlled laboratory conditions to allow extensive isotope labeling of the target organism(s), a key application will be in situ studies of microbial communities for short periods of time under natural conditions that result in small degrees of partial labeling. One hurdle restricting large-scale in situ protein-SIP studies is the lack of algorithms and software for automated data processing of the massive data sets resulting from such studies. In response, we developed Stable Isotope Probing Protein Extraction Resources software (SIPPER) and applied it for large-scale extraction and visualization of data from short-term (3 h) protein-SIP experiments performed in situ on phototrophic bacterial mats isolated from Yellowstone National Park. Several metrics incorporated into the software allow it to support exhaustive analysis of the complex composite isotopic envelope observed as a result of low amounts of partial label incorporation. SIPPER also enables the detection of labeled molecular species without the need for any prior identification. C1 [Slysz, Gordon W.; Clauss, Therese R. W.; Purvine, Samuel O.; Payne, Samuel H.; Anderson, Gordon A.; Smith, Richard D.; Lipton, Mary S.] Pacific NW Natl Lab, Richland, WA 99354 USA. [Steinke, Laurey] Univ Nebraska Med Ctr, Omaha, NE 68182 USA. [Ward, David M.; Klatt, Christian G.] Montana State Univ, Bozeman, MT 59715 USA. RP Lipton, MS (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM mary.lipton@pnl.gov RI Smith, Richard/J-3664-2012; Lipton, Mary/H-3913-2012; OI Smith, Richard/0000-0002-2381-2349; Payne, Samuel/0000-0002-8351-1994 FU U.S. Department of Energy Office of Biological and Environmental Research (DOE/BER) Genome Sciences Program under the Pan-omics and Fundamental Science Focus Area projects; National Science Foundation [EF 0805385]; NASA Exobiology Program; NSF IGERT program [DGE 0654336]; Nebraska Research Initiative FX Portions of this research were supported by the U.S. Department of Energy Office of Biological and Environmental Research (DOE/BER) Genome Sciences Program under the Pan-omics and Fundamental Science Focus Area projects. Work was performed in the Environmental Molecular Science Laboratory, a DOE/BER national scientific user facility at Pacific Northwest National Laboratory in Richland, Washington. L.S. and D.M.W. acknowledge support by the National Science Foundation (EF 0805385). D.M.W. also acknowledges support from the NASA Exobiology Program and the NSF IGERT program (DGE 0654336). We appreciate the assistance of Tracy Cheever during the field expedition, and the technical assistance of Michele Fontaine. The UNMC Protein Structure Core Facility, supported by the Nebraska Research Initiative, was instrumental in the completion of this work. This study was conducted under Yellowstone National Park permits YELL-0129 (D.M.W.) and YELL-0567 (LS.). The authors gratefully acknowledge the support and assistance of National Park Service Personnel at Yellowstone National Park. NR 44 TC 5 Z9 5 U1 2 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 EI 1535-3907 J9 J PROTEOME RES JI J. Proteome Res. PD MAR PY 2014 VL 13 IS 3 BP 1200 EP 1210 DI 10.1021/pr400633j PG 11 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA AC8AV UT WOS:000332756300004 PM 24467184 ER PT J AU Li, Z Czarnecki, O Chourey, K Yang, J Tuskan, GA Hurst, GB Pan, CL Chen, JG AF Li, Zhou Czarnecki, Olaf Chourey, Karuna Yang, Jun Tuskan, Gerald A. Hurst, Gregory B. Pan, Chongle Chen, Jin-Gui TI Strigolactone-Regulated Proteins Revealed by iTRAQ-Based Quantitative Proteomics in Arabidopsis SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE Arabidopsis; GR24; iTRAQ; MORE AXILLARY GROWTH (MAX); proteomics; strigolactones ID ARBUSCULAR MYCORRHIZAL FUNGI; TILLER BUD OUTGROWTH; PHOSPHATE DEFICIENCY; PLANT DEVELOPMENT; ACTS DOWNSTREAM; PHOSPHORUS DEFICIENCY; TRANSCRIPTION FACTORS; MEDICAGO-TRUNCATULA; MASS-SPECTROMETRY; SEED-GERMINATION AB Strigolactones (SLs) are a new class of plant hormones. In addition to acting as a key inhibitor of shoot branching, SLs stimulate seed germination of root parasitic plants and promote hyphal branching and root colonization of symbiotic arbuscular mycorrhizal fungi. They also regulate many other aspects of plant growth and development. At the transcription level, SL-regulated genes have been reported. However, nothing is known about the proteome regulated by this new class of plant hormones. A quantitative proteomics approach using an isobaric chemical labeling reagent, iTRAQ, to identify the proteome regulated by SLs in Arabidopsis seedlings is presented. It was found that SLs regulate the expression of about three dozen proteins that have not been previously assigned to SL pathways. These findings provide a new tool to investigate the molecular mechanism of action of SLs. C1 [Li, Zhou; Chourey, Karuna; Hurst, Gregory B.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Czarnecki, Olaf; Yang, Jun; Tuskan, Gerald A.; Chen, Jin-Gui] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Pan, Chongle] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Li, Zhou] Univ Tennessee, Oak Ridge Natl Lab, Grad Sch Genome Sci & Technol, Knoxville, TN 37996 USA. RP Chen, JG (reprint author), Oak Ridge Natl Lab, Biosci Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM chenj@ornl.gov RI Chen, Jin-Gui/A-4773-2011; Li, Zhou/L-7976-2015; Tuskan, Gerald/A-6225-2011; OI Chen, Jin-Gui/0000-0002-1752-4201; Tuskan, Gerald/0000-0003-0106-1289; Hurst, Gregory/0000-0002-7650-8009; , /0000-0002-9216-3813 FU Plant-Microbe Interfaces Scientific Focus Area in the Genomic Science Program, United States Department of Energy, Office of Science, Biological and Environmental Research; United States Department of Energy [DE-AC05-00OR22725]; Laboratory Directed Research and Development Program (Seed Money Fund) of Oak Ridge National Laboratory FX This work was supported by the Plant-Microbe Interfaces Scientific Focus Area in the Genomic Science Program, United States Department of Energy, Office of Science, Biological and Environmental Research. Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the United States Department of Energy under contract DE-AC05-00OR22725. The early phase of this work was supported by the Laboratory Directed Research and Development Program (Seed Money Fund) of Oak Ridge National Laboratory. NR 114 TC 12 Z9 13 U1 3 U2 81 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 EI 1535-3907 J9 J PROTEOME RES JI J. Proteome Res. PD MAR PY 2014 VL 13 IS 3 BP 1359 EP 1372 DI 10.1021/pr400925t PG 14 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA AC8AV UT WOS:000332756300018 PM 24559214 ER PT J AU Austin, RA McDowell, DL Benson, DJ AF Austin, Ryan A. McDowell, David L. Benson, David J. TI The deformation and mixing of several Ni/Al powders under shock wave loading: effects of initial configuration SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article DE metallic powders; shock wave loading; finite element simulation; viscoplasticity; reactant mixing; shock ignition ID INDUCED CHEMICAL-REACTIONS; DIRECT NUMERICAL-SIMULATION; COMPRESSION RESPONSE; CONSTITUTIVE MODEL; COPPER-POWDER; MIXTURES; MESOSCALE; ALUMINUM; VELOCITY; NICKEL AB The shock wave initiation of ultra-fast chemical reactions in inorganic powder mixtures requires the reactants to be blended within the shock front or shortly behind it. As such, the details of particle deformation are crucial to understanding the sequence of events leading up to the shock initiation of these systems. It is known that the initial configuration of a powder (i.e. the mixture composition and particle morphology) can have a significant effect on the degree of mixing that is achieved under shock wave loading. However, it is difficult to fully resolve this mixing behaviour in shock compression experiments due to the time and length scales involved. In this work, the shock wave deformation and mixing of six distinct Ni/Al powders are studied at the particle level using finite element simulation. Attention is focused on the Ni/Al interfaces that are formed since overall mixture reactivity depends on the specific amount of reactant interfacial area and on conditions induced at those interfaces. The analysis reveals (i) a rank ordering of the powders based on reactant interfacial area formation, (ii) a scaling relation for the rate of Ni/Al interface production and (iii) the distributed nature of Ni/Al interface temperature and dislocation density over a range of shock stress. Finally, it is shown that particle velocity differentials tend to develop across Ni/Al interfaces when the compacted powders are reshocked by reflection waves. The velocity differentials stem from the heterogeneity of the aggregates and are hypothesized to drive fragmentation processes that enable ultra-fast reactions on a sub-microsecond time scale. C1 [Austin, Ryan A.; McDowell, David L.] Georgia Inst Technol, Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. [McDowell, David L.] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. [Benson, David J.] Univ Calif San Diego, Dept Struct Engn, La Jolla, CA 92093 USA. RP Austin, RA (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM austin28@llnl.gov RI Austin, Ryan/J-9003-2014 FU NDSEG; NSF CMMI [0758265]; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344 (LLNL-JRNL-635678)] FX This research was carried out under the support of the NDSEG fellowship programme and the AFRL Munitions Directorate (Y Horie, technical monitor). DLM is grateful for the support of the Carter N Paden, Jr Distinguished Chair in Metals Processing and NSF CMMI grant 0758265 on Multiresolution, Coarse-Grained Modelling of 3D Dislocation Nucleation and Migration. This work was performed, in part, under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344 (LLNL-JRNL-635678). NR 44 TC 5 Z9 5 U1 2 U2 16 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 EI 1361-651X J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD MAR PY 2014 VL 22 IS 2 AR 025018 DI 10.1088/0965-0393/22/2/025018 PG 24 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AC9DN UT WOS:000332834600018 ER PT J AU Baskes, MI Srinivasan, SG AF Baskes, M. I. Srinivasan, S. G. TI The embedded atom method ansatz: validation and violation SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article DE EAM; DFT; potentials ID GENERALIZED GRADIENT APPROXIMATION; INITIO MOLECULAR-DYNAMICS; FCC METALS; IMPURITIES; SURFACES AB The addition of the embedding energy term to pair interaction contribution has made the embedded atom method (EAM) potentials a simple and vastly superior alternative to popular classical pair potentials. EAM relies on the ansatz that the embedding energy is a function of a linear superposition of spherically averaged atomic electron densities. This ansatz is taken to be self-evident and inviolate. Using density functional theory (DFT) calculations of a model face-centered cubic (fcc) Cu system, we systematically investigate the validity of this foundational ansatz of EAM. We conclude that it (1) agrees well with DFT calculations along a path with changing coordination and symmetry, (2) captures the exponential decrease of the background electron density with respect to distance, (3) demonstrates transferability as seen by agreement of electron densities for other non-fcc structures with first nearest neighbor (NN) coordination ranging from 4 to 12 and (4) fails to explain the behavior of background electron density with respect to second NN distance and arrangements. This failure may be remedied by including a fraction of the second N Natomic electron density in the background electron density, including angular contributions to the density, or including electron density rearrangement. These insights likely make EAM approaches more broadly applicable, more predictive and perhaps unique, and in the process broadly impact atomistic modeling. A new EAM potential is presented that for the first time reproduces electron densities from DFT calculations as well as experimental properties of Cu in the potential fitting. C1 [Baskes, M. I.] Mississippi State Univ, Dept Aerosp Engn, Starkville, MS 39759 USA. [Baskes, M. I.] Univ Calif San Diego, Dept Mech & Aerosp Engn, San Diego, CA 92103 USA. [Baskes, M. I.; Srinivasan, S. G.] Univ N Texas, Dept Mat Sci & Engn, Denton, TX 76203 USA. [Baskes, M. I.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Baskes, MI (reprint author), Mississippi State Univ, Dept Aerosp Engn, Starkville, MS 39759 USA. EM baskes@lanl.gov; srinivasan.srivilliputhur@unt.edu FU National Science Foundation [0846444] FX We thank G Henkelman for helpful discussions and S Foiles for the use of his computer code. SGS thanks National Science Foundation for support (Award No 0846444). We used the Talon cluster at UNT. NR 18 TC 2 Z9 2 U1 0 U2 16 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 EI 1361-651X J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD MAR PY 2014 VL 22 IS 2 AR 025025 DI 10.1088/0965-0393/22/2/025025 PG 9 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AC9DN UT WOS:000332834600025 ER PT J AU Li, YL Hu, SY Zhang, L Sun, X AF Li, Yulan Hu, Shenyang Zhang, Lei Sun, Xin TI Non-classical nuclei and growth kinetics of Cr precipitates in FeCr alloys during ageing SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article DE critical nucleus; nucleation barrier; dimer method; phase-field approach; FeCr alloys ID SHRINKING DIMER DYNAMICS; SADDLE-POINT SEARCH; ATOMIC-SCALE; PHASE; TRANSFORMATIONS; MORPHOLOGIES AB In this manuscript, we have quantitatively calculated the thermodynamic properties of the critical nuclei of Cr precipitates in FeCr alloys. The concentration profiles of the critical nuclei and nucleation energy barriers were predicted by the constrained shrinking dimer dynamics method. It is found that Cr concentration distribution in the critical nuclei strongly depends on the overall Cr concentration as well as on the temperature. The critical nuclei are non-classical because the concentration in the nuclei is smaller than the thermodynamic equilibrium value. These results are in agreement with atomic probe observation. The growth kinetics of both classical and non-classical nuclei was investigated by the phase-field approach. The simulations of critical nucleus evolution showed a number of interesting phenomena: (1) a critical classical nucleus first shrinks toward its non-classical nucleus and then grows; (2) a non-classical nucleus has much slower growth kinetics at its earlier growth stage compared to the diffusion-controlled growth kinetics and (3) a critical classical nucleus grows faster at the earlier growth stage than does a non-classical nucleus. All of these results demonstrate that it is critical to introduce the correct critical nuclei in order to correctly capture the kinetics of precipitation. C1 [Li, Yulan; Hu, Shenyang; Sun, Xin] Pacific NW Natl Lab, Richland, WA 99352 USA. [Zhang, Lei] Peking Univ, Beijing Int Ctr Math Res, Beijing 100871, Peoples R China. RP Li, YL (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM yulan.li@pnnl.gov OI HU, Shenyang/0000-0002-7187-3082 FU US Department of Energy's Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program in Pacific Northwest National Laboratory (PNNL); US Department of Energy [DE-AC05-76RL01830] FX This research was supported by the US Department of Energy's Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program in Pacific Northwest National Laboratory (PNNL), which is operated by Battelle Memorial Institute for the US Department of Energy under Contract No DE-AC05-76RL01830. NR 18 TC 2 Z9 2 U1 3 U2 16 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 EI 1361-651X J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD MAR PY 2014 VL 22 IS 2 AR 025002 DI 10.1088/0965-0393/22/2/025002 PG 13 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AC9DN UT WOS:000332834600002 ER PT J AU Sandoval, L Campbell, GH Marian, J AF Sandoval, Luis Campbell, Geoffrey H. Marian, Jaime TI Thermodynamic interpretation of reactive processes in Ni-Al nanolayers from atomistic simulations SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article DE Ni-Al; molecular dynamics; free energies ID FREE-ENERGY CALCULATIONS; MULTILAYER THIN-FILMS; MOLECULAR-DYNAMICS; LIQUID; PHASE; MODELS; ALLOYS; INTERFACE; DIFFUSION; NI3AL AB Metals that can form intermetallic compounds by exothermic reactions constitute a class of reactive materials with multiple applications. Ni-Al laminates of thin alternating layers are being considered as model nanometric metallic multilayers for studying various reaction processes. However, the reaction kinetics at short timescales after mixing are not entirely understood. In this work, we calculate the free energies of Ni-Al alloys as a function of composition and temperature for different solid phases using thermodynamic integration based on state-of-the-art interatomic potentials. We use this information to interpret molecular dynamics (MD) simulations of bilayer systems at 800K and zero pressure, both in isothermal and isenthalpic conditions. We find that a disordered phase always forms upon mixing as a precursor to a more stable nano crystalline B2 phase. We construe the reactions observed in terms of thermodynamic trajectories governed by the state variables computed. Simulated times of up to 30 ns were achieved, which provides a window to phenomena not previously observed in MD simulations. Our results provide insight into the early experimental reaction timescales and suggest that the path (segregated reactants)->(disordered phase)->(B2 structure) is always realized irrespective of the imposed boundary conditions. C1 [Sandoval, Luis; Campbell, Geoffrey H.; Marian, Jaime] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94551 USA. RP Sandoval, L (reprint author), Los Alamos Natl Lab, Theoret Div T1, POB 1663, Los Alamos, NM 87545 USA. RI Sandoval, Luis/B-2221-2009 OI Sandoval, Luis/0000-0002-1172-7972 FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; DOE Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering; DOE's Early Career Research Program FX We thank Dr A Caro for critically reviewing the manuscript. This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. The contributions of LS and GHC to this work were supported by DOE Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. JM acknowledges support from the DOE's Early Career Research Program. NR 46 TC 6 Z9 7 U1 1 U2 29 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 EI 1361-651X J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD MAR PY 2014 VL 22 IS 2 AR 025022 DI 10.1088/0965-0393/22/2/025022 PG 19 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AC9DN UT WOS:000332834600022 ER PT J AU Sills, RB Cai, W AF Sills, Ryan B. Cai, Wei TI Efficient time integration in dislocation dynamics SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article DE dislocation dynamics; time integrator; implicit method; subcycling ID PLASTIC-DEFORMATION; MESOSCOPIC SCALE; SIMULATIONS; CRYSTALS AB The efficiencies of one implicit and three explicit time integrators have been compared in line dislocation dynamics simulations using two test cases: a collapsing loop and a Frank-Read (FR) source with a jog. The time-step size and computational efficiency of the explicit integrators is shown to become severely limited due to the presence of so-called stiff modes, which include the oscillatory zig-zag motion of discretization nodes and orientation fluctuations of the jog. In the stability-limited regime dictated by these stiff modes, the implicit integrator shows superior efficiency when using a Jacobian that only accounts for short-range interactions due to elasticity and line tension. However, when a stable dislocation dipole forms during a jogged FR source simulation, even the implicit integrator suffers a substantial drop in the time-step size. To restore computational efficiency, a time-step subcycling algorithm is tested, in which the nodes involved in the dipole are integrated over multiple smaller, local time steps, while the remaining nodes take a single larger, global time step. The time-step subcycling method leads to substantial efficiency gain when combined with either an implicit or an explicit integrator. C1 [Sills, Ryan B.; Cai, Wei] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. [Sills, Ryan B.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Sills, RB (reprint author), Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. EM rbsills@stanford.edu OI Cai, Wei/0000-0001-5919-8734 FU US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-SC0010412]; Sandia National Laboratories; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award No. DE-SC0010412 (WC), and by Sandia National Laboratories (RBS). 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. We would like to thank William P Kuykendall for conducting two-dimensional DD simulations in support of the stability analysis of dipoles. We thank Dr A Arsenlis at Lawrence Livermore National Laboratory for useful discussions. NR 40 TC 3 Z9 3 U1 0 U2 14 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 EI 1361-651X J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD MAR PY 2014 VL 22 IS 2 AR 025003 DI 10.1088/0965-0393/22/2/025003 PG 26 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AC9DN UT WOS:000332834600003 ER PT J AU Meyer, JG Kim, S Maltby, DA Ghassemian, M Bandeira, N Komives, EA AF Meyer, Jesse G. Kim, Sangtae Maltby, David A. Ghassemian, Majid Bandeira, Nuno Komives, Elizabeth A. TI Expanding Proteome Coverage with Orthogonal-specificity-Lytic Proteases SO MOLECULAR & CELLULAR PROTEOMICS LA English DT Article ID TANDEM MASS-SPECTROMETRY; PEPTIDE IDENTIFICATION; STATISTICAL CHARACTERIZATION; SUBSTRATE-SPECIFICITY; DATABASE SEARCH; SERINE-PROTEASE; CHARGE-STATE; ACTIVE-SITE; LOW-ENERGY; SPECTRA AB Bottom-up proteomics studies traditionally involve proteome digestion with a single protease, trypsin. However, trypsin alone does not generate peptides that encompass the entire proteome. Alternative proteases have been explored, but most have specificity for charged amino acid side chains. Therefore, additional proteases that improve proteome coverage through cleavage at sequences complementary to trypsin's may increase proteome coverage. We demonstrate the novel application of two proteases for bottom-up proteomics: wild type -lytic protease (WaLP) and an active site mutant of WaLP, M190A -lytic protease (MaLP). We assess several relevant factors, including MS/MS fragmentation, peptide length, peptide yield, and protease specificity. When data from separate digestions with trypsin, LysC, WaLP, and MaLP were combined, proteome coverage was increased by 101% relative to that achieved with trypsin digestion alone. To demonstrate how the gained sequence coverage can yield additional post-translational modification information, we show the identification of a number of novel phosphorylation sites in the Schizosaccharomyces pombe proteome and include an illustrative example from the protein MPD2 wherein two novel sites are identified, one in a tryptic peptide too short to identify and the other in a sequence devoid of tryptic sites. The specificity of WaLP and MaLP for aliphatic amino acid side chains was particularly valuable for coverage of membrane protein sequences, which increased 350% when the data from trypsin, LysC, WaLP, and MaLP were combined. C1 [Meyer, Jesse G.; Ghassemian, Majid; Komives, Elizabeth A.] Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA. [Kim, Sangtae] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Maltby, David A.] Univ Calif San Francisco, Dept Pharmaceut Chem, San Francisco, CA 94158 USA. [Bandeira, Nuno] Univ Calif San Diego, Dept Comp Sci & Engn, San Diego, CA 92103 USA. [Bandeira, Nuno] Univ Calif San Diego, Skaggs Sch Pharm & Pharmaceut Sci, San Diego, CA 92093 USA. RP Komives, EA (reprint author), Univ Calif San Diego, Dept Chem & Biochem, 9500 Gilman Dr, La Jolla, CA 92093 USA. EM ekomives@ucsd.edu FU Interfaces Training Grant [T32EB009380]; NSF [MCB1244506]; NIH [3-P41-GM103484] FX J.G.M. was supported by the Interfaces Training Grant (T32EB009380). This work was supported by generous funding from the NSF (MCB1244506) to E.A.K. and by funding from the NIH (3-P41-GM103484) to N.B. The Proteome Coverage Summarizer software tool from Pacific Northwest National Laboratory (OMICS.PNNL.GOV) is gratefully acknowledged. NR 47 TC 18 Z9 18 U1 1 U2 11 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 1535-9476 EI 1535-9484 J9 MOL CELL PROTEOMICS JI Mol. Cell. Proteomics PD MAR PY 2014 VL 13 IS 3 BP 823 EP 835 DI 10.1074/mcp.M113.034710 PG 13 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA AC3BX UT WOS:000332391100010 PM 24425750 ER PT J AU Carr, SA Abbatiello, SE Ackermann, BL Borchers, C Domon, B Deutsch, EW Grant, RP Hoofnagle, AN Huttenhain, R Koomen, JM Liebler, DC Liu, T MacLean, B Mani, D Mansfield, E Neubert, H Paulovich, AG Reiter, L Vitek, O Aebersold, R Anderson, L Bethem, R Blonder, J Boja, E Botelho, J Boyne, M Bradshaw, RA Burlingame, AL Chan, D Keshishian, H Kuhn, E Kinsinger, C Lee, JSH Lee, SW Moritz, R Oses-Prieto, J Rifai, N Ritchie, J Rodriguez, H Srinivas, PR Townsend, RR Van Eyk, J Whiteley, G Wiita, A Weintraub, S AF Carr, Steven A. Abbatiello, Susan E. Ackermann, Bradley L. Borchers, Christoph Domon, Bruno Deutsch, Eric W. Grant, Russell P. Hoofnagle, Andrew N. Huettenhain, Ruth Koomen, John M. Liebler, Daniel C. Liu, Tao MacLean, Brendan Mani, D. R. Mansfield, Elizabeth Neubert, Hendrik Paulovich, Amanda G. Reiter, Lukas Vitek, Olga Aebersold, Ruedi Anderson, Leigh Bethem, Robert Blonder, Josip Boja, Emily Botelho, Julianne Boyne, Michael Bradshaw, Ralph A. Burlingame, Alma L. Chan, Daniel Keshishian, Hasmik Kuhn, Eric Kinsinger, Christopher Lee, Jerry S. H. Lee, Sang-Won Moritz, Robert Oses-Prieto, Juan Rifai, Nader Ritchie, James Rodriguez, Henry Srinivas, Pothur R. Townsend, R. Reid Van Eyk, Jennifer Whiteley, Gordon Wiita, Arun Weintraub, Susan TI Targeted Peptide Measurements in Biology and Medicine: Best Practices for Mass Spectrometry- based Assay Development Using a Fit- for- Purpose Approach SO MOLECULAR & CELLULAR PROTEOMICS LA English DT Article ID DATA-INDEPENDENT ACQUISITION; PROTEIN IDENTIFICATION DATA; EUROPEAN BIOANALYSIS FORUM; LC-MS/MS ASSAY; ISOTOPE-DILUTION; INBORN-ERRORS; ABSOLUTE QUANTIFICATION; QUANTITATIVE PROTEOMICS; CARDIOVASCULAR-DISEASE; BIOMARKER DISCOVERY AB Adoption of targeted mass spectrometry (MS) approaches such as multiple reaction monitoring (MRM) to study biological and biomedical questions is well underway in the proteomics community. Successful application depends on the ability to generate reliable assays that uniquely and confidently identify target peptides in a sample. Unfortunately, there is a wide range of criteria being applied to say that an assay has been successfully developed. There is no consensus on what criteria are acceptable and little understanding of the impact of variable criteria on the quality of the results generated. Publications describing targeted MS assays for peptides frequently do not contain sufficient information for readers to establish confidence that the tests work as intended or to be able to apply the tests described in their own labs. Guidance must be developed so that targeted MS assays with established performance can be made widely distributed and applied by many labs worldwide. To begin to address the problems and their solutions, a workshop was held at the National Institutes of Health with representatives from the multiple communities developing and employing targeted MS assays. Participants discussed the analytical goals of their experiments and the experimental evidence needed to establish that the assays they develop work as intended and are achieving the required levels of performance. Using this fit-for-purpose approach, the group defined three tiers of assays distinguished by their performance and extent of analytical characterization. Computational and statistical tools useful for the analysis of targeted MS results were described. Participants also detailed the information that authors need to provide in their manuscripts to enable reviewers and readers to clearly understand what procedures were performed and to evaluate the reliability of the peptide or protein quantification measurements reported. This paper presents a summary of the meeting and recommendations. C1 [Carr, Steven A.; Abbatiello, Susan E.; Mani, D. R.; Keshishian, Hasmik; Kuhn, Eric] Broad Inst MIT & Harvard, Cambridge, MA USA. [Ackermann, Bradley L.] Eli Lilly & Co, Indianapolis, IN 46285 USA. [Borchers, Christoph] Univ Victoria, Victoria, BC, Canada. [Domon, Bruno] Luxembourg Clin Prote Ctr, Luxembourg, Luxembourg. [Deutsch, Eric W.; Moritz, Robert] Inst Syst Biol, Seattle, WA USA. [Grant, Russell P.] Lab Corp Amer, Burlington, NC USA. [Hoofnagle, Andrew N.; MacLean, Brendan] Univ Washington, Seattle, WA 98195 USA. [Huettenhain, Ruth; Aebersold, Ruedi] Swiss Fed Inst Technol, Inst Mol Syst Biol, Zurich, Switzerland. [Huettenhain, Ruth; Bradshaw, Ralph A.; Burlingame, Alma L.; Oses-Prieto, Juan; Wiita, Arun] Univ Calif San Francisco, San Francisco, CA 94143 USA. [Koomen, John M.] Univ S Florida, H Lee Moffitt Canc Ctr, Tampa, FL 33682 USA. [Liebler, Daniel C.] Vanderbilt Univ, Nashville, TN 37235 USA. [Liu, Tao] Pacific NW Natl Lab, Richland, WA 99352 USA. [Mansfield, Elizabeth; Boyne, Michael] US FDA, Silver Spring, MD USA. [Neubert, Hendrik] Pfizer, Andover, MA USA. [Paulovich, Amanda G.] Fred Hutchinson Canc Res Ctr, Seattle, WA 98104 USA. [Reiter, Lukas] Biognosys Schlieren, Zurich, Switzerland. [Vitek, Olga] Purdue Univ, Purdue, IN USA. [Anderson, Leigh] SISCAPA Assay Technol Inc, Washington, DC USA. [Bethem, Robert] RAB Consulting, Novato, CA USA. [Blonder, Josip; Boja, Emily; Kinsinger, Christopher; Lee, Jerry S. H.; Rodriguez, Henry] NCI, NIH Bethesda, Bethesda, MD 20892 USA. [Botelho, Julianne] Ctr Dis Control & Prevent, Atlanta, GA USA. [Chan, Daniel; Lee, Jerry S. H.; Van Eyk, Jennifer] Johns Hopkins Univ, Baltimore, MD USA. [Lee, Sang-Won] Korea Univ, Seoul, South Korea. [Rifai, Nader] Childrens Hosp, Boston, MA 02115 USA. [Ritchie, James] Emory Univ, Atlanta, GA 30322 USA. [Srinivas, Pothur R.] NHLBI, NIH Bethesda, Bethesda, MD USA. [Townsend, R. Reid] Washington Univ, St Louis, MO USA. [Whiteley, Gordon] Liedos Biomed Res Inc, Frederick Natl Lab Canc Res, Washington, DC USA. [Weintraub, Susan] Univ Texas Hlth Sci Ctr San Antonio, San Antonio, TX 78229 USA. RP Carr, SA (reprint author), Broad Inst MIT & Harvard, Dept Prote, 7 Cambridge Ctr, Cambridge, MA 02142 USA. EM scarr@broad.mit.edu RI Lee, Sang-Won/H-6760-2013; Lee, Jerry/K-4553-2014; OI Lee, Sang-Won/0000-0002-5042-0084; Oses-Prieto, Juan/0000-0003-4759-2341; Lee, Jerry/0000-0003-1515-0952; Liebler, Daniel/0000-0002-7873-3031 FU Broad Institute of MIT and Harvard; US National Institutes of Health from the National Cancer Institute Clinical Proteomics Tumor Analysis Consortium Initiative [U24CA160034]; US National Institutes of Health from the National Heart, Lung, and Blood Institute [HHSN268201000033C, R01HL096738] FX This work was supported in part by the Broad Institute of MIT and Harvard and by the following grants from the US National Institutes of Health: grant U24CA160034 from the National Cancer Institute Clinical Proteomics Tumor Analysis Consortium Initiative (to S.A.C.) and grants HHSN268201000033C and R01HL096738 from the National Heart, Lung, and Blood Institute (to S.A.C.). NR 98 TC 142 Z9 143 U1 11 U2 61 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 1535-9476 EI 1535-9484 J9 MOL CELL PROTEOMICS JI Mol. Cell. Proteomics PD MAR PY 2014 VL 13 IS 3 BP 907 EP 917 DI 10.1074/mcp.M113.036095 PG 11 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA AC3BX UT WOS:000332391100017 PM 24443746 ER PT J AU Taminiau, TH Cramer, J van der Sar, T Dobrovitski, VV Hanson, R AF Taminiau, T. H. Cramer, J. van der Sar, T. Dobrovitski, V. V. Hanson, R. TI Universal control and error correction in multi-qubit spin registers in diamond SO NATURE NANOTECHNOLOGY LA English DT Article ID NUCLEAR-SPIN; QUANTUM REGISTER; ELECTRONIC SPIN; ONE 2ND; ENTANGLEMENT; READOUT; SILICON; GATES AB Quantum registers of nuclear spins coupled to electron spins of individual solid-state defects are a promising platform for quantum information processing(1-13). Pioneering experiments selected defects with favourably located nuclear spins with particularly strong hyperfine couplings(4-10). To progress towards large-scale applications, larger and deterministically available nuclear registers are highly desirable. Here, we realize universal control over multi-qubit spin registers by harnessing abundant weakly coupled nuclear spins. We use the electron spin of a nitrogen-vacancy centre in diamond to selectively initialize, control and read out carbon-13 spins in the surrounding spin bath and construct high-fidelity single-and two-qubit gates. We exploit these new capabilities to implement a three-qubit quantum-error-correction protocol(14-17) and demonstrate the robustness of the encoded state against applied errors. These results transform weakly coupled nuclear spins from a source of decoherence into a reliable resource, paving the way towards extended quantum networks and surface-code quantum computing based on multi-qubit nodes(11,18,19). C1 [Taminiau, T. H.; Cramer, J.; van der Sar, T.; Hanson, R.] Delft Univ Technol, Kavli Inst Nanosci, NL-2600 GA Delft, Netherlands. [Dobrovitski, V. V.] Ames Lab, Ames, IA 50011 USA. [Dobrovitski, V. V.] Iowa State Univ, Ames, IA 50011 USA. RP Hanson, R (reprint author), Delft Univ Technol, Kavli Inst Nanosci, POB 5046, NL-2600 GA Delft, Netherlands. EM r.hanson@tudelft.nl RI Hanson, Ronald/B-9555-2008 FU US Department of Energy Basic Energy Sciences [DE-AC02-07CH11358] FX The authors thank L.Childress, J.J.L.Morton, O.Moussa and L.M.K.Vandersypen for discussions and comments.T.H.T.acknowledges support from a Marie Curie Intra European Fellowship within the 7th European Community Framework Programme.Work at the Ames Laboratory was supported by the US Department of Energy Basic Energy Sciences (contract no.DE-AC02-07CH11358). The authors acknowledge support from the Dutch Organization for Fundamental Research on Matter (FOM), the Netherlands Organization for Scientific Research (NWO), the DARPA QuASAR programme, the EU SOLID and DIAMANT programmes, and the European Research Council through a Starting Grant. NR 32 TC 68 Z9 68 U1 4 U2 60 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1748-3387 EI 1748-3395 J9 NAT NANOTECHNOL JI Nat. Nanotechnol. PD MAR PY 2014 VL 9 IS 3 BP 171 EP 176 DI 10.1038/NNANO.2014.2 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA AC6MI UT WOS:000332637200008 PM 24487650 ER PT J AU Vasseur, R Jacobsen, JL AF Vasseur, Romain Jacobsen, Jesper Lykke TI Operator content of the critical Potts model in d dimensions and logarithmic correlations SO NUCLEAR PHYSICS B LA English DT Article ID CONFORMAL FIELD-THEORY; GL(1-VERTICAL-BAR-1) SPIN CHAIN; DISORDERED-SYSTEMS; CRITICAL EXPONENTS; PHASE-TRANSITION; MONTE-CARLO; LOOP MODELS; PERCOLATION; INVARIANCE; POLYMERS AB Using the symmetric group S-Q symmetry of the Q-state Potts model, we classify the (scalar) operator content of its underlying field theory in arbitrary dimension. In addition to the usual identity, energy and magnetization operators, we find fields that generalize the N-cluster operators well-known in two dimensions, together with their subleading counterparts. We give the explicit form of all these operators up to non-universal constants both on the lattice and in the continuum limit for the Landau theory. We compute exactly their two- and three-point correlation functions on an arbitrary graph in terms of simple probabilities, and give the general form of these correlation functions in the continuum limit at the critical point. Specializing to integer values of the parameter Q, we argue that the analytic continuation of the S-Q symmetry yields logarithmic correlations at the critical point in arbitrary dimension, thus implying a mixing of some scaling fields by the scale transformation generator. All these logarithmic correlation functions are given a clear geometrical meaning, which can be checked in numerical simulations. Several physical examples are discussed, including bond percolation, spanning trees and forests, resistor networks and the Ising model. We also briefly address the generalization of our approach to the O(n) model. (C) 2014 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/3.0/). Funded by SCOAP(3). C1 [Vasseur, Romain] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Vasseur, Romain] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Jacobsen, Jesper Lykke] LPTENS, F-75231 Paris, France. [Jacobsen, Jesper Lykke] Univ Paris 06, F-75252 Paris, France. RP Vasseur, R (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM rvasseur@berkeley.edu OI Jacobsen, Jesper Lykke/0000-0002-7615-2874 FU French Agence Nationale pour la Recherche (ANR); Quantum Materials program of LBNL; Institut Universitaire de France FX This work was supported by the French Agence Nationale pour la Recherche (ANR Projet 2010 Blanc SIMI 4: DIME), the Quantum Materials program of LBNL (RV), and the Institut Universitaire de France (JLJ). We warmly thank Hubert Saleur for collaboration on the related paper [29] which led to the present study. We also thank John Cardy, Raoul Santachiara and Jacopo Viti for discussions. NR 73 TC 5 Z9 5 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0550-3213 EI 1873-1562 J9 NUCL PHYS B JI Nucl. Phys. B PD MAR PY 2014 VL 880 BP 435 EP 475 DI 10.1016/j.nuclphysb.2014.01.013 PG 41 WC Physics, Particles & Fields SC Physics GA AC8RS UT WOS:000332803100017 ER PT J AU Martinez-Moyano, IJ McCaffrey, DP Oliva, R AF Martinez-Moyano, Ignacio J. McCaffrey, David P. Oliva, Rogelio TI Drift and Adjustment in Organizational Rule Compliance: Explaining the "Regulatory Pendulum" in Financial Markets SO ORGANIZATION SCIENCE LA English DT Article DE rule change; rule compliance; internal and external regulation; standards erosion; complex systems analysis; qualitative analysis; organizational processes; financial markets; system dynamics ID HIGH-RELIABILITY ORGANIZATION; CORPORATE ILLEGALITY; PROCESS IMPROVEMENT; SERVICE INDUSTRY/; RISK-MANAGEMENT; DYNAMICS; MODEL; CORRUPTION; PROGRAMS; QUALITY AB This article integrates research on rule development, compliance, and organizational change to model rule development and compliance in organizations, using causal-loop modeling from system dynamics to articulate explicitly a few key underlying processes. We focus on financial markets as a case area, suggesting that recurring regulatory problems in financial markets in the United States over the past 60 years, although differing in specifics, are structurally similar. At the heart of the model is the tension between production goals that focus on short-term, certain, salient benefits and required adherence to production-constraining rules that attempt to mitigate long-term, uncertain, nonsalient risks. It describes systemically how organizations attend to rules depending on the nature of the benefits of production compared with those of rule compliance. The model captures the operative mechanisms responsible for the development of pressures for production and for rule compliance in organizations, providing a structural explanation both for problem-prone organizations characterized by erosion of standards and increased violations and for organizations following rules more reliably. Drawing on studies of institutional work, we conclude by suggesting research on how agency, through strategic and tactical choice, potentially modifies structure in rule compliance. C1 [Martinez-Moyano, Ignacio J.] Argonne Natl Lab, Decis & Informat Sci Div, Argonne, IL 60439 USA. [Martinez-Moyano, Ignacio J.] Univ Chicago, Computat Inst, Chicago, IL 60637 USA. [McCaffrey, David P.] SUNY Albany, Albany, NY 12222 USA. [Oliva, Rogelio] Texas A&M Univ, Mays Business Sch, College Stn, TX 77843 USA. RP Martinez-Moyano, IJ (reprint author), Argonne Natl Lab, Decis & Informat Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM imartinez@anl.gov; dmccaffrey@albany.edu; roliva@tamu.edu RI Oliva, Rogelio/A-8542-2008 OI Oliva, Rogelio/0000-0001-7716-1310 NR 155 TC 3 Z9 3 U1 5 U2 57 PU INFORMS PI CATONSVILLE PA 5521 RESEARCH PARK DR, SUITE 200, CATONSVILLE, MD 21228 USA SN 1047-7039 J9 ORGAN SCI JI Organ Sci. PD MAR-APR PY 2014 VL 25 IS 2 BP 321 EP 338 DI 10.1287/orsc.2013.0847 PG 18 WC Management SC Business & Economics GA AC9FO UT WOS:000332840000001 ER PT J AU Kelly, TD Petrosky, JC Turner, D McClory, JW Mann, JM Kolis, JW Zhang, X Dowben, PA AF Kelly, T. D. Petrosky, J. C. Turner, D. McClory, J. W. Mann, J. M. Kolis, J. W. Zhang, Xin Dowben, P. A. TI The unoccupied electronic structure characterization of hydrothermally grown ThO 2 single crystals SO PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS LA English DT Article DE electronic properties; ThO2; photoemission; inverse photoemission; X-ray absorption near edge spectroscopy ID GROUND-STATE PROPERTIES; NEAR-EDGE STRUCTURE; MOLECULAR ICOSAHEDRA; DIOXIDES; FILMS AB Single crystals of thorium dioxide ThO2, grown by the hydrothermal growth technique, have been investigated by ultraviolet photoemission spectroscopy (UPS), inverse photoemission spectroscopy (IPES), and L-3, M-3, M-4, and M-5 X-ray absorption near edge spectroscopy (XANES). The experimental band gap for large single crystals has been determined to be 6 eV to 7 eV, from UPS and IPES, in line with expectations. The combined UPS and IPES, place the Fermi level near the conduction band minimum, making these crystals n-type, with extensive band tailing, suggesting an optical gap in the region of 4.8 eV for excitations from occupied to unoccupied edge states. Hybridization between the Th 6d/5f bands with O 2p is strongly implicated. ((c) 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) C1 [Kelly, T. D.; Petrosky, J. C.; McClory, J. W.] Air Force Inst Technol, Dept Engn Phys, Wright Patterson AFB, OH 45433 USA. [Turner, D.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37830 USA. [Mann, J. M.] Air Force Res Lab, Sensors Directorate, Wright Patterson AFB, OH 45433 USA. [Kolis, J. W.] Clemson Univ, Dept Chem, Clemson, SC 29634 USA. [Kolis, J. W.] Clemson Univ, Ctr Opt Mat Sci & Engn Technol, Clemson, SC 29634 USA. [Zhang, Xin; Dowben, P. A.] Univ Nebraska, Dept Phys & Astron, Lincoln, NE 68588 USA. RP Kelly, TD (reprint author), Air Force Inst Technol, Dept Engn Phys, 2950 Hobson Way, Wright Patterson AFB, OH 45433 USA. EM Tony.Kelly@afit.edu; James.Petrosky@afit.edu RI Zhang, Xin/J-5478-2015; OI Zhang, Xin/0000-0001-9232-427X; McClory, John/0000-0002-4303-2729 FU Defense Threat Reduction Agency [HDTRA138584]; Nebraska Materials Research Science and Engineering Center (NSF) [DMR-0820521] FX This work was supported by the Defense Threat Reduction Agency (Grant No. HDTRA138584) and the Nebraska Materials Research Science and Engineering Center (NSF - DMR-0820521). The views expressed in this article are those of the authors and do not reflect the official policy or position of the Air Force, Department of Defense or the U.S. Government. NR 26 TC 7 Z9 7 U1 6 U2 32 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1862-6254 EI 1862-6270 J9 PHYS STATUS SOLIDI-R JI Phys. Status Solidi-Rapid Res. Lett. PD MAR PY 2014 VL 8 IS 3 BP 283 EP 286 DI 10.1002/pssr.201308286 PG 4 WC Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA AD0MO UT WOS:000332928600016 ER PT J AU Xiang, CX Haber, J Marcin, M Mitrovic, S Jin, J Gregoire, JM AF Xiang, Chengxiang Haber, Joel Marcin, Martin Mitrovic, Slobodan Jin, Jian Gregoire, John M. TI Mapping Quantum Yield for (Fe-Zn-Sn-Ti)O-x Photoabsorbers Using a High Throughput Photoelectrochemical Screening System SO ACS COMBINATORIAL SCIENCE LA English DT Article DE photoelectrochemistry; metal oxides; semiconductor liquid junction; quantum yield ID SCANNING ELECTROCHEMICAL MICROSCOPY; JUNCTION SOLAR-CELL; METAL-OXIDES; WATER; PHOTOCATALYSTS; FILMS; TECHNOLOGIES; SILICON; DESIGN; BIVO4 AB Combinatorial synthesis and screening of light absorbers are critical to material discoveries for photovoltaic and photoelectrochemical applications. One of the most effective ways to evaluate the energy-conversion properties of a semiconducting light absorber is to form an asymmetric junction and investigate the photogeneration, transport and recombination processes at the semiconductor interface. This standard photoelectrochemical measurement is readily made on a semiconductor sample with a back-side metallic contact (working electrode) and front-side solution contact. In a typical combinatorial material library, each sample shares a common back contact, requiring novel instrumentation to provide spatially resolved and thus sample-resolved measurements. We developed a multiplexing counter electrode with a thin layer assembly, in which a rectifying semiconductor/liquid junction was formed and the short-circuit photocurrent was measured under chopped illumination for each sample in a material library. The multiplexing counter electrode assembly demonstrated a photocurrent sensitivity of sub-10 mu A cm(-2) with an external quantum yield sensitivity of 0.5% for each semiconductor sample under a monochromatic ultraviolet illumination source. The combination of cell architecture and multiplexing allows high-throughput modes of operation, including both fast-serial and parallel measurements. To demonstrate the performance of the instrument, the external quantum yields of 1819 different compositions from a pseudoquaternary metal oxide library, (Fe-Zn-Sn-Ti)O-x, at 385 nm were collected in scanning serial mode with a throughput of as fast as 1 s per sample. Preliminary screening results identified a promising ternary composition region centered at Fe0.894Sn0.103Ti0.0034Ox) with an external quantum yield of 6.7% at 385 nm. C1 [Xiang, Chengxiang; Haber, Joel; Marcin, Martin; Mitrovic, Slobodan; Jin, Jian; Gregoire, John M.] CALTECH, Joint Ctr Artificial Photosynth, Pasadena, CA 91125 USA. [Jin, Jian] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Engn, Berkeley, CA 94720 USA. RP Xiang, CX (reprint author), CALTECH, Joint Ctr Artificial Photosynth, Pasadena, CA 91125 USA. EM cxx@caltech.edu; gregoire@caltech.edu RI Mitrovic, Slobodan/E-7847-2010 OI Mitrovic, Slobodan/0000-0001-8913-8505 FU Office of Science of the U.S. Department of Energy [DE-SC000499] FX This material is based upon work performed by the Joint Center for Artificial Photosynthesis, a DOE Energy Innovation Hub, supported through the Office of Science of the U.S. Department of Energy under Award Number DE-SC000499. We gratefully acknowledge critical support and infrastructure provided for this work by the Kavli Nanoscience Institute at Caltech. NR 32 TC 8 Z9 8 U1 2 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2156-8952 EI 2156-8944 J9 ACS COMB SCI JI ACS Comb. Sci. PD MAR PY 2014 VL 16 IS 3 BP 120 EP 127 DI 10.1021/co400081w PG 8 WC Chemistry, Applied; Chemistry, Medicinal; Chemistry, Multidisciplinary SC Chemistry; Pharmacology & Pharmacy GA AC8AR UT WOS:000332755900004 PM 24471712 ER PT J AU Gao, L Kim, Y Vazquez-Guardado, A Shigeta, K Hartanto, S Franklin, D Progler, CJ Bogart, GR Rogers, JA Chanda, D AF Gao, Li Kim, Youngmin Vazquez-Guardado, Abraham Shigeta, Kazuki Hartanto, Steven Franklin, Daniel Progler, Christopher J. Bogart, Gregory R. Rogers, John A. Chanda, Debashis TI Materials Selections and Growth Conditions for Large-Area, Multilayered, Visible Negative Index Metamaterials Formed by Nanotransfer Printing SO ADVANCED OPTICAL MATERIALS LA English DT Article ID THIN-FILMS; WAVELENGTHS; FABRICATION; DEPOSITION C1 [Gao, Li; Kim, Youngmin; Shigeta, Kazuki; Hartanto, Steven; Rogers, John A.] Univ Illinois, Beckman Inst Adv Sci & Technol, Frederick Seitz Mat Res Lab, Dept Mat Sci & Engn, Urbana, IL 61801 USA. [Bogart, Gregory R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Progler, Christopher J.] Photronics Inc, Allen, TX 75013 USA. [Vazquez-Guardado, Abraham; Franklin, Daniel; Chanda, Debashis] Univ Cent Florida, NanoSci Technol Ctr, Orlando, FL 32826 USA. [Vazquez-Guardado, Abraham; Franklin, Daniel; Chanda, Debashis] Univ Cent Florida, Coll Opt & Photon CREOL, Orlando, FL 32826 USA. RP Rogers, JA (reprint author), Univ Illinois, Beckman Inst Adv Sci & Technol, Frederick Seitz Mat Res Lab, Dept Mat Sci & Engn, Urbana, IL 61801 USA. EM jrogers@illinois.edu; debashis.chanda@creol.ucf.edu RI Rogers, John /L-2798-2016; OI Vazquez-Guardado, Abraham/0000-0002-0648-5921 FU Office of Naval Research; United States Department of Energy [DE-AC04-94AL85000] FX L. Gao and Y. Kim contributed equally to this work. The work was supported by a grant from the Office of Naval Research. We also gratefully knowledge the contribution of Sandia National Laboratory which is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DE-AC04-94AL85000 in fabricating large area master mask using deep UV lithography (telecom) and electron beam lithography (visible). NR 24 TC 4 Z9 5 U1 2 U2 31 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 2195-1071 J9 ADV OPT MATER JI Adv. Opt. Mater. PD MAR PY 2014 VL 2 IS 3 BP 256 EP 261 DI 10.1002/adom.201300356 PG 6 WC Materials Science, Multidisciplinary; Optics SC Materials Science; Optics GA AC7VR UT WOS:000332741400010 ER PT J AU Seal, K Rodriguez, BJ Ivanov, IN Kalinin, SV AF Seal, Katyayani Rodriguez, Brian J. Ivanov, Ilia N. Kalinin, Sergei V. TI Anomalous Photodeposition of Ag on Ferroelectric Surfaces with Below-Bandgap Excitation SO ADVANCED OPTICAL MATERIALS LA English DT Article ID INCOHERENT WHITE-LIGHT; LITHIUM-NIOBATE; 2ND-HARMONIC GENERATION; SPATIAL SOLITONS; BARIUM-TITANATE; NANOSTRUCTURES; SILVER; CRYSTAL; MEDIA; POLARIZATION AB Ferroelectric lithography, a recent method of fabricating functional interfaces, traditionally involves photoreduction on polarized ferroelectric surfaces at optical energies above the bandgap of the ferroelectric. In this work, for the first time, photochemical deposition of elemental Ag nanoparticles on a specifically poled lithium niobate substrate is reported, with a broad white-light spectrum transmitted through the crystal. The transmitted light has energies only below the bandgap, leading to the conclusion that the Ag reduction proceeds through non-linear effects, specifically, second harmonic generation. C1 [Seal, Katyayani] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Rodriguez, Brian J.] Univ Coll Dublin, Sch Phys, Dublin 4, Ireland. [Ivanov, Ilia N.; Kalinin, Sergei V.] Oak Ridge Natl Lab, Ctr Nanophase Mat, Oak Ridge, TN 37831 USA. RP Seal, K (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. EM sealk@ornl.gov RI ivanov, ilia/D-3402-2015; Kalinin, Sergei/I-9096-2012 OI ivanov, ilia/0000-0002-6726-2502; Kalinin, Sergei/0000-0001-5354-6152 FU US DOE, Office of Basic Energy Sciences, Materials Sciences and Engineering Division; Oak Ridge National Laboratory by the Scientific User Facilities Division, US DOE FX This effort was supported by the US DOE, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, (K. S.) and performed, in part, at the Center for Nanophase Materials Sciences (S. V. K., I.N.I), which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, US DOE. The authors would like to thank Liam Collins for help with the manuscript. NR 48 TC 1 Z9 1 U1 0 U2 38 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 2195-1071 J9 ADV OPT MATER JI Adv. Opt. Mater. PD MAR PY 2014 VL 2 IS 3 BP 292 EP 299 DI 10.1002/adom.201300380 PG 8 WC Materials Science, Multidisciplinary; Optics SC Materials Science; Optics GA AC7VR UT WOS:000332741400016 ER PT J AU Duan, YH Zhang, KL Li, XHS King, DL Li, BY Zhao, LF Xiao, YH AF Duan, Yuhua Zhang, Keling Li, Xiaohong S. King, David L. Li, Bingyun Zhao, Lifeng Xiao, Yunhan TI ab initio Thermodynamic Study of the CO2 Capture Properties of M2CO3 (M = Na, K)- and CaCO3-Promoted MgO Sorbents Towards Forming Double Salts SO AEROSOL AND AIR QUALITY RESEARCH LA English DT Article DE CO2 capture sorbents; Double salt sorbents; Density functional theory; Lattice phonon dynamics; Thermodynamics ID CARBON CAPTURE; REMOVAL; SEQUESTRATION; TEMPERATURES; DOLOMITE; DYNAMICS; SYSTEMS; ENERGY; K2CO3 AB The CO2 capture properties of M2CO3 (M = Na, K)-promoted and CaCO3-promoted MgO sorbents are investigated by first-principles density functional theory complemented with lattice phonon calculations. The calculated thermodynamic properties indicate that by forming double salts (M2Mg(CO3)(2) and CaMg(CO3)(2)), compared to pure MgO, the maximum allowable CO2 capture temperatures of the M2CO3- and CaCO3- modified MgO sorbents are shifted to higher temperature ranges. Under pre-combustion conditions with PCO2 = 10 bar, the Na2CO3-promoted and CaCO3-promoted MgO sorbents can capture CO2 at temperatures as high as 915 K and 740 K respectively. While under post-combustion conditions with PCO2 = 0.1 bar, their maximum allowable CO2 capture temperatures are 710 K and 600 K respectively. However, when adding K2CO3 into MgO, under both pre-and post-combustion conditions, its maximum CO2 capture temperatures only increased about 10 K relative to pure MgO. These results indicate that by mixing another solid into MgO, it is possible to shift its CO2 capture temperature to fit practical industrial needs. C1 [Duan, Yuhua; Li, Bingyun] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Zhang, Keling; Li, Xiaohong S.; King, David L.] Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99354 USA. [Li, Bingyun] W Virginia Univ, Sch Med, Morgantown, WV 26506 USA. [Zhao, Lifeng; Xiao, Yunhan] Chinese Acad Sci, Inst Engn Thermophys, Key Lab Adv Energy & Power, Beijing 100190, Peoples R China. RP Duan, YH (reprint author), US DOE, Natl Energy Technol Lab, 236 Cochrans Mill Rd, Pittsburgh, PA 15236 USA. EM yuhua.duan@netl.doe.gov RI Duan, Yuhua/D-6072-2011 OI Duan, Yuhua/0000-0001-7447-0142 NR 38 TC 10 Z9 10 U1 3 U2 37 PU TAIWAN ASSOC AEROSOL RES-TAAR PI TAICHUNG COUNTY PA CHAOYANG UNIV TECH, DEPT ENV ENG & MGMT, PROD CTR AAQR, NO 168, JIFONG E RD, WUFONG TOWNSHIP, TAICHUNG COUNTY, 41349, TAIWAN SN 1680-8584 EI 2071-1409 J9 AEROSOL AIR QUAL RES JI Aerosol Air Qual. Res. PD MAR PY 2014 VL 14 IS 2 BP 470 EP 479 DI 10.4209/aaqr.2013.05.0178 PG 10 WC Environmental Sciences SC Environmental Sciences & Ecology GA AC7CW UT WOS:000332685800003 ER PT J AU Soong, Y Howard, BH Hedges, SW Haljasmaa, I Warzinski, RP Irdi, G McLendon, TR AF Soong, Yee Howard, Bret H. Hedges, Sheila W. Haljasmaa, Igor Warzinski, Robert P. Irdi, Gino McLendon, Thomas R. TI CO2 Sequestration in Saline Formation SO AEROSOL AND AIR QUALITY RESEARCH LA English DT Article DE CO2 sequestration; Mount Simon sandstone; Chemical interaction; Permeability; Saline aquifer ID CARBON-DIOXIDE; DISSOLUTION; PERMEABILITY; AQUIFERS; STORAGE AB Deep saline aquifers are reported to have the largest estimated capacity for CO2 sequestration. Knowledge of possible geochemically-induced changes to the porosity and permeability of host CO2 storage sandstone and seal rock will enhance our capability to predict CO2 storage capacity and long-term reservoir behavior. An experimental study of the potential interaction of CO2/brine/rock on saline formations in a static system under CO2 sequestration conditions was conducted. Chemical interactions in the Mount Simon sandstone environment upon exposure to CO2 mixed with brine under sequestration conditions were studied. Samples were exposed to the estimated in-situ reaction conditions for six months. The experimental parameters used were two core samples of Mount Simon sandstone; Illinois Basin model brine; temperature of 85 degrees C, pressure of 23.8 MPa (3,500 psig), and CO2. Micro-CT, CT, XRD, SEM, petrography, and brine, porosity, and permeability analyses were performed before and after the exposure. Preliminary permeability measurements obtained from the sandstone sample showed a significant change after it was exposed to CO2 saturated brine for six months. This observation suggests that mineral dissolution and mineral precipitation could occur in the host deposit altering its characteristics for CO2 storage over time. C1 [Soong, Yee; Howard, Bret H.; Hedges, Sheila W.; Haljasmaa, Igor; Warzinski, Robert P.; Irdi, Gino; McLendon, Thomas R.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Soong, Y (reprint author), US DOE, Natl Energy Technol Lab, POB 10940, Pittsburgh, PA 15236 USA. EM soong@netl.doe.gov NR 19 TC 6 Z9 6 U1 0 U2 18 PU TAIWAN ASSOC AEROSOL RES-TAAR PI TAICHUNG COUNTY PA CHAOYANG UNIV TECH, DEPT ENV ENG & MGMT, PROD CTR AAQR, NO 168, JIFONG E RD, WUFONG TOWNSHIP, TAICHUNG COUNTY, 41349, TAIWAN SN 1680-8584 EI 2071-1409 J9 AEROSOL AIR QUAL RES JI Aerosol Air Qual. Res. PD MAR PY 2014 VL 14 IS 2 BP 522 EP 532 DI 10.4209/aaqr.2013.06.0195 PG 11 WC Environmental Sciences SC Environmental Sciences & Ecology GA AC7CW UT WOS:000332685800007 ER PT J AU Sinnott, SB Uberuaga, BP AF Sinnott, Susan B. Uberuaga, Bias Pedro TI Role of atomistic simulations in understanding fission product accommodation in ceramic nuclear fuel SO AMERICAN CERAMIC SOCIETY BULLETIN LA English DT Article ID URANIUM-DIOXIDE C1 [Sinnott, Susan B.] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. [Uberuaga, Bias Pedro] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RI Sinnott, Susan/P-8523-2014 OI Sinnott, Susan/0000-0002-3598-0403 NR 9 TC 0 Z9 0 U1 0 U2 17 PU AMER CERAMIC SOC PI WESTERVILLE PA 600 N CLEVELAND AVE, WESTERVILLE, OH 43082 USA SN 0002-7812 EI 1945-2705 J9 AM CERAM SOC BULL JI Am. Ceram. Soc. Bull. PD MAR PY 2014 VL 93 IS 2 BP 28 EP 32 PG 5 WC Materials Science, Ceramics SC Materials Science GA AC4LS UT WOS:000332493400009 ER PT J AU Krebs, JE Vaishampayan, P Probst, AJ Tom, LM Marteinsson, VT Andersen, GL Venkateswaran, K AF Krebs, Jordan E. Vaishampayan, Parag Probst, Alexander J. Tom, Lauren M. Marteinsson, Viggo Thor Andersen, Gary L. Venkateswaran, Kasthuri TI Microbial Community Structures of Novel Icelandic Hot Spring Systems Revealed by PhyloChip G3 Analysis SO ASTROBIOLOGY LA English DT Article ID 16S RIBOSOMAL-RNA; YELLOWSTONE-NATIONAL-PARK; AMMONIA OXIDIZING ARCHAEON; SULFOLOBUS-ACIDOCALDARIUS; BACTERIAL DIVERSITY; GEOTHERMAL AREAS; ELEMENTAL SULFUR; SP-NOV; TEMPERATURE; LIFE AB Microbial community profiles of recently formed hot spring systems ranging in temperatures from 57 degrees C to 100 degrees C and pH values from 2 to 4 in Hverageroi (Iceland) were analyzed with PhyloChip G3 technology. In total, 1173 bacterial operational taxonomic units (OTUs) spanning 576 subfamilies and 38 archaeal OTUs covering 32 subfamilies were observed. As expected, the hyperthermophilic (similar to 100 degrees C) spring system exhibited both low microbial biomass and diversity when compared to thermophilic (similar to 60 degrees C) springs. Ordination analysis revealed distinct bacterial and archaeal diversity in geographically distinct hot springs. Slight variations in temperature (from 57 degrees C to 64 degrees C) within the interconnected pools led to a marked fluctuation in microbial abundance and diversity. Correlation and PERMANOVA tests provided evidence that temperature was the key environmental factor responsible for microbial community dynamics, while pH, H2S, and SO2 influenced the abundance of specific microbial groups. When archaeal community composition was analyzed, the majority of detected OTUs correlated negatively with temperature, and few correlated positively with pH. Key Words: Microbial diversity-PhyloChip G3-Acidophilic-Thermophilic-Hot springs-Iceland. Astrobiology 14, 229-240. C1 [Krebs, Jordan E.; Vaishampayan, Parag; Venkateswaran, Kasthuri] CALTECH, Jet Prop Lab, Biotechnol & Planetary Protect Grp, Pasadena, CA 91109 USA. [Probst, Alexander J.] Univ Regensburg, Inst Microbiol, D-93053 Regensburg, Germany. [Probst, Alexander J.] Univ Regensburg, Archaea Ctr, D-93053 Regensburg, Germany. [Tom, Lauren M.; Andersen, Gary L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Ecol, Div Earth Sci, Berkeley, CA 94720 USA. [Marteinsson, Viggo Thor] Matis Ohf Food Safety Environm & Genet, Reykjavik, Iceland. RP Vaishampayan, P (reprint author), CALTECH, Jet Prop Lab, Biotechnol & Planetary Protect Grp, M-S 89-108,4800 Oak Grove Dr, Pasadena, CA 91109 USA. EM vaishamp@jpl.nasa.gov RI Tom, Lauren/E-9739-2015; Andersen, Gary/G-2792-2015; Probst, Alexander/K-2813-2016 OI Andersen, Gary/0000-0002-1618-9827; FU National Aeronautics and Space Administration; German National Academic Foundation (Studienstiftung des deutschen Volkes); Caltech Amgen Scholars Fellowship; European Commission FX Part of the research described in this study was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under contract with the National Aeronautics and Space Administration. A. Probst's contribution was supported by the German National Academic Foundation (Studienstiftung des deutschen Volkes). J. Krebs's participation was funded by a Caltech Amgen Scholars Fellowship awarded in 2011. The authors are grateful to the Co-ordination Action for Research Activities on life in Extreme Environments (CAREX) project funded by the European Commission. A special thanks to N. Walter, European Science Federation, for supporting P. Vaishampayan's travel to Iceland. We are also thankful to all the participants for their assistance in the Icelandic CAREX fieldwork. NR 66 TC 0 Z9 0 U1 0 U2 20 PU MARY ANN LIEBERT, INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 1531-1074 EI 1557-8070 J9 ASTROBIOLOGY JI Astrobiology PD MAR 1 PY 2014 VL 14 IS 3 BP 229 EP 240 DI 10.1089/ast.2013.1008 PG 12 WC Astronomy & Astrophysics; Biology; Geosciences, Multidisciplinary SC Astronomy & Astrophysics; Life Sciences & Biomedicine - Other Topics; Geology GA AC6GE UT WOS:000332618700003 PM 24588539 ER PT J AU An, H Kaspi, VM Archibald, R Bachetti, M Bhalerao, V Bellm, EC Beloborodov, AM Boggs, SE Chakrabarty, D Christensen, FE Craig, WW Dufour, F Forster, K Gotthelf, EV Grefenstette, BW Hailey, CJ Harrison, FA Hascoet, R Kitaguchi, T Kouveliotou, C Madsen, KK Mori, K Pivovaroff, MJ Rana, VR Stern, D Tendulkar, S Tomsick, JA Vogel, JK Zhang, WW AF An, H. Kaspi, V. M. Archibald, R. Bachetti, M. Bhalerao, V. Bellm, E. C. Beloborodov, A. M. Boggs, S. E. Chakrabarty, D. Christensen, F. E. Craig, W. W. Dufour, F. Forster, K. Gotthelf, E. V. Grefenstette, B. W. Hailey, C. J. Harrison, F. A. Hascoet, R. Kitaguchi, T. Kouveliotou, Ch. Madsen, K. K. Mori, K. Pivovaroff, M. J. Rana, V. R. Stern, D. Tendulkar, S. Tomsick, J. A. Vogel, J. K. Zhang, W. W. CA NuSTAR Team TI NuSTAR results and future plans for magnetar and rotation-powered pulsar observations SO ASTRONOMISCHE NACHRICHTEN LA English DT Article; Proceedings Paper CT XMM Newton Conference CY MAY 22-24, 2013 CL Madrid, SPAIN DE space vehicles; stars: neutron; telescopes; X-rays: stars ID X-RAY PULSARS; SOFT GAMMA-REPEATERS; NEUTRON-STARS; WHITE-DWARF; 1E 1841-045; AE AQUARII; DISCOVERY; PULSATIONS; EMISSION AB The Nuclear Spectroscopic Telescope Array (NuSTAR) is the first focusing hard X-ray mission in orbit and operates in the 3-79 keV range. NuSTAR's sensitivity is roughly two orders of magnitude better than previous missions in this energy band thanks to its superb angular resolution. Since its launch in 2012 June, NuSTAR has performed excellently and observed many interesting sources including four magnetars, two rotation-powered pulsars and the cataclysmic variable AE Aquarii. NuSTAR also discovered 3.76-s pulsations from the transient source SGR J1745-29 recently found by Swift very close to the Galactic center, clearly identifying the source as a transient magnetar. For magnetar 1E 1841-045, we show that the spectrum is well fit by an absorbed blackbody plus broken power-law model with a hard power-law photon index of approximate to 1.3. This is consistent with previous results by INTEGRAL and RXTE. We also find an interesting double-peaked pulse profile in the 25-35 keV band. For AE Aquarii, we show that the spectrum can be described by a multi-temperature thermal model or a thermal plus non-thermal model; a multi-temperature thermal model without a non-thermal component cannot be ruled out. Furthermore, we do not see a spiky pulse profile in the hard X-ray band, as previously reported based on Suzaku observations. For other magnetars and rotation-powered pulsars observed with NuSTAR, data analysis results will be soon available. ((c) 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) C1 [An, H.; Kaspi, V. M.; Archibald, R.; Dufour, F.] McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. [Bachetti, M.] Univ Toulouse, UPS OMP, IRAP, Toulouse, France. [Bachetti, M.] CNRS, Inst Rech Astrophys & Planetol, F-31028 Toulouse 4, France. [Bhalerao, V.; Bellm, E. C.; Forster, K.; Grefenstette, B. W.; Harrison, F. A.; Madsen, K. K.; Rana, V. R.; Tendulkar, S.] CALTECH, Cahill Ctr Astron & Astrophys, Pasadena, CA 91125 USA. [Bhalerao, V.] Interuniv Ctr Astron & Astrophys, Pune 411007, Maharashtra, India. [Beloborodov, A. M.; Gotthelf, E. V.; Hailey, C. J.; Hascoet, R.; Mori, K.] Columbia Univ, Columbia Astrophys Lab, New York, NY 10027 USA. [Boggs, S. E.; Craig, W. W.; Tomsick, J. A.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Chakrabarty, D.] MIT, Kavli Inst Astrophys & Space Res, Cambridge, MA 02139 USA. [Christensen, F. E.] Tech Univ Denmark, Natl Space Inst, DTU Space, DK-2800 Lyngby, Denmark. [Craig, W. W.; Pivovaroff, M. J.; Vogel, J. K.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Kitaguchi, T.] RIKEN, Wako, Saitama 3510198, Japan. [Kouveliotou, Ch.] NASA, George C Marshall Space Flight Ctr, Space Sci Off, ZP12, Huntsville, AL 35812 USA. [Stern, D.] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Zhang, W. W.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RP An, H (reprint author), McGill Univ, Dept Phys, 3600 Univ St, Montreal, PQ H3A 2T8, Canada. EM hjan@physics.mcgill.ca RI Pivovaroff, Michael/M-7998-2014; Boggs, Steven/E-4170-2015; OI Pivovaroff, Michael/0000-0001-6780-6816; Boggs, Steven/0000-0001-9567-4224; Bachetti, Matteo/0000-0002-4576-9337; Bhalerao, Varun/0000-0002-6112-7609 FU NASA [NNG08FD60C, NNX10AI72G, NNX13AI34G]; National Aeronautics and Space Administration; NSERC; FQRNT Centre de Recherche Astrophysique du Quebec; R. Howard Webster Foundation Fellowship from the Canadian Institute for Advanced Research (CIFAR); Canada Research Chairs Program; Lorne Trottier Chair in Astrophysics and Cosmology; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was supported under NASA Contract No. NNG08FD60C, and made use of data from the NuSTAR mission, a project led by the California Institute of Technology, managed by the Jet Propulsion Laboratory, and funded by the National Aeronautics and Space Administration. We thank the NuSTAR Operations, Software and Calibration teams for support with the execution and analysis of these observations. This research has made use of the NuSTAR Data Analysis Software (NuSTARDAS) jointly developed by the ASI Science Data Center (ASDC, Italy) and the California Institute of Technology (USA). V. M. K. acknowledges support from an NSERC Discovery Grant, the FQRNT Centre de Recherche Astrophysique du Quebec, an R. Howard Webster Foundation Fellowship from the Canadian Institute for Advanced Research (CIFAR), the Canada Research Chairs Program and the Lorne Trottier Chair in Astrophysics and Cosmology. A. M. B. acknowledges the support by NASA grants NNX10AI72G and NNX13AI34G. Part of this work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 29 TC 2 Z9 2 U1 0 U2 5 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0004-6337 EI 1521-3994 J9 ASTRON NACHR JI Astro. Nachr. PD MAR PY 2014 VL 335 IS 3 BP 280 EP 284 DI 10.1002/asna.201312032 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AC2MG UT WOS:000332334600011 ER PT J AU Lupoi, JS Singh, S Simmons, BA Henry, RJ AF Lupoi, Jason S. Singh, Seema Simmons, Blake A. Henry, Robert J. TI Assessment of Lignocellulosic Biomass Using Analytical Spectroscopy: an Evolution to High-Throughput Techniques SO BIOENERGY RESEARCH LA English DT Article DE Biomass; Spectroscopy; Raman spectroscopy; Near-infrared spectroscopy; Fourier transform infrared spectroscopy; High-throughput; Chemometrics ID FOURIER-TRANSFORM RAMAN; NEAR-INFRARED SPECTROSCOPY; EUCALYPTUS-GLOBULUS WOOD; IONIC LIQUID PRETREATMENT; PLANT-CELL-WALLS; LIGNIN MONOMER COMPOSITION; CELLULOSE-I CRYSTALLINITY; CORN STOVER COMPOSITION; CUPRIC OXIDE OXIDATION; PINUS-SYLVESTRIS WOOD AB Lignocellulosic biomass has been proposed as an option for reducing global dependence on nonrenewable energy sources, such as oil. Selection and development of biomass feedstocks that efficiently yield the maximum fuel or biomaterial requires the availability of reliable methods for compositional and structural characterization of plant material. Many standard methods for biomass analysis are laborious and slow, and employ a variety of harsh reagents requiring some degree of remediation. The use of simpler and more rapid spectroscopic methods has proved invaluable in analyzing biomass. In the twenty-first century, researchers have employed techniques such as Raman, mid-infrared, and near-infrared spectroscopy for a wide range of applications in endeavors to further understand biofuel feedstocks. While many methods remain time consuming and expensive, a growing interest in high-throughput spectroscopic techniques has provided faster and larger scale feedstock screening for desirable traits. This review seeks to provide an overview of both high-throughput techniques and those requiring longer analysis times but still providing abundant qualitative and quantitative data. While applications of these instrumental methods have been researched for decades, more recent developments will be discussed here. C1 [Lupoi, Jason S.; Simmons, Blake A.; Henry, Robert J.] Univ Queensland, Queensland Alliance Agr & Food Innovat, St Lucia, Qld, Australia. [Lupoi, Jason S.; Singh, Seema; Simmons, Blake A.] Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Emeryville, CA 94608 USA. [Singh, Seema; Simmons, Blake A.] Sandia Natl Labs, Biol & Mat Sci Ctr, Livermore, CA 94551 USA. RP Lupoi, JS (reprint author), Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, 5885 Hollis St, Emeryville, CA 94608 USA. EM jslupoi@lbl.gov; seesing@sandia.gov; basimmons@lbl.gov; robert.henry@uq.edu.au RI Henry, Robert/B-5824-2008; OI Henry, Robert/0000-0002-4060-0292; Simmons, Blake/0000-0002-1332-1810 FU Queensland Alliance for Agriculture and Food Innovation; Joint BioEnergy Institute; Office of Science, Office of Biological and Environmental Research, of the US Department of Energy [DE-AC02-05CH11231] FX This review was supported as part of a collaboration between the Queensland Alliance for Agriculture and Food Innovation and the Joint BioEnergy Institute. The work conducted by the Joint BioEnergy Institute was supported by the Office of Science, Office of Biological and Environmental Research, of the US Department of Energy under contract no. DE-AC02-05CH11231. NR 282 TC 23 Z9 24 U1 1 U2 86 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1939-1234 EI 1939-1242 J9 BIOENERG RES JI BioEnergy Res. PD MAR PY 2014 VL 7 IS 1 BP 1 EP 23 DI 10.1007/s12155-013-9352-1 PG 23 WC Energy & Fuels; Environmental Sciences SC Energy & Fuels; Environmental Sciences & Ecology GA AC4IG UT WOS:000332484000001 ER PT J AU Johnson, JMF Gresham, GL AF Johnson, Jane M. F. Gresham, Garold L. TI Do Yield and Quality of Big Bluestem and Switchgrass Feedstock Decline over Winter? SO BIOENERGY RESEARCH LA English DT Article DE Thermochemical; Bioenergy feedstock; Mineral analysis; Biomass gasification ID BIOENERGY PRODUCTION; BIOMASS FEEDSTOCKS; GREAT-PLAINS; HARVEST; COMBUSTION; SYSTEMS; MANAGEMENT; MIXTURES; GRASSES; STORAGE AB Switchgrass (Panicum virgatum L.) and big bluestem (Andropogon gerdardii Vitman) are potential perennial bioenergy feedstocks. Feedstock storage limitations, labor constraints for harvest, and environmental benefits provided by perennials are rationales for developing localized perennial feedstock as an alternative or in conjunction with annual feedstocks (i.e., crop residues). Little information is available on yield, mineral, and thermochemical properties of native species as related to harvest time. The study's objectives were to compare the feedstock quantity and quality between grasses harvested in the fall or the following spring. It was hypothesized that biomass yield may decline, but translocation and/or leaching of minerals from the feedstock would improve feedstock quality. Feedstock yield did not differ by crop, harvest time, or their interactions. Both grasses averaged 6.0 Mg ha(-1) (fall) and 5.4 Mg ha(-1) (spring) with similar high heating value (17.7 MJ kg(-1)). The K/(Ca + Mg) ratio, used as a quality indicator declined to below a 0.5 threshold, but energy yield (Megajoule per kilogram) decreased 13 % by delaying harvest until spring. Only once during the four study-years were conditions ideal for early spring harvest, in contrast during another spring, very muddy conditions resulted in excessive soil contamination. Early spring harvest may be hampered by late snow, lodging, and muddy conditions that may delay or prevent harvest, and result in soil contamination of the feedstock. However, reducing slagging/fouling potential and the mass of mineral nutrients removed from the field without a dramatic loss in biomass or caloric content are reasons to delay harvest until spring. C1 [Johnson, Jane M. F.] USDA ARS, N Cent Soil Conservat Res Lab, Morris, MN 56267 USA. [Gresham, Garold L.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Johnson, JMF (reprint author), USDA ARS, N Cent Soil Conservat Res Lab, 803 Iowa Ave, Morris, MN 56267 USA. EM jane.johnson@ars.usda.gov OI Johnson, Jane/0000-0002-1687-4007 FU USDA-Agricultural Research Service under the Renewable Energy Assessment Project (REAP); USDA Rural Development Grant [68-3A75-5-232]; University of Minnesota, Morris; University of Minnesota-West Central Research and Outreach Center FX This publication is based on work supported by the USDA-Agricultural Research Service under the Renewable Energy Assessment Project (REAP) and through a USDA Rural Development Grant 68-3A75-5-232 in partnership with the University of Minnesota, Morris, and the University of Minnesota-West Central Research and Outreach Center. NR 45 TC 5 Z9 5 U1 1 U2 12 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1939-1234 EI 1939-1242 J9 BIOENERG RES JI BioEnergy Res. PD MAR PY 2014 VL 7 IS 1 BP 68 EP 77 DI 10.1007/s12155-013-9349-9 PG 10 WC Energy & Fuels; Environmental Sciences SC Energy & Fuels; Environmental Sciences & Ecology GA AC4IG UT WOS:000332484000006 ER PT J AU Azarpira, A Ralph, J Lu, FC AF Azarpira, Ali Ralph, John Lu, Fachuang TI Catalytic Alkaline Oxidation of Lignin and its Model Compounds: a Pathway to Aromatic Biochemicals SO BIOENERGY RESEARCH LA English DT Article DE Pine lignin; 2D NMR; Lignin beta-ether units; Copper-phenanthroline catalyst ID OXYGEN DELIGNIFICATION; GENERAL CONCEPT; KRAFT-LIGNIN; CHEMICALS; PULP; BIOSYNTHESIS; CHEMISTRY; ALCOHOL; BIOMASS AB Catalytic oxidation via the application of molecular oxygen and copper complexes is a useful pathway toward valuable low molecular mass compounds from in situ or waste stream lignins. In this study, two dimeric beta-ether model compounds, one beta-ether oligomer, and a milled wood lignin sample from Loblolly pine were catalytically oxidized. Yields and stability of the aromatic aldehyde and acid products were measured. Nuclear magnetic resonance spectroscopy and gel permeation chromatography were used to monitor structure/composition and molecular mass changes of the lignin before and after catalytic oxidation to study the degree of depolymerization and structure of the residual lignin. Oxidized units appear to be derived from beta-aryl ether, phenylcoumaran, and biphenyl ether components. To date, this method breaks down the lignin polymeric structure reasonably effectively, producing low molecular mass products; this work also highlights some of the issues that need to be overcome to optimize this approach. C1 [Azarpira, Ali; Ralph, John; Lu, Fachuang] Univ Wisconsin, Great Lakes Bioenergy Res Ctr, Wisconsin Energy Inst, Madison, WI 53726 USA. [Ralph, John; Lu, Fachuang] Univ Wisconsin, Dept Biochem, Madison, WI 53705 USA. RP Lu, FC (reprint author), Univ Wisconsin, Great Lakes Bioenergy Res Ctr, Wisconsin Energy Inst, 1552 Univ Ave, Madison, WI 53726 USA. EM fachuanglu@wisc.edu FU US Department of Energy's Great Lakes Bioenergy Research Center [DE-FC02-07ER64494] FX The authors gratefully acknowledge Ruili Gao, Dharshana Padmakshan, and Sally Ralph for providing model compounds for this study and Hoon Kim for his useful suggestions and assistance with NMR spectroscopy. We are grateful to Yuki Tobimatsu for his useful comments on GPC and NMR analyses. The authors gratefully acknowledge funding from the US Department of Energy's Great Lakes Bioenergy Research Center (DE-FC02-07ER64494). NR 32 TC 12 Z9 12 U1 9 U2 117 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1939-1234 EI 1939-1242 J9 BIOENERG RES JI BioEnergy Res. PD MAR PY 2014 VL 7 IS 1 BP 78 EP 86 DI 10.1007/s12155-013-9348-x PG 9 WC Energy & Fuels; Environmental Sciences SC Energy & Fuels; Environmental Sciences & Ecology GA AC4IG UT WOS:000332484000007 ER PT J AU Blume-Kohout, R Turner, PS AF Blume-Kohout, Robin Turner, Peter S. TI The Curious Nonexistence of Gaussian 2-Designs SO COMMUNICATIONS IN MATHEMATICAL PHYSICS LA English DT Article ID COMPLETE QUANTUM MEASUREMENTS; DESIGNS; STATES AB Ensembles of pure quantum states whose 2nd moments equal those of the unitarily uniform Haar ensemble-2-designs-are optimal solutions for several tasks in quantum information science, especially state and process tomography. We show that Gaussian states cannot form a 2-design for the continuous-variable (quantum optical) Hilbert space . This is surprising because the affine symplectic group HWSp (the natural symmetry group of Gaussian states) is irreducible on the symmetric subspace of two copies. In finite dimensional Hilbert spaces, irreducibility guarantees that HWSp-covariant ensembles (such as mutually unbiased bases in prime dimensions) are always 2-designs. This property is violated by continuous variables for a subtle reason: the (well-defined) HWSp-invariant ensemble of Gaussian states does not have a density matrix because its defining integral does not converge. In fact, no Gaussian ensemble is even close (in a precise sense) to being a 2-design. This surprising difference between discrete and continuous quantum mechanics has important implications for optical state and process tomography. C1 [Blume-Kohout, Robin] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Turner, Peter S.] Univ Tokyo, Grad Sch Sci, Dept Phys, Bunkyo Ku, Tokyo 1130033, Japan. RP Blume-Kohout, R (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA. EM robin@blumekohout.com RI Turner, Peter/E-9197-2010 FU JSPS Research Fellowships for Young Scientists, JSPS KAKENHI [20549002]; LANL's LDRD program FX The authors acknowledge useful discussions with S. Bartlett, A. Harrow, J. Repka, and D. Gross. P.S.T. acknowledges support from JSPS Research Fellowships for Young Scientists, JSPS KAKENHI (20549002) for Scientific Research (C). R.B.K. was supported by LANL's LDRD program. NR 26 TC 1 Z9 1 U1 0 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0010-3616 EI 1432-0916 J9 COMMUN MATH PHYS JI Commun. Math. Phys. PD MAR PY 2014 VL 326 IS 3 BP 755 EP 771 DI 10.1007/s00220-014-1894-3 PG 17 WC Physics, Mathematical SC Physics GA AC6TA UT WOS:000332656700005 ER PT J AU Wilkerson, J Larsen, P Barbose, G AF Wilkerson, Jordan Larsen, Peter Barbose, Galen TI Survey of Western US electric utility resource plans SO ENERGY POLICY LA English DT Article DE Resource planning; Electric utility; Risk and uncertainty ID MARKET AB We review long-term electric utility plans representing similar to 90% of generation within the Western U.S. and Canadian provinces. We address what utility planners assume about future growth of electricity demand and supply; what types of risk they consider in their long-term resource planning; and the consistency in which they report resource planning-related data. The region is anticipated to grow by 2% annually by 2020 - before Demand Side Management. About two-thirds of the utilities that provided an annual energy forecast also reported energy efficiency savings projections; in aggregate, they anticipate an average 6.4% reduction in energy and 8.6% reduction in peak demand by 2020. New natural gas-fired and renewable generation will replace retiring coal plants. Although some utilities anticipate new coal-fired plants, most are planning for steady growth in renewable generation over the next two decades. Most planned solar capacity will come online before 2020, with most wind expansion after 2020. Fuel mix is expected to remain 55% of total generation. Planners consider a wide range of risks but focus on future demand, fuel prices, and the possibility of GHG regulations. Data collection and reporting inconsistencies within and across electric utility resource plans lead to recommendations on policies to address this issue. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Wilkerson, Jordan; Larsen, Peter] Stanford Univ, Sch Engn, Management Sci & Engn Dept, Stanford, CA 94305 USA. [Larsen, Peter; Barbose, Galen] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Anal & Environm Impacts Dept, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Wilkerson, J (reprint author), Stanford Univ, Sch Engn, Management Sci & Engn Dept, Stanford, CA 94305 USA. EM wilkejt1@stanford.edu OI Wilkerson, Jordan/0000-0003-1447-9465 FU National Electricity Delivery Division of the U.S. Department of Energy's Office of Electricity (OE) Delivery and Energy Reliability under Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX The work described in this report was funded by the National Electricity Delivery Division of the U.S. Department of Energy's Office of Electricity (OE) Delivery and Energy Reliability under Lawrence Berkeley National Laboratory Contract no. DE-AC02-05CH11231. The authors would like to acknowledge Larry Mansueti (U.S. Department of Energy-OE) for supporting this project. NR 78 TC 4 Z9 4 U1 1 U2 13 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 EI 1873-6777 J9 ENERG POLICY JI Energy Policy PD MAR PY 2014 VL 66 BP 90 EP 103 DI 10.1016/j.enpol.2013.11.029 PG 14 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA AB9SL UT WOS:000332135900009 ER PT J AU Glynn, J Chiodi, A Gargiulo, M Deane, JP Bazilian, M Gallachor, BO AF Glynn, James Chiodi, Alessandro Gargiulo, Maurizio Deane, J. P. Bazilian, Morgan Gallachoir, Brian O. TI Energy Security Analysis: The case of constrained oil supply for Ireland SO ENERGY POLICY LA English DT Article DE Energy security; Oil depletion; Energy systems modelling ID POWER; MODEL AB Ireland imports 88% of its energy requirements. Oil makes up 59% of total final energy consumption (TFC). Import dependency, low fuel diversity and volatile prices leave Ireland vulnerable in terms of energy security. This work models energy security scenarios for Ireland using long term macroeconomic forecasts to 2050, with oil production and price scenarios from the International Monetary Fund, within the Irish TIMES energy systems model. The analysis focuses on developing a least cost optimum energy system for Ireland under scenarios of constrained oil supply (0.8% annual import growth, and 2% annual import decline) and subsequent sustained long term price shocks to oil and gas imports. The results point to gas becoming the dominant fuel source for Ireland, at 54% total final energy consumption in 2020, supplanting oil from reference projections of 57% to 10.8% TFC. In 2012, the cost of net oil imports stood at (sic)3.6 billion (2.26% GDP). The modelled high oil and gas price scenarios show an additional annual cost in comparison to a reference of between (sic)2.9bn and (sic)7.5bn by 2020 (1.9-4.9% of GDP) to choose to develop a least cost energy system. Investment and ramifications for energy security are discussed. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Glynn, James; Chiodi, Alessandro; Gargiulo, Maurizio; Deane, J. P.; Gallachoir, Brian O.] Natl Univ Ireland Univ Coll Cork, Environm Res Inst, Energy Policy & Modelling Grp, Cork, Ireland. [Glynn, James; Chiodi, Alessandro; Gargiulo, Maurizio; Deane, J. P.; Gallachoir, Brian O.] Natl Univ Ireland Univ Coll Cork, Dept Civil & Environm Engn, Cork, Ireland. [Gargiulo, Maurizio] E4sma Srl, Energy Engn Environm Syst Modelling & Anal Srl, I-10144 Turin, Italy. [Bazilian, Morgan] NREL, Joint Inst Strateg Energy Anal, Golden, CO 80401 USA. RP Glynn, J (reprint author), Natl Univ Ireland Univ Coll Cork, Environm Res Inst, Lee Rd, Cork, Ireland. EM james.glynn@umail.ucc.ie OI Chiodi, Alessandro/0000-0002-9757-5972; O Gallachoir, Brian/0000-0002-6608-5997 FU Higher Education Authority of Ireland through the PRTLI-5 Graduate Research Engineering Programme in Energy; Environmental Protection Agency; Sustainable Energy Authority of Ireland under Ireland's Climate Change Research Programme [2011 - CCRP - MS - 3.5] FX Supported by the Higher Education Authority of Ireland through the PRTLI-5 Graduate Research Engineering Programme in Energy.; The authors acknowledge funding provided by the Environmental Protection Agency and Sustainable Energy Authority of Ireland under Ireland's Climate Change Research Programme 2007-2013 for the development of the Irish TIMES model. (2011 - CCRP - MS - 3.5). NR 59 TC 4 Z9 4 U1 2 U2 15 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 EI 1873-6777 J9 ENERG POLICY JI Energy Policy PD MAR PY 2014 VL 66 BP 312 EP 325 DI 10.1016/j.enpol.2013.11.043 PG 14 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA AB9SL UT WOS:000332135900028 ER PT J AU Carew, JF AF Carew, John F. TI Variational Bounds in N-Particle Scattering Using the Faddeev-Yakubovskii Equations: Deuteron-Deuteron S=2 Scattering SO FEW-BODY SYSTEMS LA English DT Article ID CHARGED-PARTICLES; CLUSTER-REDUCTION; 3-BODY SYSTEMS; PHASE-SHIFTS; ENERGY; AMPLITUDES; FORMALISM; STATES AB A variational-bound formulation of the N-particle scattering problem has been developed based on the Yakubovskii-Faddeev chain-of-partition equations. It is shown that the scattering amplitude for the elastic, rearrangement or break-up processes satisfies a Lippmann-Schwinger type integral equation in which the kernel integration is over the open channels and the closed channels enter through the effective potential. In the case where only two (three)-cluster open channels are allowed, the integral equation for the transition amplitude involves integration over only one (two) momentum vector(s). A variational estimate for the effective potential input to the integral equation is obtained when the closed channel partition Green's functions are estimated variationally. It is shown that the variational estimates for the closed-channel Green's function also provide upper and lower bounds that can be used as a subsidiary extremum principle to determine optimum parameters in the trial function. Several methods are provided for simplifying the determination of the effective potential. The inclusion of Coulomb potentials in the Yakubovskii-Faddeev (YF) chain-of-partition formalism is also described. In this approach the inter-particle potential is not assumed to be separable as in typical quasi-particle schemes. The many-body dependence of the effective potential is included via expectation values involving an inter-particle potential and spatially decaying trial functions. The N-body scattering problem is therefore reduced to: (a) solving a two-body scattering problem (three-body in the case of break-up) and (b) a bound-state type calculation to determine the effective potential. As an initial application, the method is applied to the case of low-energy elastic deuteron-deuteron scattering (including the Coulomb force) and compared to a recent cluster-reduction calculation. C1 Brookhaven Natl Lab, Dept Nucl Sci & Technol, Upton, NY 11973 USA. RP Carew, JF (reprint author), Brookhaven Natl Lab, Dept Nucl Sci & Technol, Upton, NY 11973 USA. EM carew@bnl.gov NR 52 TC 0 Z9 0 U1 0 U2 3 PU SPRINGER WIEN PI WIEN PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA SN 0177-7963 EI 1432-5411 J9 FEW-BODY SYST JI Few-Body Syst. PD MAR PY 2014 VL 55 IS 3 BP 171 EP 190 DI 10.1007/s00601-014-0844-0 PG 20 WC Physics, Multidisciplinary SC Physics GA AC8RL UT WOS:000332801300001 ER PT J AU Goldsmith, MR Grulke, CM Brooks, RD Transue, TR Tan, YM Frame, A Egeghy, PP Edwards, R Chang, DT Tornero-Velez, R Isaacs, K Wang, A Johnson, J Holm, K Reich, M Mitchell, J Vallero, DA Phillips, L Phillips, M Wambaugh, JF Judson, RS Buckley, TJ Dary, CC AF Goldsmith, M. -R. Grulke, C. M. Brooks, R. D. Transue, T. R. Tan, Y. M. Frame, A. Egeghy, P. P. Edwards, R. Chang, D. T. Tornero-Velez, R. Isaacs, K. Wang, A. Johnson, J. Holm, K. Reich, M. Mitchell, J. Vallero, D. A. Phillips, L. Phillips, M. Wambaugh, J. F. Judson, R. S. Buckley, T. J. Dary, C. C. TI Development of a consumer product ingredient database for chemical exposure screening and prioritization SO FOOD AND CHEMICAL TOXICOLOGY LA English DT Article DE Chemical exposure; Consumer products; Ingredients; Product formulation; Near field exposure; Exposure prioritization ID SEMIVOLATILE ORGANIC-COMPOUNDS; INDOOR ENVIRONMENT; RISK-ASSESSMENT; INTAKE FRACTION; POLLUTANTS; AIR; RESOURCE; MODELS; AGENCY; DUST AB Consumer products are a primary source of chemical exposures, yet little structured information is available on the chemical ingredients of these products and the concentrations at which ingredients are present. To address this data gap, we created a database of chemicals in consumer products using product Material Safety Data Sheets (MSDSs) publicly provided by a large retailer. The resulting database represents 1797 unique chemicals mapped to 8921 consumer products and a hierarchy of 353 consumer product "use categories" within a total of 15 top-level categories. We examine the utility of this database and discuss ways in which it will support (i) exposure screening and prioritization, (ii) generic or framework formulations for several indoor/consumer product exposure modeling initiatives, (iii) candidate chemical selection for monitoring near field exposure from proximal sources, and (iv) as activity tracers or ubiquitous exposure sources using "chemical space" map analyses. Chemicals present at high concentrations and across multiple consumer products and use categories that hold high exposure potential are identified. Our database is publicly available to serve regulators, retailers, manufacturers, and the public for predictive screening of chemicals in new and existing consumer products on the basis of exposure and risk. Published by Elsevier Ltd. C1 [Goldsmith, M. -R.; Grulke, C. M.; Tan, Y. M.; Frame, A.; Egeghy, P. P.; Chang, D. T.; Tornero-Velez, R.; Isaacs, K.; Wang, A.; Johnson, J.; Holm, K.; Vallero, D. A.; Phillips, L.; Phillips, M.; Wambaugh, J. F.; Judson, R. S.; Buckley, T. J.; Dary, C. C.] US EPA, Off Res & Dev, Res Triangle Pk, NC 27711 USA. [Brooks, R. D.] US EPA, Res Triangle Pk, NC 27711 USA. [Transue, T. R.] Lockheed Martin Informat Technol, Res Triangle Pk, NC 27711 USA. [Edwards, R.] N Carolina State Univ, Raleigh, NC 27695 USA. [Frame, A.; Wang, A.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Reich, M.] Univ N Carolina, Chapel Hill, NC 27514 USA. [Mitchell, J.] Michigan State Univ, E Lansing, MI 48824 USA. RP Goldsmith, MR (reprint author), US EPA, Off Res & Dev, Res Triangle Pk, NC 27711 USA. EM goldsmith.rocky@epa.gov; tan.cecilia@epa.gov; isaacs.kristin@epa.gov OI Phillips, Martin/0000-0002-6282-529X; Judson, Richard/0000-0002-2348-9633; Wambaugh, John/0000-0002-4024-534X FU United States Environmental Protection Agency through its Office of Research and Development; U.S. EPA Pathfinder Innovation Project award FX The United States Environmental Protection Agency through its Office of Research and Development funded and managed the research described here. The initial funding for this research came from a U.S. EPA Pathfinder Innovation Project award for "Systems Reality Modeling." We are grateful to the Shaw University Research Internship program for providing students that assisted in this research. We thank Charles Bevington and Cathy Fehrenbacher of the U.S. EPA's Office of Chemical Safety and Pollution Prevention for collaboration and helpful discussions. We thank Mike Uhl (Lockheed Martin Information Technology Services), Ravi Nair and Heidi Paulson (both U.S. EPA's Environmental Modeling and Visualization Laboratory) for project coordination on the interface design. We thank Pertti Hakkinen (National Library of Medicine) and Henry Delima (Henry Delima Associates) for providing input through ongoing discussion. We thank Linda Sheldon, Satori Marchitti and Haluk Ozkaynak (NERL) for administrative review and feedback. NR 41 TC 23 Z9 23 U1 6 U2 30 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0278-6915 EI 1873-6351 J9 FOOD CHEM TOXICOL JI Food Chem. Toxicol. PD MAR PY 2014 VL 65 BP 269 EP 279 DI 10.1016/j.fct.2013.12.029 PG 11 WC Food Science & Technology; Toxicology SC Food Science & Technology; Toxicology GA AC4OL UT WOS:000332500500034 PM 24374094 ER PT J AU Sun, YN Elizondo, M Lu, S Fuller, JC AF Sun, Yannan Elizondo, Marcelo Lu, Shuai Fuller, Jason C. TI The Impact of Uncertain Physical Parameters on HVAC Demand Response SO IEEE TRANSACTIONS ON SMART GRID LA English DT Article DE Demand response; parameter sensitivity; uncertainty quantification AB Heating, ventilation and air conditioning (HVAC) units are one of the major resources providing demand response (DR) in residential buildings. A DR program requires a large population of units to make a significant impact on power grid services like peak shaving and balancing. This paper investigates the importance of various HVAC physical parameters and their distributions that affect the aggregate response of a population of units to DR signals. This is a key step to the construction of HVAC models with DR functionality, given insufficient data, to predict the DR capacity available for dispatch. The HVAC model parameters include the size of floors, insulation efficiency, the amount of solid mass in the house, and efficiency. These parameters are usually assumed to follow Gaussian or Uniform distributions over the population. The impact of uncertainty in parameter distributions are quantified through the following steps: 1) Simulate the response of an HVAC population during the transient phase and during steady state for a given DR signal; 2) Use a quasi-Monte Carlo sampling method with linear regression and Prony analysis to evaluate the sensitivity of the DR output to the uncertainty in the parameter distributions; and 3) Identify important parameters based on their impact to the aggregate HVAC response. Utilities or DR providers can use this analysis as guidance in the collection of data to derive an effective DR model. C1 [Sun, Yannan; Elizondo, Marcelo; Lu, Shuai; Fuller, Jason C.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Sun, YN (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM Yannan.sun@pnnl.gov; Marcelo.elizondo@pnnl.gov; Shuai.lu@pnnl.gov; Jason.fuller@pnnl.gov RI Fuller, Jason/C-9951-2014 OI Fuller, Jason/0000-0002-0462-0093 FU Laboratory Directed Research and Development (LDRD) program at the Pacific North-west National Laboratory; DOE [DE-AC05-76RL01830] FX This work was supported by the Laboratory Directed Research and Development (LDRD) program at the Pacific North-west National Laboratory. Pacific Northwest National Laboratory (PNNL) is operated by Battelle for DOE under contract DE-AC05-76RL01830. Paper no. TSG-00253-2013. NR 15 TC 4 Z9 5 U1 0 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1949-3053 J9 IEEE T SMART GRID JI IEEE Trans. Smart Grid PD MAR PY 2014 VL 5 IS 2 BP 916 EP 923 DI 10.1109/TSG.2013.2295540 PG 8 WC Engineering, Electrical & Electronic SC Engineering GA AB7QH UT WOS:000331985300039 ER PT J AU Du, PW Lu, N Wang, JH Zhang, XP Masiello, R Henderson, M AF Du, Pengwei Lu, Ning Wang, Jianhui Zhang, Xiao-Ping Masiello, Ralph Henderson, Mike TI Introduction to the Special Section on Energy Storage Applications for Smart Grid SO IEEE TRANSACTIONS ON SMART GRID LA English DT Editorial Material C1 [Du, Pengwei] Elect Reliabil Council Texas, Austin, TX 78744 USA. [Lu, Ning] N Carolina State Univ, Raleigh, NC 27695 USA. [Wang, Jianhui] Argonne Natl Lab, Lemont, IL USA. [Zhang, Xiao-Ping] Univ Birmingham, Birmingham, W Midlands, England. [Masiello, Ralph] KEMA, Chalfont, PA USA. [Henderson, Mike] ISO New England, Holyoke, MA USA. RP Du, PW (reprint author), Elect Reliabil Council Texas, Austin, TX 78744 USA. NR 0 TC 0 Z9 0 U1 0 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1949-3053 J9 IEEE T SMART GRID JI IEEE Trans. Smart Grid PD MAR PY 2014 VL 5 IS 2 BP 935 EP 936 DI 10.1109/TSG.2014.2305312 PG 2 WC Engineering, Electrical & Electronic SC Engineering GA AB7QH UT WOS:000331985300041 ER PT J AU Jin, CL Lu, N Lu, S Makarov, YV Dougal, RA AF Jin, Chunlian Lu, Ning Lu, Shuai Makarov, Yuri V. Dougal, Roger A. TI A Coordinating Algorithm for Dispatching Regulation Services Between Slow and Fast Power Regulating Resources SO IEEE TRANSACTIONS ON SMART GRID LA English DT Article DE Ancillary services; energy storage; regulation service; renewable integration; wear and tear AB This paper presents a novel coordinating algorithm for dispatching regulation services between slow and fast power regulating resources using a conventional power generator and a flywheel energy storage system as an example. The goal is to let the flywheel storage device follow the fast changes in the regulation signal and let the conventional generator compensate for the energy imbalance when the flywheel storage is nearly fully charged or discharged. A state-of-charge (SOC) band control algorithm is developed tomaintain the storage device SOC within a desired range. Real system regulation signals were used to test the performance of the coordinating algorithm. The simulation results show that: 1) the HRR achieves the same fast response rate as that of the storage device, 2) the up and down movements of the generator are minimized, and 3) the SOC of the storage device is maintained within the desired range most of the time. Therefore, the proposed coordinating algorithm can provide the high quality regulation service while reducing maintenance-inducing strain on conventional generators. C1 [Jin, Chunlian; Lu, Ning; Lu, Shuai; Makarov, Yuri V.] Pacific NW Natl Lab, Richland, WA 99354 USA. [Lu, Ning] N Carolina State Univ, Raleigh, NC 27695 USA. [Dougal, Roger A.] Univ S Carolina, Columbia, SC 29201 USA. RP Jin, CL (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM chunlian.jin@pnnl.gov; nlu2@ncsu.edu; shuai.lu@pnnl.gov; yuri.makarov@pnnl.gov; dougal@cec.sc.edu FU Internal Research and Development (IR&D) program at the Battelle Memorial Institute FX This work was supported by the Internal Research and Development (IR&D) program at the Battelle Memorial Institute. Paper no. TSG-00145-2013. NR 20 TC 4 Z9 6 U1 2 U2 8 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1949-3053 J9 IEEE T SMART GRID JI IEEE Trans. Smart Grid PD MAR PY 2014 VL 5 IS 2 BP 1043 EP 1050 DI 10.1109/TSG.2013.2277974 PG 8 WC Engineering, Electrical & Electronic SC Engineering GA AB7QH UT WOS:000331985300053 ER PT J AU Barrientos, G Masse, WB AF Barrientos, Gustavo Masse, W. Bruce TI The Archaeology of Cosmic Impact: Lessons from Two Mid-Holocene Argentine Case Studies SO JOURNAL OF ARCHAEOLOGICAL METHOD AND THEORY LA English DT Article DE Extraterrestrial object collisions; Quaternary Period; Archaeological evidence and judgment criteria; Campo del Cielo and Rio Cuarto impact events ID CAMPO DEL CIELO; TEMPORAL FREQUENCY-DISTRIBUTIONS; LATE PLEISTOCENE-HOLOCENE; PAMPEAN REGION ARGENTINA; ROMAN GEOMYTH PRESERVES; SOUTHERN SOUTH-AMERICA; YOUNGER DRYAS BOUNDARY; MAMMOTH-KILLER IMPACT; CANYON DIABLO IMPACT; NEAR-EARTH OBJECTS AB Cosmic impact is a category of natural catastrophe neglected or misunderstood by most archaeologists in reconstructions of past human population dynamics. We discuss the nature of impact by asteroids and comets and what is known and theorized about the Quaternary Period impact record. As case studies for our exploration of how archaeological method and theory can be productively applied to the study of cosmic impact, we focus on two confirmed Holocene asteroid impacts in central and northeastern Argentina, Rio Cuarto and Campo del Cielo, both likely dating between 6 and 3 cal ky BP. We model and assess the potential destructive effects of these impacts on contemporary hunting and gathering populations using several lines of evidence. The search for Quaternary Period cosmic impacts, along with the documentation of the effects of confirmed cosmic impacts on human populations, particularly of those organized in small-scale social groups, represents a challenge and key opportunity for future archaeological research. C1 [Barrientos, Gustavo] Univ Nacl La Plata, Fac Ciencias Nat & Museo, La Plata, Buenos Aires, Argentina. [Barrientos, Gustavo] Consejo Nacl Invest Cient & Tecn, Consejo Nacl Invest Cient & Tecn, RA-1033 Buenos Aires, DF, Argentina. [Masse, W. Bruce] Los Alamos Natl Lab, Environm Stewardship Grp, Los Alamos, NM 87545 USA. RP Masse, WB (reprint author), Los Alamos Natl Lab, Environm Stewardship Grp, Mailstop J978, Los Alamos, NM 87545 USA. EM barrient@museo.fcnym.unlp.edu.ar; wbmasse@gmail.com NR 360 TC 3 Z9 3 U1 2 U2 13 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1072-5369 EI 1573-7764 J9 J ARCHAEOL METHOD TH JI J. Archaeol. Method Theory PD MAR PY 2014 VL 21 IS 1 BP 134 EP 211 DI 10.1007/s10816-012-9149-0 PG 78 WC Anthropology; Archaeology SC Anthropology; Archaeology GA AC2XD UT WOS:000332378700005 ER PT J AU Shukla, KK Phanikumar, DV Newsom, RK Kumar, KN Ratnam, MV Naja, M Singh, N AF Shukla, K. K. Phanikumar, D. V. Newsom, Rob K. Kumar, K. Niranjan Ratnam, M. Venkat Naja, M. Singh, Narendra TI Estimation of the mixing layer height over a high altitude site in Central Himalayan region by using Doppler lidar SO JOURNAL OF ATMOSPHERIC AND SOLAR-TERRESTRIAL PHYSICS LA English DT Article DE Doppler lidar; Mixing layer height; GVAX ID ATMOSPHERIC BOUNDARY-LAYER; STATION; TOP AB A Doppler lidar was installed at Manora Peak, Nainital (29.4 degrees N; 79.2 degrees E; 1958 amsl) to estimate mixing layer height for the first time by using vertical velocity variance as basic measurement parameter for the period September-November 2011. Mixing layer height is found to be located similar to 0.57 +/- 0.1 and 0.45 +/- 0.05 km AGL during day and nighttime, respectively. The estimation of mixing layer height shows good correlation (R-2 > 0.8) between different instruments and with different methods. Our results show that wavelet co-variance transform is a robust method for mixing layer height estimation. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Shukla, K. K.; Phanikumar, D. V.; Naja, M.; Singh, Narendra] Aryabhatta Res Inst Observat Sci, Naini Tal 263002, Uttrakhand, India. [Shukla, K. K.] Pt Ravishankar Shukla Univ, Raipur, Chhatisgarh, India. [Newsom, Rob K.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Kumar, K. Niranjan] Masdar Inst Sci & Technol, Abu Dhabi, U Arab Emirates. [Ratnam, M. Venkat] Natl Atmospher Res Lab, Tirupati, Andhra Pradesh, India. RP Shukla, KK (reprint author), Aryabhatta Res Inst Observat Sci, Naini Tal 263002, Uttrakhand, India. EM krishna@aries.res.in OI Venkat Ratnam, M./0000-0002-3882-2523 FU Masdar Institute of Science and Technology, Abu Dhabi, United Arab Emirates FX This work has been carried out as a part of GVAX campaign in joint collaboration among Atmospheric Radiation Measurement (ARM), Department of Energy (US), Indian institute of Science (IISC) and Indian Space Research Organization (ISRO), India. We thank Director, ARIES for providing the necessary support. We thank Prof. Rao Kotamurthi for his valuable suggestions for the improvement of the manuscript. We also acknowledge Dr. Baars for fruitful discussions regarding WCT method. One of the authors acknowledges Masdar Institute of Science and Technology, Abu Dhabi, United Arab Emirates, for providing the fellowship. NR 20 TC 4 Z9 4 U1 1 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1364-6826 EI 1879-1824 J9 J ATMOS SOL-TERR PHY JI J. Atmos. Sol.-Terr. Phys. PD MAR PY 2014 VL 109 BP 48 EP 53 DI 10.1016/j.jastp.2014.01.006 PG 6 WC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences SC Geochemistry & Geophysics; Meteorology & Atmospheric Sciences GA AC3QI UT WOS:000332435900008 ER PT J AU Choi, JK Fthenakis, V AF Choi, Jun-Ki Fthenakis, Vasilis TI Crystalline silicon photovoltaic recycling planning: macro and micro perspectives SO JOURNAL OF CLEANER PRODUCTION LA English DT Article DE Photovoltaic; End-of-life management; Recycling infrastructure ID DYNAMIC-ANALYSIS; SOLAR-CELLS; MODULES; STOCKS; WASTE; FLOWS; LIFE; END; OPTIMIZATION; MANAGEMENT AB The usage of valuable resources and the potential for waste generation at the end of the life cycle of photovoltaic (PV) technologies necessitate a proactive planning for a PV recycling infrastructure. To ensure the sustainability of PV in large scales of deployment, it is vital to develop and institute low-cost recycling technologies and infrastructure for the emerging PV industry in parallel with the rapid commercialization of these new technologies. There are various issues involved in the economics of PV recycling and we examine those at macro and micro levels, developing a holistic interpretation of the economic viability of the PV recycling systems. We developed mathematical models to analyze the profitability of recycling technologies and to guide tactical decisions for allocating optimal location of PV take-back centers (PVTBC), necessary for the collection of end of life products. The economic decision is usually based on the level of the marginal capital cost of each PVTBC, cost of reverse logistics, distance traveled, and the amount of PV waste collected from various locations. Our results illustrated that the reverse logistics costs comprise a major portion of the cost of PVTBC; PV recycling centers can be constructed in the optimally selected locations to minimize the total reverse logistics cost for transporting the PV wastes from various collection facilities to the recycling center. In the micro-process level, automated recycling processes should be developed to handle the large amount of growing PV wastes economically. The market price of the reclaimed materials are important factors for deciding the profitability of the recycling process and this illustrates the importance of the recovering the glass and expensive metals from PV modules. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Choi, Jun-Ki] Univ Dayton, Kettering Labs, Dayton, OH 45469 USA. [Fthenakis, Vasilis] Brookhaven Natl Lab, Photovolta Environm Res Ctr, Upton, NY 11973 USA. RP Choi, JK (reprint author), Univ Dayton, Kettering Labs, 300 Coll Pk, Dayton, OH 45469 USA. EM jchoi1@udayton.edu; fthenakis@bnl.gov FU University of Dayton [KFL-211]; Solar Technologies Program; Energy Efficiency and Renewable Energy; USDOE [DE-AC02-76CH000016] FX The Authors thank anonymous reviewers for their insightful and constructive comments on the manuscript. Authors appreciate the University of Dayton for the research council seed grant KFL-211 awarded to support this work. Part of this research was supported by the Solar Technologies Program, Energy Efficiency and Renewable Energy, USDOE Contract DE-AC02-76CH000016. NR 32 TC 18 Z9 18 U1 5 U2 52 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0959-6526 EI 1879-1786 J9 J CLEAN PROD JI J. Clean Prod. PD MAR 1 PY 2014 VL 66 BP 443 EP 449 DI 10.1016/j.jclepro.2013.11.022 PG 7 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Environmental; Environmental Sciences SC Science & Technology - Other Topics; Engineering; Environmental Sciences & Ecology GA AC2TG UT WOS:000332356300045 ER PT J AU Brown, RA Borst, M AF Brown, Robert A. Borst, Michael TI Evaluation of Surface Infiltration Testing Procedures in Permeable Pavement Systems SO JOURNAL OF ENVIRONMENTAL ENGINEERING LA English DT Article DE Porous asphalt; Permeable pavement; Permeable interlocking concrete pavers; Pervious concrete; Infiltration; Storm water control measure; Green infrastructure; ASTM C1701 ID PERVIOUS CONCRETE; POROUS ASPHALT; STORM-WATER; ASTM C1701; PERFORMANCE; POLLUTION; QUALITY AB The ASTM method for measuring the infiltration rate of in-place pervious concrete provides limited guidance on how to select test locations and how results should be interpreted to assess surface condition and maintenance needs. The ASTM method is written specifically for pervious concrete, so additional research is needed to determine the applicability of this method to other permeable pavement types. In 2009, the U.S. Environmental Protection Agency constructed a 0.4-ha parking lot surfaced with permeable interlocking concrete pavers (PICP), pervious concrete (PC), and porous asphalt (PA). Surface infiltration testing was conducted for almost three years, and two methods were used to select test locations: monthly testing at randomly selected locations and quarterly testing at fixed locations. Infiltration rates were significantly different for each pavement type. With almost three years of use, maintenance has yet to be required, although infiltration has decreased in areas immediately downgradient of impermeable asphalt driving lanes and to a greater extent where disturbed soil was present. The longevity was attributed to the clogging mechanism. Runoff transports solids to the upgradient edge of the permeable pavement surface where the solids are filtered and accumulate as runoff infiltrates. As surface clogging progresses from the upgradient edge, the method of selecting a random location across the entire area typically resulted in most locations being on an unaffected area. This did not produce a meaningful change in infiltration rate to suggest maintenance was needed for the entire surface. The results of this study indicate that the ASTM C1701 method may be applicable to PICP; however, for PA, further evaluation is needed. It is recommended that future infiltration testing should strategically select fixed test locations based on expected clogging patterns. Furthermore, less water can be used, enabling more tests to be conducted at strategic locations over the pavement surface area to better determine locations of clogging. C1 [Brown, Robert A.] US EPA, ORISE, Edison, NJ 08837 USA. [Borst, Michael] US EPA, Edison, NJ 08837 USA. RP Brown, RA (reprint author), US EPA, ORISE, 2890 Woodbridge Ave,MS-104, Edison, NJ 08837 USA. EM brown.robert-a@epa.gov; borst.mike@epa.gov FU U.S. Department of Energy; U.S. Environmental Protection Agency FX This project was supported in part by an appointment to the Research Participation Program at the National Risk Management Research Laboratory administered by the Oak Ridge Institute for Science and Education (ORISE) through an interagency agreement between the U.S. Department of Energy and the U.S. Environmental Protection Agency. The authors would like to thank PARS Environmental for conducting the infiltration measurements, and Mr. Thomas O'Connor, Dr. Amy Rowe, and Dr. Emilie Stander for their initial work in setting up the project. NR 37 TC 5 Z9 5 U1 2 U2 51 PU ASCE-AMER SOC CIVIL ENGINEERS PI RESTON PA 1801 ALEXANDER BELL DR, RESTON, VA 20191-4400 USA SN 0733-9372 EI 1943-7870 J9 J ENVIRON ENG JI J. Environ. Eng.-ASCE PD MAR 1 PY 2014 VL 140 IS 3 DI 10.1061/(ASCE)EE.1943-7870.0000808 PG 12 WC Engineering, Environmental; Engineering, Civil; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA AC6UF UT WOS:000332659800001 ER PT J AU Pandey, A Shyam, A Watkins, TR Lara-Curzio, E Stafford, RJ Hemker, KJ AF Pandey, Amit Shyam, Amit Watkins, Thomas R. Lara-Curzio, Edgar Stafford, Randy J. Hemker, Kevin J. TI The Uniaxial Tensile Response of Porous and Microcracked Ceramic Materials SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID MAGNESIA-SPINEL COMPOSITES; SPRAYED ZIRCONIA COATINGS; MECHANICAL-PROPERTIES; ELASTIC PROPERTIES; YOUNGS MODULUS; BEHAVIOR; FRACTURE; CORDIERITE; FAILURE; CURVES AB The uniaxial tensile stress-strain behavior of three porous ceramic materials was determined at ambient conditions. Test specimens in the form of thin beams were obtained from the walls of diesel particulate filter honeycombs and tested using a microtesting system. A digital image correlation technique was used to obtain full-field 2D in-plane surface displacement maps during tensile loading, and in turn, the 2D strains obtained from displacement fields were used to determine the Secant modulus, Young's modulus, and initial Poisson's ratio of the three porous ceramic materials. Successive unloading-reloading experiments were performed at different levels of stress to decouple the linear elastic, anelastic, and inelastic response in these materials. It was found that the stress-strain response of these materials was nonlinear and that the degree of nonlinearity is related to the initial microcrack density and evolution of damage in the material. C1 [Pandey, Amit; Shyam, Amit; Watkins, Thomas R.; Lara-Curzio, Edgar] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Pandey, Amit] Rolls Royce LG Fuel Cell Syst Inc, Reliabil Div, North Canton, OH 44720 USA. [Stafford, Randy J.] Cummins Inc, Ceram & Catalyst Technol, Columbus, IN 47201 USA. [Hemker, Kevin J.] Johns Hopkins Univ, Dept Mech Engn, Baltimore, MD 21218 USA. RP Pandey, A (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM dramitpandey@gmail.com RI Watkins, Thomas/D-8750-2016; OI Watkins, Thomas/0000-0002-2646-1329; Shyam, Amit/0000-0002-6722-4709 FU U.S. Department of Energy, Office of Vehicle Technologies, as part of the Propulsion Materials Program [DE-AC05-00OR22725]; UT-Battelle, LLC. FX We thank Andrew Wereszczak (ORNL) and Michael Lance (ORNL) for reviewing the manuscript. We would also like to thank the reviewers whose comments and feedback has greatly improved this manuscript. Research sponsored by the U.S. Department of Energy, Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies, as part of the Propulsion Materials Program, under contract DE-AC05-00OR22725 with UT-Battelle, LLC. NR 42 TC 10 Z9 10 U1 2 U2 33 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0002-7820 EI 1551-2916 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD MAR PY 2014 VL 97 IS 3 BP 899 EP 906 DI 10.1111/jace.12720 PG 8 WC Materials Science, Ceramics SC Materials Science GA AC0OX UT WOS:000332195700037 ER PT J AU Berryman, JG AF Berryman, James G. TI Hybrid effective medium approximations for random elastic composites SO MECHANICS OF MATERIALS LA English DT Article DE Elastic composites ID EFFECTIVE VISCOELASTIC MODULI; LONG-WAVELENGTH PROPAGATION; MATRIX-BASED COMPOSITES; SELF-CONSISTENT SCHEME; COMPLEX SHEAR MODULUS; MORI-TANAKA THEORY; 2-PHASE MEDIA; RIGOROUS BOUNDS; 2-COMPONENT COMPOSITES; VARIATIONAL PRINCIPLES AB Several popular effective medium approximations for elastic constants of random composites are reformulated in terms of a pair of canonical functions and their transform variables. This choice of reformulation enables easier comparisons of the results of all these methods with rigorous bounds. Furthermore, insight into the various methods gained by taking this point of view suggests a number of new effective medium approximations that, in some cases, are natural variants and/or combinations (i.e., hybrids) of the existing ones, and in other cases are new ones based in part on the bounds themselves. Numerical comparisons are given for several standard inclusion models - including spherical, needle, and pennyshaped inclusions - as well as the penetrable sphere model. Of the various alternatives considered, a new method called the split-step differential (SSD) scheme is one of the more useful ones, as it simplifies the differential scheme by replacing half of this scheme's integration routines with a simple update formula for the bulk modulus. (c) 2013 Elsevier Ltd. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Berryman, JG (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, One Cyclotron Rd,MS 74R316C, Berkeley, CA 94720 USA. EM jgberryman@lbl.gov FU U.S. Department of Energy, at the Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Geosciences Research Program of the DOE Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences FX Work performed under the auspices of the U.S. Department of Energy, at the Lawrence Berkeley National Laboratory, under Contract No. DE-AC02-05CH11231. Support was provided specifically by the Geosciences Research Program of the DOE Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. NR 97 TC 1 Z9 1 U1 1 U2 12 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-6636 EI 1872-7743 J9 MECH MATER JI Mech. Mater. PD MAR PY 2014 VL 70 BP 115 EP 135 DI 10.1016/j.mechmat.2013.11.003 PG 21 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA AC7ZM UT WOS:000332752800010 ER PT J AU Dichosa, AEK Daughton, AR Reitenga, KG Fitzsimons, MS Han, CS AF Dichosa, Armand E. K. Daughton, Ashlynn R. Reitenga, Krista G. Fitzsimons, Michael S. Han, Cliff S. TI Capturing and cultivating single bacterial cells in gel microdroplets to obtain near-complete genomes SO NATURE PROTOCOLS LA English DT Article ID MULTIPLE DISPLACEMENT AMPLIFICATION; FLOW-CYTOMETRY; DARK-MATTER; MICROORGANISMS; COMMUNITIES; ENUMERATION; PHYLOGENY; DIVERSITY; SEQUENCES; INSIGHTS AB Assembling a complete genome from a single bacterial cell, termed single-cell genomics, is challenging with current technologies. Recovery rates of complete genomes from fragmented assemblies of single-cell templates significantly vary. Although increasing the amount of genomic template material by standard cultivation improves recovery, most bacteria are unfortunately not amenable to traditional cultivation, possibly owing to the lack of unidentified, yet necessary, growth signals and/ or specific symbiotic influences. To overcome this limitation, we adopted and modified the method of cocultivation of single-captured bacterial cells in gel microdroplets (GMDs) to improve full genomic sequence recovery. By completing multiple genomes of two novel species derived from single cells, we demonstrated its efficacy on diverse bacterial species using human oral and gut microbiome samples. Here we describe a detailed protocol for capturing single bacterial cells, cocultivating them in medium and isolating microcolonies in GMDs with flow cytometry. Beginning with preliminary studies, obtaining GMDs with single microcolonies for whole-genome amplification may take similar to 4 weeks. C1 [Dichosa, Armand E. K.; Daughton, Ashlynn R.; Reitenga, Krista G.; Fitzsimons, Michael S.; Han, Cliff S.] Los Alamos Natl Lab, Genome Sci Programs, Bioenergy & Biome Sci B 11, Los Alamos, NM 87544 USA. RP Han, CS (reprint author), Los Alamos Natl Lab, Genome Sci Programs, Bioenergy & Biome Sci B 11, Los Alamos, NM 87544 USA. EM han_cliff@lanl.gov OI Dichosa, Armand/0000-0003-0640-6629 FU Los Alamos National Laboratory through a Directed Research program [20110034DR] FX This work was supported by Los Alamos National Laboratory through a Directed Research program with project code 20110034DR. NR 36 TC 11 Z9 11 U1 5 U2 40 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1754-2189 EI 1750-2799 J9 NAT PROTOC JI Nat. Protoc. PD MAR PY 2014 VL 9 IS 3 BP 608 EP 621 DI 10.1038/nprot.2014.034 PG 14 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA AC0ZM UT WOS:000332224000009 PM 24525754 ER PT J AU Xie, ZP Sundstrom, JF Jin, YK Liu, CL Jansson, C Sun, CX AF Xie, Zhoupeng Sundstroem, Jens F. Jin, Yunkai Liu, Chunlin Jansson, Christer Sun, Chuanxin TI A selection strategy in plant transformation based on antisense oligodeoxynucleotide inhibition SO PLANT JOURNAL LA English DT Article DE endogenous plant genes; antibiotics and herbicides; Arabidopsis thaliana; antisense oligodeoxynucleotide (asODN) inhibition; traits from a selection marker; plant transformation; Oryza sativa; environmental concerns; technical advance ID SELECTABLE MARKER GENES; VIRUS-REPLICATION; BARLEY; SUGAR; OLIGONUCLEOTIDES; TRANSCRIPTION; ALTERNATIVES; EXPRESSION; PROMOTER; DELIVERY AB Antisense oligodeoxynucleotide (asODN) inhibition was developed in the 1970s, and since then has been widely used in animal research. However, in plant biology, the method has had limited application because plant cell walls significantly block efficient uptake of asODN to plant cells. Recently, we have found that asODN uptake is enhanced in a sugar solution. The method has promise for many applications, such as a rapid alternative to time-consuming transgenic studies, and high potential for studying gene functionality in intact plants and multiple plant species, with particular advantages in evaluating the roles of multiple gene family members. Generation of transgenic plants relies on the ability to select transformed cells. This screening process is based on co-introduction of marker genes into the plant cell together with a gene of interest. Currently, the most common marker genes are those that confer antibiotic or herbicide resistance. The possibility that traits introduced by selectable marker genes in transgenic field crops may be transferred horizontally is of major public concern. Marker genes that increase use of antibiotics and herbicides may increase development of antibiotic-resistant bacterial strains or contribute to weed resistance. Here, we describe a method for selection of transformed plant cells based on asODN inhibition. The method enables selective and high-throughput screening for transformed cells without conferring new traits or functions to the transgenic plants. Due to their high binding specificity, asODNs may also find applications as plant-specific DNA herbicides. C1 [Xie, Zhoupeng; Sundstroem, Jens F.; Sun, Chuanxin] Swedish Univ Agr Sci, Dept Plant Biol, Uppsala BioCtr, SE-75007 Uppsala, Sweden. [Xie, Zhoupeng; Sundstroem, Jens F.; Sun, Chuanxin] Linnean Ctr Plant Biol, SE-75007 Uppsala, Sweden. [Jin, Yunkai; Liu, Chunlin] Hunan Agr Univ, Hunan Prov Key Lab Crop Germplasm Innovat & Utili, Changsha 410128, Hunan, Peoples R China. [Jansson, Christer] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Jansson, C (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM cgjansson@lbl.gov; chuanxin.sun@slu.se OI Sundstrom, Jens/0000-0003-2848-5284 FU Swedish Research Council for Environment, Agricultural Sciences and Spatial Planning (Formas); SLU (Swedish University of Agricultural Sciences) Larosatesansokan Program (TC4F) for Team 4; Carl Trygger Foundation [CTS 11: 450]; National Science Foundation of China [31370389]; SLU program BarleyFunFood; Formas/Sida (The Swedish International Development Cooperation Agency) [220-2009-2069]; US Department of Energy [DEAC02-05CH11231]; Lawrence Berkeley National Laboratory; Vinnova FX We are especially grateful to Sten Stymne (Department of Plant Breeding, Swedish University of Agricultural Sciences, P.O. Box 101, 230 53 Alnarp, Sweden) for encouragement and advice in many strategic aspects of the work. We thank Gunilla Sward for Arabidopsis transformation, and Satish Nalawade and Xia Yan for assistance in tissue culture and quantitative PCR experiments. We are grateful to Bjorn Ingemarsson (SLU Holding AB, Uppsala Science Park, 751 83 Uppsala, Sweden), Magus Engevik (SLU Holding AB, Uppsala Science Park, 751 83 Uppsala, Sweden), Henrik Sjolander (Aros Patent AB, P.O. Box 1544, 751 45 Uppsala, Sweden) and Gerald Pettersson (Forskarpatent i Uppsala AB, Uppsala Science Park, 751 83 Uppsala, Sweden) for discussions concerning the layout of the experiments. This work was funded by the Swedish Research Council for Environment, Agricultural Sciences and Spatial Planning (Formas) under the Strategic Research Area for the Trees and Crops Building the Bioeconomy Program, the SLU (Swedish University of Agricultural Sciences) Larosatesansokan Program (TC4F) for Team 4 supported by Vinnova, the Carl Trygger Foundation (project number CTS 11: 450), the National Science Foundation of China (project number 31370389), the SLU program BarleyFunFood, a joint Formas/Sida (The Swedish International Development Cooperation Agency)-funded program (project number 220-2009-2069) on sustainable development in developing countries, and in part by the US Department of Energy (contract DEAC02-05CH11231) with Lawrence Berkeley National Laboratory. NR 25 TC 2 Z9 2 U1 2 U2 30 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0960-7412 EI 1365-313X J9 PLANT J JI Plant J. PD MAR PY 2014 VL 77 IS 6 BP 954 EP 961 DI 10.1111/tpj.12433 PG 8 WC Plant Sciences SC Plant Sciences GA AC4PP UT WOS:000332503500011 PM 24438514 ER PT J AU Phillips, WS Mayeda, KM Malagnini, L AF Phillips, W. Scott Mayeda, Kevin M. Malagnini, Luca TI How to Invert Multi-Band, Regional Phase Amplitudes for 2-D Attenuation and Source Parameters: Tests Using the USArray SO PURE AND APPLIED GEOPHYSICS LA English DT Article ID CONTINENTAL UNITED-STATES; LG WAVE-PROPAGATION; CODA-Q; SEISMIC DISCRIMINATION; CENTRAL-ASIA; TOMOGRAPHY; SPECTRA; CHINA; EARTHQUAKES; CALIFORNIA AB We inverted for laterally varying attenuation, absolute site terms, moments and apparent stress using over 460,000 Lg amplitudes recorded by the USArray for frequencies between 0.5 and 16 Hz. Corner frequencies of Wells, Nevada, aftershocks, obtained by independent analysis of coda spectral ratios, controlled the tradeoff between attenuation and stress, while independently determined moments from St. Louis University and the University of California constrained absolute levels. The quality factor, Q, was low for coastal regions and interior volcanic and tectonic areas, and high for stable regions such as the Great Plains, and Colorado and Columbia Plateaus. Q increased with frequency, and the rate of increase correlated inversely with 1-Hz Q, with highest rates in low-Q tectonic regions, and lowest rates in high-Q stable areas. Moments matched independently determined moments with a scatter of 0.2 NM. Apparent stress ranged from below 0.01 to above 1 MPa, with means of 0.1 MPa for smaller events, and 0.3 MPa for larger events. Stress was observed to be spatially coherent in some areas; for example, stress was lower along the San Andreas fault through central and northern California, and higher in the Walker Lane, and for isolated sequences such as Wells. Variance reduction relative to 1-D models ranged from 50 to 90 % depending on band and inversion method. Parameterizing frequency dependent Q as a power law produced little misfit relative to a collection of independent, multi-band Q models, and performed better than the omega-square source parameterization in that sense. Amplitude residuals showed modest, but regionally coherent patterns that varied from event to event, even between those with similar source mechanisms, indicating a combination of focal mechanism, and near source propagation effects played a role. An exception was the Wells mainshock, which produced dramatic amplitude patterns due to its directivity, and was thus excluded from the inversions. The 2-D Q plus absolute site models can be used for high accuracy, broad area source spectra, magnitude and yield estimation, and, in combination with models for all regional phases, can be used to improve discrimination, in particular for intermediate bands that allow coverage to be extended beyond that available for high frequency P-to-S discriminants. C1 [Phillips, W. Scott] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Mayeda, Kevin M.] Weston Geophys, Lexington, MA USA. [Malagnini, Luca] Ist Nazl Geofis & Vulcanol, Rome, Italy. RP Phillips, WS (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM phillipsfive505@comcast.net FU US DOE [DE-AC52-06NA25396] FX This study relied on waveform and ancillary data collected by the Earthscope USArray project. Waveforms we used included contributions from the ANZA Regional, Berkeley Digital Seismograph, Caltech Regional Seismic, Global Seismograph, Western Great Basin, USArray Transportable, US National Seismic, and U. Utah Regional networks. We further acknowledge the Array Operations Facility (NMT), the Array Network Facility (UCSD), and the IRIS Data Mangement Center for efforts to collect and archive USArray data for use by the scientific community. We also thank Robert Herrmann, Douglas Dreger, and students for their timely production of moment tensor results for public consumption. SAC and GMT software were used for processing and display. We greatly appreciate input from two anonymous reviewers. WSP thanks Mark Fisk for discussions about application of source constraints in Asia, and Michael Fehler for introducing the author to source parameter-attenuation inversions many years ago. Publication of this research was supported by the US DOE under contract DE-AC52-06NA25396. NR 50 TC 2 Z9 2 U1 2 U2 18 PU SPRINGER BASEL AG PI BASEL PA PICASSOPLATZ 4, BASEL, 4052, SWITZERLAND SN 0033-4553 EI 1420-9136 J9 PURE APPL GEOPHYS JI Pure Appl. Geophys. PD MAR PY 2014 VL 171 IS 3-5 BP 469 EP 484 DI 10.1007/s00024-013-0646-1 PG 16 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AC7XE UT WOS:000332745900009 ER PT J AU Xu, HM Rodgers, AJ Lomov, IN Vorobiev, OY AF Xu, Heming Rodgers, Arthur J. Lomov, Ilya N. Vorobiev, Oleg Y. TI Seismic Source Characteristics of Nuclear and Chemical Explosions in Granite from Hydrodynamic Simulations SO PURE AND APPLIED GEOPHYSICS LA English DT Article ID WAVES; PENETRATION; AMPLITUDES; ENERGIES; ROCK AB Seismic source characteristics of low-yield (0.5-5 kt) underground explosions are inferred from hydrodynamic simulations using a granite material model on high-performance (parallel) computers. We use a non-linear rheological model for granite calibrated to historical near-field nuclear test data. Equivalent elastic P-wave source spectra are derived from the simulated hydrodynamic response using reduced velocity potentials. Source spectra and parameters are compared with the models of Mueller and Murphy (Bull Seism Soc Am 61:1675-1692, 1971, hereafter MM71) and Denny and Johnson (Explosion source phenomenology, pp 1-24, 1991, hereafter DJ91). The source spectra inferred from the simulations of different yields at normal scaled depth-of-burial (SDOB) match the MM71 spectra reasonably well. For normally buried nuclear explosions, seismic moments are larger for the hydrodynamic simulations than MM71 (by 25 %) and for DJ91 (by over a factor of 2), however, the scaling of moment with yield across this low-yield range is consistent for our calculations and the two models. Spectra from our simulations show higher corner frequencies at the lower end of the 0.5-5.0 kt yield range and stronger variation with yield than the MM71 and DJ91 models predict. The spectra from our simulations have additional energy above the corner frequency, probably related to non-linear near-source effects, but at high frequencies the spectral slopes agree with the f (-2) predictions of MM71. Simulations of nuclear explosions for a range of SDOB from 0.5 to 3.9 show stronger variations in the seismic moment than predicted by the MM71 and DJ91 models. Chemical explosions are found to generate higher moments by a factor of about two compared to nuclear explosions of the same yield in granite and at normal depth-of-burial, broadly consistent with comparisons of nuclear and chemical shots at the US Nevada Test Site (Denny, Proceeding of symposium on the non-proliferation experiment, Rockville, Maryland, 1994). For all buried explosions, the region of permanent deformation and material damage is not spherical but extends along the free surface above and away from the source. The effect of damage induced by a normally buried nuclear explosion on seismic radiation is explored by comparing the motions from hydrodynamic simulations with those for point-source elastic Green's functions. Results show that radiation emerging at downward takeoff angles appears to be dominated by the expected isotropic source contribution, while at shallower angles the motions are complicated by near-surface damage and cannot be represented with the addition of a simple secondary compensated linear vector dipole point source above the shot point. The agreement and differences of simulated source spectra with the MM71 and DJ91 models motivates the use of numerical simulations to understand observed motions and investigate seismic source features for underground explosions in various emplacement media and conditions, including non-linear rheological effects such as material strength and porosity. C1 [Xu, Heming; Rodgers, Arthur J.; Lomov, Ilya N.; Vorobiev, Oleg Y.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Xu, HM (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM rodgers7@llnl.gov RI Rodgers, Arthur/E-2443-2011 FU National Nuclear Security Administration, Office of Defense Nuclear Nonproliferation Research and Development; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX Discussions with and comments from Bill Walter, Sean Ford and Karl Koch and reviews by the editors and two anonymous referees greatly improved the manuscript. We thank Lew Glenn and Tarabay Antoun for the historical granite explosion data and insightful discussions. We are grateful to the Institute for Scientific Computing Research (ISCR) at LLNL for a Computing Grand Challenge allocation to undertake these calculations. Simulations were performed on the SIERRA Linux cluster operated by Livermore Computing. Funding for this project was provided by the National Nuclear Security Administration, Office of Defense Nuclear Nonproliferation Research and Development. This work performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. This is LLNL contribution LLNL-JC-519253. NR 39 TC 6 Z9 6 U1 1 U2 7 PU SPRINGER BASEL AG PI BASEL PA PICASSOPLATZ 4, BASEL, 4052, SWITZERLAND SN 0033-4553 EI 1420-9136 J9 PURE APPL GEOPHYS JI Pure Appl. Geophys. PD MAR PY 2014 VL 171 IS 3-5 BP 507 EP 521 DI 10.1007/s00024-012-0623-0 PG 15 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AC7XE UT WOS:000332745900011 ER PT J AU Pasyanos, ME Ford, SR Walter, WR AF Pasyanos, Michael E. Ford, Sean R. Walter, William R. TI Testing Event Discrimination over Broad Regions using the Historical Borovoye Observatory Explosion Dataset SO PURE AND APPLIED GEOPHYSICS LA English DT Article DE Nuclear explosion monitoring; regional discrimination; attenuation; event identification ID PEACEFUL NUCLEAR-EXPLOSIONS; SEISMIC DISCRIMINATION; WESTERN CHINA; TEST-SITE; EARTHQUAKES; KAZAKSTAN AB We test the performance of high-frequency regional P/S discriminants to differentiate between earthquakes and explosions at test sites and over broad regions using a historical dataset of explosions recorded at the Borovoye Observatory in Kazakhstan. We compare these explosions to modern recordings of earthquakes at the same location. We then evaluate the separation of the two types of events using the raw measurements and those where the amplitudes are corrected for 1-D and 2-D attenuation structure. We find that high-frequency P/S amplitudes can reliably identify earthquakes and explosions, and that the discriminant is applicable over broad regions as long as propagation effects are properly accounted for. Lateral attenuation corrections provide the largest improvement in the 2-4 Hz band, the use of which may successfully enable the identification of smaller, distant events that have lower signal-to-noise at higher frequencies. We also find variations in P/S ratios among the three main nuclear testing locations within the Semipalatinsk Test Site which, due to their nearly identical paths to BRVK, must be a function of differing geology and emplacement conditions. C1 [Pasyanos, Michael E.; Ford, Sean R.; Walter, William R.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Pasyanos, ME (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM pasyanos1@llnl.gov RI Walter, William/C-2351-2013; Pasyanos, Michael/C-3125-2013; Ford, Sean/F-9191-2011 OI Walter, William/0000-0002-0331-0616; Ford, Sean/0000-0002-0376-5792 FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work would not be possible without the tireless efforts of researchers at the Lamont-Doherty Earth Observatory and Los Alamos National Laboratory in compiling, deglitching and determining the instrument responses for thirty years of Borovoye data. We also thank the many people who worked at the Borovoye Observatory over the years to enable the decades of acquisition of digital recordings of seismic ground motion. This data is accessible at http://www.ldeo.columbia.edu/res/pi/Monitoring/Arch/BRV_arch_deglitched. html. We thank Paul Richards for providing boundaries of the Semipalatinsk Test Site (http://www.ldeo.columbia.edu/similar to richards/Semi.boundaries.html). We thank Terri Hauk and Stan Ruppert for maintaining the LLNL Seismic Research Database, Eric Matzel for making many of the amplitude measurements used in this study, and Alan Sicherman for his assistance with statistical analysis. We also thank Doug Dodge and Mike Ganzberger for the Regional Bodywave Amplitude Processor (RBAP), the tool used to make our amplitude measurements. This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. This is LLNL contribution LLNL-JRNL-516095. NR 29 TC 3 Z9 3 U1 2 U2 7 PU SPRINGER BASEL AG PI BASEL PA PICASSOPLATZ 4, BASEL, 4052, SWITZERLAND SN 0033-4553 EI 1420-9136 J9 PURE APPL GEOPHYS JI Pure Appl. Geophys. PD MAR PY 2014 VL 171 IS 3-5 BP 523 EP 535 DI 10.1007/s00024-012-0591-4 PG 13 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AC7XE UT WOS:000332745900012 ER PT J AU Anderson, DN Patton, HJ Taylor, SR Bonner, JL Selby, ND AF Anderson, D. N. Patton, H. J. Taylor, S. R. Bonner, J. L. Selby, N. D. TI Sources of Error and the Statistical Formulation of M (S): m (b) Seismic Event Screening Analysis SO PURE AND APPLIED GEOPHYSICS LA English DT Article ID MAGNITUDE; SURFACE; DISTANCE; DISCRIMINATION; WAVES AB The Comprehensive Nuclear-Test-Ban Treaty (CTBT), a global ban on nuclear explosions, is currently in a ratification phase. Under the CTBT, an International Monitoring System (IMS) of seismic, hydroacoustic, infrasonic and radionuclide sensors is operational, and the data from the IMS is analysed by the International Data Centre (IDC). The IDC provides CTBT signatories basic seismic event parameters and a screening analysis indicating whether an event exhibits explosion characteristics (for example, shallow depth). An important component of the screening analysis is a statistical test of the null hypothesis H (0): explosion characteristics using empirical measurements of seismic energy (magnitudes). The established magnitude used for event size is the body-wave magnitude (denoted m (b)) computed from the initial segment of a seismic waveform. IDC screening analysis is applied to events with m (b) greater than 3.5. The Rayleigh wave magnitude (denoted M (S)) is a measure of later arriving surface wave energy. Magnitudes are measurements of seismic energy that include adjustments (physical correction model) for path and distance effects between event and station. Relative to m (b), earthquakes generally have a larger M (S) magnitude than explosions. This article proposes a hypothesis test (screening analysis) using M (S) and m (b) that expressly accounts for physical correction model inadequacy in the standard error of the test statistic. With this hypothesis test formulation, the 2009 Democratic Peoples Republic of Korea announced nuclear weapon test fails to reject the null hypothesis H (0): explosion characteristics. C1 [Anderson, D. N.; Patton, H. J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Taylor, S. R.] Rocky Mt Geophys, Los Alamos, NM USA. [Bonner, J. L.] Weston Geophys, Lexington, MA USA. [Selby, N. D.] AWE Blacknest, Reading, Berks, England. RP Anderson, DN (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM dand@lanl.gov FU National Nuclear Security Administration Office of Nonproliferation and Treaty Verification Research and Development; US Department of Energy by Los Alamos National Laboratory [DE-AC52-06NA24596] FX The authors acknowledge the support of Ms. Leslie A. Casey and the National Nuclear Security Administration Office of Nonproliferation and Treaty Verification Research and Development for funding this work. This work was completed under the auspices of the US Department of Energy by Los Alamos National Laboratory under contract DE-AC52-06NA24596. We thank Dr. Dmitry Storchak, Director of the International Seismological Centre, for his support in the acquisition of the data used in this article. We also thank Dr. Ronan Le Bras, Head of the Software Integration Unit at the International Data Centre, for providing important context in regard to event screening. NR 21 TC 2 Z9 2 U1 0 U2 6 PU SPRINGER BASEL AG PI BASEL PA PICASSOPLATZ 4, BASEL, 4052, SWITZERLAND SN 0033-4553 EI 1420-9136 J9 PURE APPL GEOPHYS JI Pure Appl. Geophys. PD MAR PY 2014 VL 171 IS 3-5 BP 537 EP 547 DI 10.1007/s00024-012-0627-9 PG 11 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AC7XE UT WOS:000332745900013 ER PT J AU Arrowsmith, S Norris, D Whitaker, R Anderson, D AF Arrowsmith, Stephen Norris, David Whitaker, Rod Anderson, Dale TI Sources of Error Model and Progress Metrics for Acoustic/Infrasonic Analysis: Location Estimation SO PURE AND APPLIED GEOPHYSICS LA English DT Article DE Infrasound; event location; nuclear explosion monitoring ID INFRASOUND; EXPLOSIONS; PROPAGATION; ARRAYS; GDOP AB How well can we locate events using infrasound? This question has obvious implications for the use of infrasound within the context of nuclear explosion monitoring, and can be used to inform decision makers on the capability and limitations of infrasound as a sensing modality. This paper attempts to answer this question in the context of regional networks by quantifying current capability and estimating future capability using an example regional network in Utah. This example is contrasted with a sparse network over a large geographical region (representative of the IMS network). As a metric, we utilize the location precision, a measure of the total geographic area in which an event may occur at a 95 % confidence level. Our results highlight the relative importance of backazimuth and arrival time constraints under different scenarios (dense vs. sparse networks), and quantify the precision capability of the Utah network under different scenarios. The final section of this paper outlines the research and development required to achieve the estimated future location precision capability. C1 [Arrowsmith, Stephen; Whitaker, Rod; Anderson, Dale] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Norris, David] Appl Phys Sci, Arlington, VA 22203 USA. RP Arrowsmith, S (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM sarrowsmith@gmail.com FU U.S. Department of Energy by Los Alamos National Laboratory FX We thank David Green for his comments and suggestions on a draft of this manuscript and two anonymous reviewers for their constructive feedback. We also thank Leslie Casey for proposing this manuscript and for funding this work. This work was completed under the auspices of the U.S. Department of Energy by Los Alamos National Laboratory. NR 29 TC 2 Z9 2 U1 1 U2 6 PU SPRINGER BASEL AG PI BASEL PA PICASSOPLATZ 4, BASEL, 4052, SWITZERLAND SN 0033-4553 EI 1420-9136 J9 PURE APPL GEOPHYS JI Pure Appl. Geophys. PD MAR PY 2014 VL 171 IS 3-5 BP 587 EP 597 DI 10.1007/s00024-012-0576-3 PG 11 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AC7XE UT WOS:000332745900017 ER PT J AU Carrigan, CR Sun, YW AF Carrigan, Charles R. Sun, Yunwei TI Detection of Noble Gas Radionuclides from an Underground Nuclear Explosion During a CTBT On-Site Inspection SO PURE AND APPLIED GEOPHYSICS LA English DT Article DE Noble gas; soil gas transport; CTBT; underground nuclear explosion; on-site inspection; soil gas sampling; radionuclide background ID TEST-BAN TREATY; FAULTS; TRANSPORT; RADON AB The development of a technically sound approach to detecting the subsurface release of noble gas radionuclides is a critical component of the on-site inspection (OSI) protocol under the Comprehensive Nuclear Test Ban Treaty. In this context, we are investigating a variety of technical challenges that have a significant bearing on policy development and technical guidance regarding the detection of noble gases and the creation of a technically justifiable OSI concept of operation. The work focuses on optimizing the ability to capture radioactive noble gases subject to the constraints of possible OSI scenarios. This focus results from recognizing the difficulty of detecting gas releases in geologic environments-a lesson we learned previously from the non-proliferation experiment (NPE). Most of our evaluations of a sampling or transport issue necessarily involve computer simulations. This is partly due to the lack of OSI-relevant field data, such as that provided by the NPE, and partly a result of the ability of computer-based models to test a range of geologic and atmospheric scenarios far beyond what could ever be studied by field experiments, making this approach very highly cost effective. We review some highlights of the transport and sampling issues we have investigated and complete the discussion of these issues with a description of a preliminary design for subsurface sampling that addresses some of the sampling challenges discussed here. C1 [Carrigan, Charles R.; Sun, Yunwei] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Carrigan, CR (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM carrigan1@LLNL.gov RI Sun, Yunwei/C-9751-2010 FU Office of Nuclear Verification, US Department of Energy [NA-243]; Office of Proliferation Detection, US Department of Energy [NA-221]; US Fulbright Program; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was funded by the Office of Nuclear Verification (NA-243) with additional support provided by the Office of Proliferation Detection (NA-221), US Department of Energy. C. R. CARRIGAN also thanks the US Fulbright Program for support while on a research sabbatical at Cambridge University during which some of the problems considered here were initially formulated. Some of our thoughts have benefited from recent work at the Nevada Nuclear Security Site with support from NSTec staff. Finally, we thank Jerry Sweeney (LLNL) and Guy Brachet (CEA, France) and two anonymous reviewers for their insightful and supportive comments. This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 25 TC 12 Z9 13 U1 3 U2 20 PU SPRINGER BASEL AG PI BASEL PA PICASSOPLATZ 4, BASEL, 4052, SWITZERLAND SN 0033-4553 EI 1420-9136 J9 PURE APPL GEOPHYS JI Pure Appl. Geophys. PD MAR PY 2014 VL 171 IS 3-5 BP 717 EP 734 DI 10.1007/s00024-012-0563-8 PG 18 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AC7XE UT WOS:000332745900027 ER PT J AU Sun, YW Carrigan, CR AF Sun, Yunwei Carrigan, Charles R. TI Modeling Noble Gas Transport and Detection for The Comprehensive Nuclear-Test-Ban Treaty SO PURE AND APPLIED GEOPHYSICS LA English DT Article DE Noble gas; transport; CTBT; detection; modeling ID POROUS-MEDIA; FRACTURED ROCK; EXPLOSIONS AB Detonation gases released by an underground nuclear test include trace amounts of Xe-133 and Ar-37. In the context of the Comprehensive Nuclear Test Ban Treaty, On Site Inspection Protocol, such gases released from or sampled at the soil surface could be used to indicate the occurrence of an explosion in violation of the treaty. To better estimate the levels of detectability from an underground nuclear test (UNE), we developed mathematical models to evaluate the processes of Xe-133 and Ar-37 transport in fractured rock. Two models are developed respectively for representing thermal and isothermal transport. When the thermal process becomes minor under the condition of low temperature and low liquid saturation, the subsurface system is described using an isothermal and single-gas-phase transport model and barometric pumping becomes the major driving force to deliver Xe-133 and Ar-37 to the ground surface. A thermal test is simulated using a nonisothermal and two-phase transport model. In the model, steam production and bubble expansion are the major processes driving noble gas components to ground surface. After the temperature in the chimney drops below boiling, barometric pumping takes over the role as the major transport process. C1 [Sun, Yunwei; Carrigan, Charles R.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Sun, YW (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM sun4@llnl.gov RI Sun, Yunwei/C-9751-2010 FU Office of Nuclear Verification, US Department of Energy [NA-243]; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The authors wish to thank anonymous reviewers and Chuanhe Lu and Jerry J. Sweeney at Lawrence Livermore National Laboratory for their careful review and helpful comments that led to an improved manuscript. This research was funded by Office of Nuclear Verification (NA-243), US Department of Energy and performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 39 TC 11 Z9 11 U1 2 U2 12 PU SPRINGER BASEL AG PI BASEL PA PICASSOPLATZ 4, BASEL, 4052, SWITZERLAND SN 0033-4553 EI 1420-9136 J9 PURE APPL GEOPHYS JI Pure Appl. Geophys. PD MAR PY 2014 VL 171 IS 3-5 BP 735 EP 750 DI 10.1007/s00024-012-0514-4 PG 16 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AC7XE UT WOS:000332745900028 ER PT J AU Henderson, JR Smith, MO Zelinski, ME AF Henderson, John R. Smith, Milton O. Zelinski, Michael E. TI Overhead Detection of Underground Nuclear Explosions by Multi-Spectral and Infrared Imaging SO PURE AND APPLIED GEOPHYSICS LA English DT Article DE Comprehensive Nuclear Test Ban Treaty; CTBT; remote sensing; multi-spectral imaging; infrared imaging; underground nuclear explosion; on-site inspection ID TESTS; CLASSIFICATION AB The Comprehensive Nuclear Test Ban Treaty allows for Multi-Spectral and Infrared Imaging from an aircraft and on the ground to help reduce the search area for an underground nuclear explosion from the initial 1,000 km(2). Satellite data, primarily from Landsat, have been used as a surrogate for aircraft data to investigate whether there are any multi-spectral features associated with the nuclear tests in Pakistan, India or North Korea. It is shown that there are multi-spectral observables on the ground that can be associated with the nominal surface ground zero for at least some of these explosions, and that these are likely to be found by measurements allowed by the treaty. C1 [Henderson, John R.; Smith, Milton O.; Zelinski, Michael E.] LLNL, Livermore, CA USA. RP Henderson, JR (reprint author), LLNL, Livermore, CA USA. EM henderson9@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 33 TC 1 Z9 1 U1 1 U2 6 PU SPRINGER BASEL AG PI BASEL PA PICASSOPLATZ 4, BASEL, 4052, SWITZERLAND SN 0033-4553 EI 1420-9136 J9 PURE APPL GEOPHYS JI Pure Appl. Geophys. PD MAR PY 2014 VL 171 IS 3-5 BP 763 EP 777 DI 10.1007/s00024-012-0574-5 PG 15 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AC7XE UT WOS:000332745900030 ER PT J AU Pavuk, M Olson, JR Sjodin, A Wolff, P Turner, WE Shelton, C Dutton, ND Bartell, S AF Pavuk, M. Olson, J. R. Sjoedin, A. Wolff, P. Turner, W. E. Shelton, C. Dutton, N. D. Bartell, S. CA Anniston Environm Hlth Res Consort TI Serum concentrations of polychlorinated biphenyls (PCBs) in participants of the Anniston Community Health Survey SO SCIENCE OF THE TOTAL ENVIRONMENT LA English DT Article DE Polychlorinated biphenyls; Anniston; Exposure ID PERSISTENT ORGANIC POLLUTANTS; NUTRITION EXAMINATION SURVEY; MULTIVARIATE STATISTICAL-ANALYSIS; POLYBROMINATED DIPHENYL ETHERS; NATIONAL-HEALTH; THYROID-HORMONES; BODY BURDEN; EXPOSURE; ASSOCIATION; ADULTS AB Serum concentrations of 35 ortho-substituted polychlorinated biphenyl congeners (PCBs) were measured in 765 adults from Anniston, Alabama, where PCBs were manufactured between 1929 and 1971. As part of the Anniston Community Health Survey (ACHS), demographic data, questionnaire information, and blood samples were collected from participants in 2005-2007. Forty-six percent of study participants were African-American, 70% were female, and the median age was 56 years. The median concentration of the sum of 35 PCB congeners (Sigma PCBs) was 528 ng/g lipid, with a 90th percentile of 2600 ng/g lipid, minimum of 17.0 ng/g lipid, and maximum of 27,337 ng/g lipid. The least square geometric mean Sigma PCBs was more than 25 times higher for African-American participants than for White participants (866 ng/ g lipid vs. 331 ng/g lipid); this difference did not change materially after adjustment for age, sex, body mass index (BMI) and current smoking. In spite of large differences in absolute PCB levels, relative contributions of individual congeners to Sigma PCBs were quite similar between race groups. Nevertheless, while percent contributions to Sigma PCBs for most of the most abundant penta- to heptachlorobiphenyls were higher among African-Americans, the percentages were higher in Whites for the lower-chlorinated PCBs 28 and 74 and for octa- to decachlorinated PCBs. No major differences were observed in geometric mean Sigma PCBs between women and men when adjusted for age, race, BMI and current smoking (516 ng/g lipid vs. 526 ng/g lipid). Principal component analysis revealed groups of co-varying congeners that appear to be determined by chlorine substitution patterns. These congener groupings were similar between ACHS participants and the National Health and Nutrition Examination Survey (NHANES) 2003-04 sample of the general United States population, despite ACHS participants having serum concentrations of Sigma FCBs two to three times higher than those in comparable age and race groups from NHANES. Published by Elsevier B.V. C1 [Pavuk, M.] Agcy Tox Subst & Dis Registry, Atlanta, GA USA. [Olson, J. R.] SUNY Buffalo, Buffalo, NY 14260 USA. [Sjoedin, A.; Turner, W. E.] Natl Ctr Environm Hlth, Atlanta, GA USA. [Wolff, P.] Univ Alabama Birmingham, Birmingham, AL USA. [Shelton, C.] Jacksonville State Univ, Jacksonville, AL USA. [Dutton, N. D.] Agcy Tox Subst & Dis Registry, Res Participat Program, Oak Ridge Inst Sci & Educ, Atlanta, GA USA. [Bartell, S.] Univ Calif Irvine, Irvine, CA USA. RP Pavuk, M (reprint author), Ctr Dis Control & Prevent, Agcy Tox Subst & Dis Registry, Div Toxicol & Human Hlth Sci, 4770 Buford Highway,Mail Stop F-57, Atlanta, GA 30341 USA. EM MPavuk@cdc.gov RI Sjodin, Andreas/F-2464-2010; OI Frumkin, Howard/0000-0001-7079-3534 FU Agency for Toxic Substances and Disease Registry [5U50TS473215] FX The data used for the present study were collected using a grant from the Agency for Toxic Substances and Disease Registry to Jacksonville State University, # 5U50TS473215. The findings and conclusions in this report are those of the author(s) and do not necessarily represent the views of the Agency for Toxic Substances and Disease Registry. NR 74 TC 8 Z9 9 U1 3 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0048-9697 EI 1879-1026 J9 SCI TOTAL ENVIRON JI Sci. Total Environ. PD MAR 1 PY 2014 VL 473 BP 286 EP 297 DI 10.1016/j.scitotenv.2013.12.041 PG 12 WC Environmental Sciences SC Environmental Sciences & Ecology GA AB6UB UT WOS:000331923900034 PM 24374590 ER PT J AU Chen, H Mustafi, SM LeMaster, DM Li, Z Heroux, A Li, HM Hernandez, G AF Chen, Hui Mustafi, Sourajit M. LeMaster, David M. Li, Zhong Heroux, Annie Li, Hongmin Hernandez, Griselda TI Crystal structure and conformational flexibility of the unligated FK506-binding protein FKBP12.6 SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID CARDIAC RYANODINE RECEPTOR; FK506 BINDING-PROTEINS; TGF-BETA RECEPTOR; HEART-FAILURE; SELECTIVE BINDING; NMR EXPERIMENTS; CALCINEURIN; COMPLEX; DOMAIN; RAPAMYCIN AB The primary known physiological function of FKBP12.6 involves its role in regulating the RyR2 isoform of ryanodine receptor Ca2+ channels in cardiac muscle, pancreatic beta islets and the central nervous system. With only a single previously reported X-ray structure of FKBP12.6, bound to the immunosuppressant rapamycin, structural inferences for this protein have been drawn from the more extensive studies of the homologous FKBP12. X-ray structures at 1.70 and 1.90 angstrom resolution from P2(1) and P3(1)21 crystal forms are reported for an unligated cysteine-free variant of FKBP12.6 which exhibit a notable diversity of conformations. In one monomer from the P3(1)21 crystal form, the aromatic ring of Phe59 at the base of the active site is rotated perpendicular to its typical orientation, generating a steric conflict for the immunosuppressant-binding mode. The peptide unit linking Gly89 and Val90 at the tip of the protein-recognition '80s loop' is flipped in the P2(1) crystal form. Unlike the >30 reported FKBP12 structures, the backbone conformation of this loop closely follows that of the first FKBP domain of FKBP51. The NMR resonances for 21 backbone amides of FKBP12.6 are doubled, corresponding to a slow conformational transition centered near the tip of the 80s loop, as recently reported for 31 amides of FKBP12. The comparative absence of doubling for residues along the opposite face of the active-site pocket in FKBP12.6 may in part reflect attenuated structural coupling owing to increased conformational plasticity around the Phe59 ring. C1 [Chen, Hui; Mustafi, Sourajit M.; LeMaster, David M.; Li, Zhong; Li, Hongmin; Hernandez, Griselda] New York State Dept Hlth, Wadsworth Ctr, Albany, NY 12201 USA. [LeMaster, David M.; Li, Hongmin; Hernandez, Griselda] SUNY Albany, Sch Publ Hlth, Dept Biomed Sci, Albany, NY 12201 USA. [Heroux, Annie] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Hernandez, G (reprint author), New York State Dept Hlth, Wadsworth Ctr, Empire State Plaza, Albany, NY 12201 USA. EM griselda@wadsworth.org OI Li, Hongmin/0000-0002-8684-5308 FU National Institutes of Health [GM 088214]; Office of Biological and Environmental Research of US Department of Energy; Office of Basic Energy Sciences of the US Department of Energy; National Center for Research Resources [P41RR012408]; National Institute of General Medical Sciences of the National Institutes of Health [P41GM103473] FX We acknowledge the use of the NMR facility, X-ray crystallography and Molecular Genetics cores at the Wadsworth Center as well as the NMR facility at the New York Structural Biology Center. One set of diffraction data for this study was measured on beamline X25 of the National Synchrotron Light Source. This work was supported in part by National Institutes of Health (GM 088214). Financial support for beamline X25 of the National Synchrotron Light Source comes principally from the Offices of Biological and Environmental Research and of Basic Energy Sciences of the US Department of Energy, and from the National Center for Research Resources (P41RR012408) and the National Institute of General Medical Sciences (P41GM103473) of the National Institutes of Health. NR 60 TC 3 Z9 3 U1 3 U2 10 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1399-0047 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD MAR PY 2014 VL 70 BP 636 EP 646 DI 10.1107/S1399004713032112 PN 3 PG 11 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA AC3HC UT WOS:000332406600003 PM 24598733 ER PT J AU Song, JX Xu, T Gordin, ML Zhu, PY Lv, DP Jiang, YB Chen, YS Duan, YH Wang, DH AF Song, Jiangxuan Xu, Terrence Gordin, Mikhail L. Zhu, Pengyu Lv, Dongping Jiang, Ying-Bing Chen, Yongsheng Duan, Yuhua Wang, Donghai TI Nitrogen- Doped Mesoporous Carbon Promoted Chemical Adsorption of Sulfur and Fabrication of High- Areal- Capacity Sulfur Cathode with Exceptional Cycling Stability for Lithium- Sulfur Batteries SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article DE cathodes; nitrogen-doped mesoporous carbon; lithium-sulfur batteries; areal capacity; chemical adsorption ID LI-S BATTERIES; ION BATTERIES; ELECTROCHEMICAL PERFORMANCE; LIQUID ELECTROLYTE; RATE CAPABILITY; GRAPHENE OXIDE; NANOTUBES; COMPOSITES; INTERLAYER; STORAGE AB As one important component of sulfur cathodes, the carbon host plays a key role in the electrochemical performance of lithium-sulfur (Li-S) batteries. In this paper, a mesoporous nitrogen-doped carbon (MPNC)-sulfur nanocomposite is reported as a novel cathode for advanced Li-S batteries. The nitrogen doping in the MPNC material can effectively promote chemical adsorption between sulfur atoms and oxygen functional groups on the carbon, as verified by X-ray absorption near edge structure spectroscopy, and the mechanism by which nitrogen enables the behavior is further revealed by density functional theory calculations. Based on the advantages of the porous structure and nitrogen doping, the MPNC-sulfur cathodes show excellent cycling stability (95% retention within 100 cycles) at a high current density of 0.7 mAh cm(-2) with a high sulfur loading (4.2 mg S cm(-2)) and a sulfur content (70 wt%). A high areal capacity (approximate to 3.3 mAh cm(-2)) is demonstrated by using the novel cathode, which is crucial for the practical application of Li-S batteries. It is believed that the important role of nitrogen doping promoted chemical adsorption can be extended for development of other high performance carbon-sulfur composite cathodes for Li-S batteries. C1 [Song, Jiangxuan; Xu, Terrence; Gordin, Mikhail L.; Lv, Dongping; Wang, Donghai] Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. [Zhu, Pengyu; Chen, Yongsheng] Penn State Univ, EMS Energy Inst, University Pk, PA 16802 USA. [Zhu, Pengyu; Chen, Yongsheng] Penn State Univ, Dept Energy & Mineral Engn, University Pk, PA 16802 USA. [Jiang, Ying-Bing] Univ New Mexico, Ctr Microengineered Mat, Albuquerque, NM 87131 USA. [Duan, Yuhua] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Song, JX (reprint author), Penn State Univ, Dept Mech & Nucl Engn, University Pk, PA 16802 USA. EM dwang@psu.edu RI Wang, Donghai/L-1150-2013; Xu, Terrence/M-8741-2014; Chen, Yongsheng/P-4800-2014; Duan, Yuhua/D-6072-2011; Song, Jiangxuan/G-8536-2015 OI Wang, Donghai/0000-0001-7261-8510; Xu, Terrence/0000-0002-9385-6881; Duan, Yuhua/0000-0001-7447-0142; FU Office of Vehicle Technologies of the U.S. Department of Energy [DE-EE0005475] FX J.S. and T.X. contributed equally to this work. 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-EE0005475. The authors thank Dr. Daniel Fischer and Dr. Cherno Jaye for their help with the XANES measurements on U7A Beam-line at National Synchrotron Light Source. NR 58 TC 284 Z9 285 U1 113 U2 747 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD MAR PY 2014 VL 24 IS 9 BP 1243 EP 1250 DI 10.1002/adfm.201302631 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA AC2NC UT WOS:000332337000007 ER PT J AU Kang, M Perfect, E Cheng, CL Bilheux, HZ Lee, J Horita, J Warren, JM AF Kang, M. Perfect, E. Cheng, C. L. Bilheux, H. Z. Lee, J. Horita, J. Warren, J. M. TI Multiple pixel-scale soil water retention curves quantified by neutron radiography SO ADVANCES IN WATER RESOURCES LA English DT Article DE Point water retention curves; Neutron radiography; Quantification ID HETEROGENEOUS POROUS-MEDIA; TOMOGRAPHY; FLOW; DRAINAGE; AVERAGE AB The soil water retention function is needed for modeling multiphase flow in porous media. Traditional techniques for measuring the soil water retention function, such as the hanging water column or pressure cell methods, yield average water retention data which have to be modeled using inverse procedures to extract relevant point parameters. In this study, we have developed a technique for directly measuring multiple point (pixel-scale) water retention curves for a repacked sand material using 2-D neutron radiography. Neutron radiographic images were obtained under quasi-equilibrium conditions at nine imposed basal matric potentials during monotonic drying of Flint sand at the High Flux Isotope Reactor (HFIR) Cold Guide (CG) 1D beamline at Oak Ridge National Laboratory. All of the images were normalized with respect to an image of the oven dry sand column. Volumetric water contents were computed on a pixel by pixel basis using an empirical calibration equation after taking into account beam hardening and geometric corrections. Corresponding matric potentials were calculated from the imposed basal matric potential and pixel elevations. Volumetric water content and matric potential data pairs corresponding to 120 selected pixels were used to construct 120 point water retention curves. Each curve was fitted to the Brooks and Corey equation using segmented non-linear regression in SAS. A 98.5% convergence rate was achieved resulting in 115 estimates of the four Brooks and Corey parameters. A single Brooks and Corey point water retention function was constructed for Flint sand using the median values of these parameter estimates. This curve corresponded closely with the point Brooks and Corey function inversely extracted from the average water retention data using TrueCell. Forward numerical simulations performed using HYDRUS 1-D showed that the cumulative outflows predicted using the point Brooks and Corey functions from both the direct (neutron radiography) and inverse (TrueCell) methods were in good agreement with independent measurements of cumulative outflow determined with a transducer. Our results indicate that neutron radiography can be used to quantify the point water retention curve of homogeneous mineral particles. Further research will be needed to extend this approach to more heterogeneous porous media. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Kang, M.; Perfect, E.; Cheng, C. L.] Univ Tennessee, Dept Earth & Planetary Sci, Knoxville, TN 37996 USA. [Kang, M.; Bilheux, H. Z.] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN USA. [Lee, J.] Univ Tennessee, Dept Biosyst Engn & Soil Sci, Knoxville, TN USA. [Horita, J.] Texas Tech Univ, Dept Geosci, Lubbock, TX 79409 USA. [Cheng, C. L.; Warren, J. M.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Kang, M (reprint author), Univ Tennessee, Dept Earth & Planetary Sci, Knoxville, TN 37996 USA. EM mkang9@utk.edu RI Warren, Jeffrey/B-9375-2012; Bilheux, Hassina/H-4289-2012; Cheng, Chu-Lin/G-3471-2013 OI Warren, Jeffrey/0000-0002-0680-4697; Bilheux, Hassina/0000-0001-8574-2449; Cheng, Chu-Lin/0000-0002-1900-463X FU Laboratory Directed Research and Development (LDRD) Program of Oak Ridge National Laboratory; Joint Directed Research and Development (JDRD) Program of the University of Tennessee UT-ORNL Science Alliance; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy FX This Research was supported by the Laboratory Directed Research and Development (LDRD) Program of Oak Ridge National Laboratory and the Joint Directed Research and Development (JDRD) Program of the University of Tennessee UT-ORNL Science Alliance. The Authors thank Sophie Voisin, Computational Sciences and Engineering Division, ORNL for her contributions to the development of the MATLAB image analysis code. The Authors also acknowledge the assistance of various HFIR support groups and individuals, including the Machine Shop, the Instrument Development Group, Lakeisha Walker, Jaimie Werner, and Brent Taylor. This Research at Oak Ridge National Laboratory's High Flux Isotope Reactor was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy, which is managed by UT-Battelle, LLC. NR 45 TC 1 Z9 1 U1 2 U2 29 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0309-1708 EI 1872-9657 J9 ADV WATER RESOUR JI Adv. Water Resour. PD MAR PY 2014 VL 65 BP 1 EP 8 DI 10.1016/j.advwatres.2013.12.004 PG 8 WC Water Resources SC Water Resources GA AC3CL UT WOS:000332392500001 ER PT J AU Jasrotia, P Green, SJ Canion, A Overholt, WA Prakash, O Wafula, D Hubbard, D Watson, DB Schadt, CW Brooks, SC Kostka, JE AF Jasrotia, Puja Green, Stefan J. Canion, Andy Overholt, Will A. Prakash, Om Wafula, Denis Hubbard, Daniela Watson, David B. Schadt, Christopher W. Brooks, Scott C. Kostka, Joel E. TI Watershed-Scale Fungal Community Characterization along a pH Gradient in a Subsurface Environment Cocontaminated with Uranium and Nitrate SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID NITROUS-OXIDE PRODUCTION; CONTAMINATED GROUNDWATER; DENITRIFYING BACTERIA; MICROBIAL COMMUNITIES; FUSARIUM-OXYSPORUM; CYTOCHROME P450NOR; LANDFILL LEACHATE; DENITRIFICATION; DIVERSITY; NITRITE AB The objective of this study was to characterize fungal communities in a subsurface environment cocontaminated with uranium and nitrate at the watershed scale and to determine the potential contribution of fungi to contaminant transformation (nitrate attenuation). The abundance, distribution, and diversity of fungi in subsurface groundwater samples were determined using quantitative and semiquantitative molecular techniques, including quantitative PCR of eukaryotic small-subunit rRNA genes and pyrosequencing of fungal internal transcribed spacer (ITS) regions. Potential bacterial and fungal denitrification was assessed in sediment-groundwater slurries amended with antimicrobial compounds and in fungal pure cultures isolated from the subsurface. Our results demonstrate that subsurface fungal communities are dominated by members of the phylum Ascomycota, and a pronounced shift in fungal community composition occurs across the groundwater pH gradient at the field site, with lower diversity observed under acidic (pH <4.5) conditions. Fungal isolates recovered from subsurface sediments, including cultures of the genus Coniochaeta, which were detected in abundance in pyrosequence libraries of site groundwater samples, were shown to reduce nitrate to nitrous oxide. Denitrifying fungal isolates recovered from the site were classified and found to be distributed broadly within the phylum Ascomycota and within a single genus of the Basidiomycota. Potential denitrification rate assays with sediment-groundwater slurries showed the potential for subsurface fungi to reduce nitrate to nitrous oxide under in situ acidic pH conditions. C1 [Jasrotia, Puja] Florida State Univ, Dept Earth Ocean & Atmospher Sci, Tallahassee, FL 32306 USA. [Green, Stefan J.] Univ Illinois, Res Resource Ctr, DNA Serv Facil, Chicago, IL USA. [Green, Stefan J.] Univ Illinois, Dept Biol Sci, Chicago, IL 60680 USA. [Overholt, Will A.; Kostka, Joel E.] Georgia Inst Technol, Sch Biol, Atlanta, GA 30332 USA. [Overholt, Will A.; Kostka, Joel E.] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA. [Prakash, Om] Natl Ctr Cell Sci, Pune, Maharashtra, India. [Wafula, Denis] UNM Coll Pharm, Dept Pharmaceut Sci, Albuquerque, NM USA. [Hubbard, Daniela] Sequenom Inc, San Diego, CA USA. [Watson, David B.; Schadt, Christopher W.; Brooks, Scott C.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. RP Kostka, JE (reprint author), Georgia Inst Technol, Sch Biol, Atlanta, GA 30332 USA. EM joel.kostka@biology.gatech.edu RI Canion, Andy/Q-2397-2015; Brooks, Scott/B-9439-2012; Watson, David/C-3256-2016; Schadt, Christopher/B-7143-2008; OI Canion, Andy/0000-0003-1604-7631; Brooks, Scott/0000-0002-8437-9788; Watson, David/0000-0002-4972-4136; Schadt, Christopher/0000-0001-8759-2448; Green, Stefan/0000-0003-2781-359X FU Office of Science (Biological and Environmental Research [BER]), U.S. Department of Energy [DEFG02-07ER64373, -97ER62469, -97ER64398]; Oak Ridge Integrated Field Research Challenge; UT-Battelle LLC [DE-AC05-00OR22725] FX This research was supported by the Office of Science (Biological and Environmental Research [BER]), U.S. Department of Energy, grants DEFG02-07ER64373, -97ER62469, and -97ER64398 and by the Oak Ridge Integrated Field Research Challenge, operated by the Environmental Sciences Division, Oak Ridge National Laboratory (ORNL). ORNL is managed by UT-Battelle LLC for the U.S. Department of Energy under contract no. DE-AC05-00OR22725. NR 76 TC 5 Z9 5 U1 3 U2 40 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD MAR PY 2014 VL 80 IS 6 BP 1810 EP 1820 DI 10.1128/AEM.03423-13 PG 11 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA AB8FO UT WOS:000332025800001 PM 24389927 ER PT J AU Singaravelu, S Klopf, JM Schriver, KE Park, HK Kelley, MJ Haglund, RF AF Singaravelu, S. Klopf, J. M. Schriver, K. E. Park, H. K. Kelley, M. J. Haglund, R. F., Jr. TI Resonant infrared pulsed laser deposition of cyclic olefin copolymer films SO APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING LA English DT Article ID ABLATION; MECHANISMS AB Barrier materials on thin-film organic optoelectronic devices inhibit the uptake of water, oxygen, or environmental contaminants, and fabricating them is a major challenge. By definition, these barrier layers must be insoluble, so the usual routes to polymer- or organic-film deposition by spin coating are not problematic. In this paper, we report comparative studies of pulsed laser deposition of cyclic olefin copolymer (COC), an excellent moisture barrier and a model system for a larger class of protective materials that are potentially useful in organic electronic devices, such as organic light-emitting diodes (OLEDs). Thin films of COC were deposited by resonant and nonresonant infrared pulsed laser ablation of solid COC targets, using a free-electron laser tuned to the 3.43 mu m C-H stretch of the COC, and a high-intensity nanosecond Q-switched laser operated at 1064 nm. The ablation craters and deposited films were characterized by scanning-electron microscopy, Fourier-transform infrared spectrometry, atomic-force microscopy, high-resolution optical microscopy, and surface profilometry. Thermal-diffusion calculations were performed to determine the temperature rise induced in the film at the C-H resonant wavelength. The results show that resonant infrared pulsed laser deposition (RIR-PLD) is an effective, low-temperature thin-film deposition technique that leads to evaporation and deposition of intact molecules in homogeneous, smooth films. Nonresonant PLD, on the other hand, leads to photothermal damage, degradation of the COC polymers, and to the deposition only of particulates. C1 [Singaravelu, S.] Old Dominion Univ, Dept Phys, Norfolk, VA 23529 USA. [Singaravelu, S.; Klopf, J. M.; Kelley, M. J.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Schriver, K. E.; Haglund, R. F., Jr.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Singaravelu, S.; Schriver, K. E.; Park, H. K.] AppliFlex LLC, Nashville, TN 37211 USA. [Kelley, M. J.] Coll William & Mary, Dept Appl Sci, Williamsburg, VA 23185 USA. RP Singaravelu, S (reprint author), Old Dominion Univ, Dept Phys, Norfolk, VA 23529 USA. EM rajaodu@gmail.com FU National Science Foundation Phase 2 STTR program [IIP-0924043]; Office of Naval Research; Army Night Vision Laboratory; Air Force Research Laboratory; Joint Technology Office; Commonwealth of Virginia; US Department of Energy [DE-AC05-060R23177] FX We thank Professor D. M. Bubb (Rutgers University-Camden) for the temperature-dependent IR absorption measurements and Professor D. Kranbuehl (College of William and Mary) for measuring the specific heat of the COC samples. Research at AppliFlex LLC and at Vanderbilt University is supported by the National Science Foundation Phase 2 STTR program (IIP-0924043). The Jefferson Lab FEL is supported by the Office of Naval Research, the Army Night Vision Laboratory, the Air Force Research Laboratory, the Joint Technology Office, the Commonwealth of Virginia, and by the US Department of Energy, under contract No. DE-AC05-060R23177. NR 21 TC 0 Z9 0 U1 2 U2 15 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0947-8396 EI 1432-0630 J9 APPL PHYS A-MATER JI Appl. Phys. A-Mater. Sci. Process. PD MAR PY 2014 VL 114 IS 4 BP 1285 EP 1293 DI 10.1007/s00339-013-7933-7 PG 9 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA AC3LW UT WOS:000332421700037 ER PT J AU Aasi, J Abadie, J Abbott, BP Abbott, R Abbott, T Abernathy, MR Accadia, T Acernese, F Adams, C Adams, T Adhikari, RX Affeldt, C Agathos, M Aggarwal, N Aguiar, OD Ajith, P Allen, B Allocca, A Ceron, EA Amariutei, D Anderson, RA Anderson, SB Anderson, WG Arai, K Araya, MC Arceneaux, C Areeda, J Ast, S Aston, SM Astone, P Aufmuth, P Aulbert, C Austin, L Aylott, BE Babak, S Baker, PT Ballardin, G Ballmer, SW Barayoga, JC Barker, D Barnum, SH Barone, F Barr, B Barsotti, L Barsuglia, M Barton, MA Bartos, I Bassiri, R Basti, A Batch, J Bauchrowitz, J Bauer, TS Bebronne, M Behnke, B Bejger, M Beker, MG Bell, AS Bell, C Belopolski, I Bergmann, G Berliner, JM Bertolini, A Bessis, D Betzwieser, J Beyersdorf, PT Beyersdorf, PT Bilenko, IA Billingsley, G Birch, J Bitossi, M Bizouard, MA Black, E Blackburn, JK Blackburn, L Blair, D Blom, M Bock, O Bodiya, TP Boer, M Bogan, C Bond, C Bondu, F Bonelli, L Bonnand, R Bork, R Born, M Bose, S Bosi, L Bowers, J Bradaschia, C Brady, PR Braginsky, VB Branchesi, M Brannen, CA Brau, JE Breyer, J Briant, T Bridges, DO Brillet, A Brinkmann, M Brisson, V Britzger, M Brooks, AF Brown, DA Brown, DD Bruckner, F Bulik, T Bulten, HJ Buonanno, A Buskulic, D Buy, C Byer, RL Cadonati, L Cagnoli, G Bustillo, JC Calloni, E Camp, JB Campsie, P Cannon, KC Canuel, B Cao, J Capano, CD Carbognani, F Carbone, L Caride, S Castiglia, A Caudill, S Cavaglia, M Cavalier, F Cavalieri, R Cella, G Cepeda, C Cesarini, E Chakraborty, R Chalermsongsak, T Chao, S Charlton, P Chassande-Mottin, E Chen, X Chen, Y Chincarini, A Chiummo, A Cho, HS Chow, J Christensen, N Chu, Q Chua, SSY Chung, S Ciani, G Clara, F Clark, DE Clark, JA Cleva, F Coccia, E Cohadon, PF Colla, A Colombini, M Constancio, M Conte, A Conte, R Cook, D Corbitt, TR Cordier, M Cornish, N Corsi, A 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Fournier, JD Franco, S Frasca, S Frasconi, F Frede, M Frei, M Frei, Z Freise, A Frey, R Fricke, TT Fritschel, P Frolov, VV Fujimoto, MK Fulda, P Fyffe, M Gair, J Gammaitoni, L Garcia, J Garufi, F Gehrels, N Gemme, G Genin, E Gennai, A Gergely, L Ghosh, S Giaime, JA Giampanis, S Giardina, KD Giazotto, A Gil-Casanova, S Gill, C Gleason, J Goetz, E Goetz, R Gondan, L Gonzalez, G Gordon, N Gorodetsky, ML Gossan, S Gossler, S Gouaty, R Graef, C Graff, PB Granata, M Grant, A Gras, S Gray, C Greenhalgh, RJS Gretarsson, AM Griffo, C Grote, H Grover, K Grunewald, S Guidi, GM Guido, C Gushwa, KE Gustafson, EK Gustafson, R Hall, B Hall, E Hammer, D Hammond, G Hanke, M Hanks, J Hanna, C Hanson, J Harms, J Harry, GM Harry, IW Harstad, ED Hartman, MT Haughian, K Hayama, K Heefner, J Heidmann, A Heintze, M Heitmann, H Hello, P Hemming, G Hendry, M Heng, IS Heptonstall, AW Heurs, M Hild, S Hoak, D Hodge, KA Holt, K Holtrop, M Hong, T Hooper, S Horrom, T Hosken, DJ Hough, J Howell, EJ Hu, Y Hua, Z 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CA LIGO Sci Collaboration Virgo Collaboration TI FIRST SEARCHES FOR OPTICAL COUNTERPARTS TO GRAVITATIONAL-WAVE CANDIDATE EVENTS SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Article DE binaries: close; catalogs; gravitational waves; stars: neutron; surveys ID GAMMA-RAY BURSTS; COMPACT OBJECT MERGERS; FOLLOW-UP OBSERVATIONS; NEUTRON-STAR MERGERS; 28 FEBRUARY 1997; ELECTROMAGNETIC COUNTERPARTS; LIGHT CURVES; IMAGE SUBTRACTION; SWIFT-ERA; RADIO OBSERVATIONS AB During the Laser Interferometer Gravitational-wave Observatory and Virgo joint science runs in 2009-2010, gravitational wave (GW) data from three interferometer detectors were analyzed within minutes to select GW candidate events and infer their apparent sky positions. Target coordinates were transmitted to several telescopes for follow-up observations aimed at the detection of an associated optical transient. Images were obtained for eight such GW candidates. We present the methods used to analyze the image data as well as the transient search results. No optical transient was identified with a convincing association with any of these candidates, and none of the GW triggers showed strong evidence for being astrophysical in nature. We compare the sensitivities of these observations to several model light curves from possible sources of interest, and discuss prospects for future joint GW-optical observations of this type. C1 [Aasi, J.; Abadie, J.; Abbott, B. P.; Abbott, R.; Abernathy, M. R.; Adhikari, R. X.; Ajith, P.; Anderson, R. A.; Anderson, S. B.; Arai, K.; Araya, M. C.; Austin, L.; Barayoga, J. C.; Billingsley, G.; Black, E.; Blackburn, J. K.; Bork, R.; Brooks, A. F.; Cepeda, C.; Chakraborty, R.; Chalermsongsak, T.; Coyne, D. C.; Daudert, B.; Dergachev, V.; Driggers, J. C.; Ehrens, P.; Etzel, T.; Ferrante, I.; Fotopoulos, N.; Gushwa, K. E.; Gustafson, E. K.; Hall, E.; Harms, J.; Heefner, J.; Heptonstall, A. W.; Hodge, K. 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Science and Technology Facilities Council of the United Kingdom; Max-Planck-Society; State of Niedersachsen/Germany; Italian Istituto Nazionale di Fisica Nucleare; French Centre National de la Recherche Scientifique for the construction and operation of the Virgo detector; Australian Research Council; International Science Linkages program of the Commonwealth of Australia; Council of Scientific and Industrial Research of India; Istituto Nazionale di Fisica Nucleare of Italy; Spanish Ministerio de Economia y Competitividad; Conselleria d'Economia Hisenda i Innovacio of the Govern de les Illes Balears; Foundation for Fundamental Research on Matter; Netherlands Organisation for Scientific Research; Polish Ministry of Science and Higher Education; FOCUS Programme of Foundation for Polish Science; Royal Society; Scottish Funding Council; Scottish Universities Physics Alliance; National Aeronautics and Space Administration; OTKA of Hungary; Lyon Institute of Origins (LIO); National Research Foundation of Korea Industry Canada; Province of Ontario through the Ministry of Economic Development and Innovation; National Science and Engineering Research Council Canada; Carnegie Trust; Leverhulme Trust; David and Lucile Packard Foundation; Research Corporation, FIRB (Italian Ministry of Education, University and Research) [RBFR12PM1F]; Alfred P. Sloan Foundation; UK Science and Technology Facilities Council FX The authors gratefully acknowledge the support of the United States National Science Foundation for the construction and operation of the LIGO Laboratory, the Science and Technology Facilities Council of the United Kingdom, the Max-Planck-Society, and the State of Niedersachsen/Germany for support of the construction and operation of the GEO600 detector, and the Italian Istituto Nazionale di Fisica Nucleare and the French Centre National de la Recherche Scientifique for the construction and operation of the Virgo detector. The authors also gratefully acknowledge the support of the research by these agencies and by the Australian Research Council, the International Science Linkages program of the Commonwealth of Australia, the Council of Scientific and Industrial Research of India, the Istituto Nazionale di Fisica Nucleare of Italy, the Spanish Ministerio de Economia y Competitividad, the Conselleria d'Economia Hisenda i Innovacio of the Govern de les Illes Balears, the Foundation for Fundamental Research on Matter supported by the Netherlands Organisation for Scientific Research, the Polish Ministry of Science and Higher Education, the FOCUS Programme of Foundation for Polish Science, the Royal Society, the Scottish Funding Council, the Scottish Universities Physics Alliance, The National Aeronautics and Space Administration, OTKA of Hungary, the Lyon Institute of Origins (LIO), the National Research Foundation of Korea, Industry Canada and the Province of Ontario through the Ministry of Economic Development and Innovation, the National Science and Engineering Research Council Canada, the Carnegie Trust, the Leverhulme Trust, the David and Lucile Packard Foundation, the Research Corporation, FIRB 2012 Project RBFR12PM1F (Italian Ministry of Education, University and Research), and the Alfred P. Sloan Foundation. This work is based on results partially obtained at the ESO observatory, La Silla. The Liverpool Telescope is operated on the island of La Palma by Liverpool John Moores University in the Spanish Observatorio del Roque de los Muchachos of the Instituto de Astrofisica de Canarias with financial support from the UK Science and Technology Facilities Council. This document has been assigned the identifier LIGO-P1200171-v19. NR 109 TC 34 Z9 32 U1 5 U2 93 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0067-0049 EI 1538-4365 J9 ASTROPHYS J SUPPL S JI Astrophys. J. Suppl. Ser. PD MAR PY 2014 VL 211 IS 1 AR 7 DI 10.1088/0067-0049/211/1/7 PG 25 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AB9DN UT WOS:000332090200007 ER PT J AU Trabert, E Beiersdorfer, P Brickhouse, NS Golub, L AF Traebert, Elmar Beiersdorfer, Peter Brickhouse, Nancy S. Golub, Leon TI HIGH-RESOLUTION LABORATORY SPECTRA ON THE lambda 131 CHANNEL OF THE AIA INSTRUMENT ON BOARD THE SOLAR DYNAMICS OBSERVATORY SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Article DE atomic data; methods: laboratory: atomic; Sun: corona; Sun: UV radiation; techniques: spectroscopic ID EXTREME-ULTRAVIOLET REGION; ATOMIC DATABASE; EMISSION-LINES; FE-VII; GRATING SPECTROMETER; X-RAY; CHIANTI; ANGSTROM; ELEMENTS; SDO/AIA AB Extreme ultraviolet spectra of C, O, F, Ne, Si, S, Ar, Ca, Fe, and Ni have been excited in an electron beam ion trap and studied with much higher resolution than available on Solar Dynamics Observatory (SDO) in order to ascertain the spectral composition of the SDO observations. We presently show our findings in the wavelength range 124-134 angstrom, which encompasses the lambda 131 observation channel of the Atmospheric Imaging Assembly (AIA). While the general interpretation of the spectral composition of the lambda 131 Fe channel is being corroborated, a number of new lines have been observed that might help to improve the diagnostic value of the SDO/AIA data. C1 [Traebert, Elmar; Beiersdorfer, Peter] Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94550 USA. [Traebert, Elmar] Ruhr Univ Bochum, Astron Inst, D-44801 Bochum, Germany. [Brickhouse, Nancy S.; Golub, Leon] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. RP Trabert, E (reprint author), Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94550 USA. FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Solar and Heliospherical Physics Program of the National Aeronautics and Space Administration [NNH10AN31I]; German Research Association (DFG) [Tr171/18, Tr171/19] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and was supported by the Solar and Heliospherical Physics Program of the National Aeronautics and Space Administration under award NNH10AN31I. E. T. acknowledges support from the German Research Association (DFG) (grants Tr171/18 and Tr171/19). NR 26 TC 5 Z9 5 U1 1 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0067-0049 EI 1538-4365 J9 ASTROPHYS J SUPPL S JI Astrophys. J. Suppl. Ser. PD MAR PY 2014 VL 211 IS 1 AR 14 DI 10.1088/0067-0049/211/1/14 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AB9DN UT WOS:000332090200014 ER PT J AU Gulati, S Stubblefield, AA Hanlon, JS Spier, CL Stringfellow, WT AF Gulati, Shelly Stubblefield, Ashley A. Hanlon, Jeremy S. Spier, Chelsea L. Stringfellow, William T. TI Use of continuous and grab sample data for calculating total maximum daily load (TMDL) in agricultural watersheds SO CHEMOSPHERE LA English DT Article DE Diffuse pollution; Chemometrics; Salinity; Real-time data; Sustainability; Agricultural ecosystems ID TRIBUTARY MASS LOADS; SAN-JOAQUIN RIVER; ORGANIC POLLUTANTS; STRATEGIES; BASIN; NITROGEN; STREAMS; OXYGEN AB Measuring the discharge of diffuse pollution from agricultural watersheds presents unique challenges. Flows in agricultural watersheds, particularly in Mediterranean climates, can be predominately irrigation runoff and exhibit large diurnal fluctuation in both volume and concentration. Flow and pollutant concentrations in these smaller watersheds dominated by human activity do not conform to a normal distribution and it is not clear if parametric methods are appropriate or accurate for load calculations. The objective of this study was to compare the accuracy of five load estimation methods to calculate pollutant loads from agricultural watersheds. Calculation of loads using results from discrete (grab) samples was compared with the true-load computed using in situ continuous monitoring measurements. A new method is introduced that uses a non-parametric measure of central tendency (the median) to calculate loads (median-load). The median-load method was compared to more commonly used parametric estimation methods which rely on using the mean as a measure of central tendency (mean-load and daily-load), a method that utilizes the total flow volume (volume-load), and a method that uses measure of flow at the time of sampling (instantaneous-load). Using measurements from ten watersheds in the San Joaquin Valley of California, the average percent error compared to the true-load for total dissolved solids (TDS) was 7.3% for the median-load, 6.9% for the mean-load, 6.9% for the volume-load, 16.9% for the instantaneous-load, and 18.7% for the daily-load methods of calculation. The results of this study show that parametric methods are surprisingly accurate, even for data that have starkly non-normal distributions and are highly skewed. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Gulati, Shelly; Stubblefield, Ashley A.; Hanlon, Jeremy S.; Spier, Chelsea L.; Stringfellow, William T.] Univ Pacific, Sch Engn & Comp Sci, Ecol Engn Res Program, Stockton, CA 95211 USA. [Hanlon, Jeremy S.; Stringfellow, William T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Geochem, Div Earth Sci, Berkeley, CA 94720 USA. RP Stringfellow, WT (reprint author), Univ Pacific, Sch Engn & Comp Sci, Ecol Engn Res Program, 3601 Pacific Ave, Stockton, CA 95211 USA. EM wstringfellow@lbl.gov RI Stringfellow, William/O-4389-2015 OI Stringfellow, William/0000-0003-3189-5604 FU California Department of Fish and Wildlife [E0883006] FX This project was funded by the California Department of Fish and Wildlife (Grant Agreement No. E0883006). We are also grateful for the assistance from the San Joaquin Valley Drainage Authority. NR 27 TC 2 Z9 4 U1 1 U2 25 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0045-6535 EI 1879-1298 J9 CHEMOSPHERE JI Chemosphere PD MAR PY 2014 VL 99 BP 81 EP 88 DI 10.1016/j.chemosphere.2013.10.026 PG 8 WC Environmental Sciences SC Environmental Sciences & Ecology GA AB9UN UT WOS:000332141300009 PM 24238914 ER PT J AU Lu, CS Liu, YG Niu, SJ AF Lu, Chun-Song Liu, Yan-Gang Niu, Sheng-Jie TI Entrainment-mixing parameterization in shallow cumuli and effects of secondary mixing events SO CHINESE SCIENCE BULLETIN LA English DT Article DE Entrainment mixing; Cumulus; Homogeneous/inhomogeneous mixing; Observation; Model ID BOUNDARY-LAYER CLOUDS; CONVECTIVE CLOUDS; SPECTRAL EVOLUTION; MICROPHYSICS; STRATOCUMULUS; SIMULATION; MODEL AB Parameterization of entrainment-mixing processes in cumulus clouds is critical to improve cloud parameterization in models, but is still at its infancy. For this purpose, we have lately developed a formulation to represent a microphysical measure defined as homogeneous mixing degree in terms of a dynamical measure defined as transition scale numbers, and demonstrated the formulation with measurements from stratocumulus clouds. Here, we extend the previous work by examining data from observed cumulus clouds and find positive correlations between the homogeneous mixing degree and transition scale numbers. These results are similar to those in the stratocumulus clouds, but proved valid for the first time in observed cumulus clouds. The empirical relationships can be used to parameterize entrainment-mixing processes in two-moment microphysical schemes. Further examined are the effects of secondary mixing events on the relationships between homogeneous mixing degree and transition scale numbers with the explicit mixing parcel model. The secondary mixing events are found to be at least partially responsible for the larger scatter in the above positive correlations based on observations than that in the previous results based on numerical simulations without considering secondary mixing events. C1 [Lu, Chun-Song] Nanjing Univ Informat Sci & Technol, Collaborat Innovat Ctr Forecast & Evaluat Meteoro, Key Lab Meteorol Disaster Minist Educ, Key Lab Aerosol Cloud Precipitat China Meteorol A, Nanjing 210044, Jiangsu, Peoples R China. [Lu, Chun-Song; Liu, Yan-Gang] Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. [Lu, Chun-Song] Chinese Acad Sci, Natl Key Lab Numer Modeling Atmospher Sci & Geoph, Beijing 100029, Peoples R China. [Niu, Sheng-Jie] Nanjing Univ Informat Sci & Technol, Collaborat Innovat Ctr Forecast & Evaluat Meteoro, Key Lab Aerosol Cloud Precipitat China Meteorol A, Nanjing 210044, Jiangsu, Peoples R China. RP Lu, CS (reprint author), Nanjing Univ Informat Sci & Technol, Collaborat Innovat Ctr Forecast & Evaluat Meteoro, Key Lab Meteorol Disaster Minist Educ, Key Lab Aerosol Cloud Precipitat China Meteorol A, Nanjing 210044, Jiangsu, Peoples R China. EM luchunsong110@gmail.com RI Liu, Yangang/H-6154-2011; Lu, Chunsong/K-7124-2013 OI Lu, Chunsong/0000-0002-8967-0371 FU National Natural Science Foundation of China [41030962, 41305120, 41375138, 41275151, 41075029, 41375137, 41305034]; Natural Science Foundation of Jiangsu Province, China [BK20130988, BK2012860]; Specialized Research Fund for the Doctoral Program of Higher Education [20133228120002]; Natural Science Foundation of the Higher Education Institutions of Jiangsu Province, China [13KJB170014]; China Meteorological Administration Special Public Welfare Research Fund [GYHY201406007]; National Key Laboratory of Numerical Modeling for Atmospheric Sciences and Geophysical Fluid Dynamics; Key Laboratory for Aerosol-Cloud-Precipitation of China Meteorological Administration, China [KDW1102, KDW1104, KDW1201]; Key Laboratory of Meteorological Disaster of Ministry of Education, China [KLME1305, KLME1205, KLME1107]; Qing-Lan Project for Cloud-Fog-Precipitation-Aerosol Study in Jiangsu Province, China; Priority Academic Program Development of Jiangsu Higher Education Institutions; U.S. Department of Energy's (DOE) Earth System Modeling (ESM) program via the FASTER project; Atmospheric System Research (ASR) program FX This research was supported by the National Natural Science Foundation of China (41030962, 41305120, 41375138, 41275151, 41075029, 41375137, 41305034); the Natural Science Foundation of Jiangsu Province, China (BK20130988, BK2012860); the Specialized Research Fund for the Doctoral Program of Higher Education (20133228120002); the Natural Science Foundation of the Higher Education Institutions of Jiangsu Province, China (13KJB170014); China Meteorological Administration Special Public Welfare Research Fund (GYHY201406007); the Open Funding from National Key Laboratory of Numerical Modeling for Atmospheric Sciences and Geophysical Fluid Dynamics; the Open Funding from Key Laboratory for Aerosol-Cloud-Precipitation of China Meteorological Administration, China (KDW1102, KDW1104, KDW1201); the Open Funding from Key Laboratory of Meteorological Disaster of Ministry of Education, China (KLME1305, KLME1205, KLME1107); the Qing-Lan Project for Cloud-Fog-Precipitation-Aerosol Study in Jiangsu Province, China; a Project Funded by the Priority Academic Program Development of Jiangsu Higher Education Institutions; the U.S. Department of Energy's (DOE) Earth System Modeling (ESM) program via the FASTER project (www.bnl.gov/faster) and Atmospheric System Research (ASR) program. We appreciate the helpful discussions about the RACORO data with Andrew Vogelmann, Haf Jonsson, Greg McFarquhar, Glenn Diskin, Gunnar Senum and Hee-Jung Yang. We also thank Steven Krueger and Timothy Wagner for their help with the EMPM model. NR 38 TC 3 Z9 3 U1 0 U2 2 PU SCIENCE PRESS PI BEIJING PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA SN 1001-6538 EI 1861-9541 J9 CHINESE SCI BULL JI Chin. Sci. Bull. PD MAR PY 2014 VL 59 IS 9 BP 896 EP 903 DI 10.1007/s11434-013-0097-1 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA AC3MA UT WOS:000332422300010 ER PT J AU King, MD Gulledge, J AF King, Marcus DuBois Gulledge, Jay TI Climate change and energy security: an analysis of policy research SO CLIMATIC CHANGE LA English DT Article ID CONFLICT AB The literature on climate change's impacts on energy security is scattered across disparate fields of research and schools of thought. Much of this literature has been produced outside of the academy by scholars and practitioners working in "think tanks," government agencies, and international/multilateral institutions. Here we reviewed a selected set of 58 articles and reports primarily from such sources and performed textual analysis of the arguments. Our review of this literature identifies three potential mechanisms for linking climate change and energy security: Climate change may 1) create second-order effects that may exacerbate social instability and disrupt energy systems; 2) directly impact energy supply and/or systems or 3) influence energy security through the effects of climate-related policies. We identify emerging risks to energy security driven by climate mitigation technology choices but find less evidence of climate change's direct physical impacts. We used both empirical and qualitative selection factors for choosing the grey literature sample. The sources we selected were published in the last 5 years, available through electronic media and were written in language accessible to general policy or academic readers. The organizations that published the literature had performed previous research in the general fields of energy and/or climate change with some analytical content and identified themselves as non-partisan. This literature is particularly valuable to scholars because identifies understudied relationships that can be rigorously assessed through academic tools and methodologies and informs a translational research agenda that will allow scholars to engage with practitioners to address challenges that lie at the nexus of climate change and energy security. C1 [King, Marcus DuBois] George Washington Univ, Elliott Sch Int Affairs, Washington, DC 20052 USA. [Gulledge, Jay] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP King, MD (reprint author), George Washington Univ, Elliott Sch Int Affairs, Washington, DC 20052 USA. EM mdking@gwu.edu RI Gulledge, Jay/G-3252-2010 OI Gulledge, Jay/0000-0002-9779-8690 NR 45 TC 2 Z9 3 U1 2 U2 18 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0165-0009 EI 1573-1480 J9 CLIMATIC CHANGE JI Clim. Change PD MAR PY 2014 VL 123 IS 1 SI SI BP 57 EP 68 DI 10.1007/s10584-013-0895-0 PG 12 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA AC2HE UT WOS:000332319700005 ER PT J AU Green, DL Berry, LA AF Green, D. L. Berry, L. A. TI Iterative addition of parallel temperature effects to finite-difference simulation of radio-frequency wave propagation in plasmas SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE Radio frequency heating; FDFD; FEFD; Kinetic effects; Plasmas ID NEOCLASSICAL TEARING MODES; CURRENT DRIVE; CYCLOTRON WAVES; ICRF ANTENNAS; FREQUENCY; TOKAMAK AB Accurate simulations of how radio frequency (RF) power is launched, propagates, and absorbed in a magnetically confined plasma is a computationally challenging problem that for which no comprehensive approach presently exists. The underlying physics is governed by the Vlasov-Maxwell equations, and characteristic length scales can vary by three orders of magnitude. Present algorithms are, in general, based on finding the constituative relation between the induced RF current and the RF electric field and solving the resulting set of Maxwell's equations. These linear equations use a Fourier basis set that is not amenable to multi-scale formulations and have a large dense coefficient matrix that requires a high-communications overhead factorization technique. Here the use of operator splitting to separate the current and field calculations, and a low-overhead iterative solver leads to an algorithm that avoids these issues and has the potential to solve presently intractable problems due to its data-parallel and favorable scaling characteristics. We verify the algorithm for the iterative addition of parallel temperature effects for a 1D electron Langmuir by reproducing the solution obtained with the existing Fourier kinetic RF code AORSA (Jaeger et al., 2008). Published by Elsevier B.V. C1 [Green, D. L.; Berry, L. A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Green, DL (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM greendl1@ornl.gov; berryla@ornl.gov FU Office of Science of the US Department of Energy; Oak Ridge National Laboratory [DE-AC05-000R22725] FX This work was supported by the Office of Science of the US Department of Energy, and used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory under contract number DE-AC05-000R22725. NR 25 TC 1 Z9 1 U1 1 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 EI 1879-2944 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD MAR PY 2014 VL 185 IS 3 BP 736 EP 743 DI 10.1016/j.cpc.2013.10.032 PG 8 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA AB6SF UT WOS:000331919100005 ER PT J AU Pang, X Rybarcyk, L AF Pang, X. Rybarcyk, L. TI GPU accelerated online multi-particle beam dynamics simulator for ion linear particle accelerators SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE GPU; Multi-particle; Beam dynamics; Particle accelerator AB An online beam dynamics simulator is being developed for use in the operation of an ion linear particle accelerator. By employing Graphics Processing Unit (GPU) technology, the performance of the simulator has been significantly increased over that of a single CPU and is therefore viable in the demanding accelerator operations environment. Once connected to the accelerator control system, it can rapidly respond to any control set point changes and predict beam properties along an ion linear accelerator in pseudoreal time. This simulator will be a virtual beam diagnostic tool which is especially useful when direct beam measurements are not available. Details about the code structure design, physics algorithms, GPU implementations, and performance are presented. Published by Elsevier B.V. C1 [Pang, X.; Rybarcyk, L.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Pang, X (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. EM xpang@lanl.gov FU US DOE; NNSA [DE-AC52-06NA25396] FX The authors would like to thank Scott A. Baily for support on EPICS control system and Robert W. Garnett for his comments and suggestions in preparing this paper. This work is supported by US DOE, NNSA under contract DE-AC52-06NA25396. NR 13 TC 1 Z9 1 U1 1 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 EI 1879-2944 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD MAR PY 2014 VL 185 IS 3 BP 744 EP 753 DI 10.1016/j.cpc.2013.10.033 PG 10 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA AB6SF UT WOS:000331919100006 ER PT J AU Jiang, W Phillips, JC Huang, L Fajer, M Meng, YL Gumbart, JC Luo, Y Schulten, K Roux, B AF Jiang, Wei Phillips, James C. Huang, Lei Fajer, Mikolai Meng, Yilin Gumbart, James C. Luo, Yun Schulten, Klaus Roux, Benoit TI Generalized scalable multiple copy algorithms for molecular dynamics simulations in NAMD SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE MCA; NAMD; Tcl; Charm plus ID FREE-ENERGY CALCULATIONS; REPLICA-EXCHANGE METHOD; BINDING FREE-ENERGIES; STRING METHOD; TRANSITION PATHWAYS; LANDSCAPE; WATER; TRAJECTORIES; EFFICIENT; SOLVENT AB Computational methodologies that couple the dynamical evolution of a set of replicated copies of a system of interest offer powerful and flexible approaches to characterize complex molecular processes. Such multiple copy algorithms (MCAs) can be used to enhance sampling, compute reversible work and free energies, as well as refine transition pathways. Widely used examples of MCAs include temperature and Hamiltonian-tempering replica-exchange molecular dynamics (T-REMD and H-REMD), alchemical free energy perturbation with lambda replica-exchange (FEP/lambda-REMD), umbrella sampling with Hamiltonian replica exchange (US/H-REMD), and string method with swarms-of-trajectories conformational transition pathways. Here, we report a robust and general implementation of MCAs for molecular dynamics (MD) simulations in the highly scalable program NAMD built upon the parallel programming system Charm++. Multiple concurrent NAMD instances are launched with internal partitions of Charm++ and located continuously within a single communication world. Messages between NAMD instances are passed by low-level point-to-point communication functions, which are accessible through NAMD's Tcl scripting interface. The communication-enabled Tcl scripting provides a sustainable application interface for end users to realize generalized MCAs without modifying the source code. Illustrative applications of MCAs with fine-grained inter-copy communication structure, including global lambda exchange in FEP/lambda-REMD, window swapping US/H-REMD in multidimensional order parameter space, and string method with swarms-of-trajectories were carried out on IBM Blue Gene/Q to demonstrate the versatility and massive scalability of the present implementation. Published by Elsevier B.V. C1 [Jiang, Wei; Luo, Yun] Argonne Natl Lab, Argonne Leadership Comp Facil, Argonne, IL 60439 USA. [Gumbart, James C.; Roux, Benoit] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Huang, Lei; Fajer, Mikolai; Meng, Yilin; Roux, Benoit] Univ Chicago, Gordon Ctr Integrat Sci, Dept Biochem & Mol Biol, Chicago, IL 60637 USA. [Phillips, James C.; Schulten, Klaus] Univ Illinois, Beckman Inst, Urbana, IL 61801 USA. [Schulten, Klaus] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Gumbart, James C.] Georgia Inst Technol, Sch Phys, Atlanta, GA 30332 USA. RP Jiang, W (reprint author), Argonne Natl Lab, Argonne Leadership Comp Facil, 9700 South Cass Ave,Bldg 240, Argonne, IL 60439 USA. EM wjiang@alcf.anl.gov; kschulte@ks.uiuc.edu; roux@uchicago.edu OI Phillips, James/0000-0002-2296-3591 FU Office of Science of the U.S. Department of Energy [DE-AC02-06CH11357]; National Institutes of Health [9P41GM104601, U54GM087519, K22-AI100927]; National Science Foundation (NSF) [MCB-0920261]; Early Science Program of Argonne Leadership Computing Facility; Department of Energy Office of Science and used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory FX We would like to acknowledge the Parallel Programming Laboratory, University of Illinois at Urbana-Champaign, for the implementation of Char on IBM Blue Gene/Q. This research is supported by the Early Science Program of Argonne Leadership Computing Facility, Department of Energy Office of Science and used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under contract DE-AC02-06CH11357. This work also is supported by the National Institutes of Health through grants 9P41GM104601 (K.S. and J.P.), U54GM087519 (K.S. and B.R.), and K22-AI100927 (J.C.G.) and by MCB-0920261 (B.R.) from the National Science Foundation (NSF). NR 55 TC 27 Z9 27 U1 5 U2 51 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 EI 1879-2944 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD MAR PY 2014 VL 185 IS 3 BP 908 EP 916 DI 10.1016/j.cpc.2013.12.014 PG 9 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA AB6SF UT WOS:000331919100024 PM 24944348 ER PT J AU Lourderaj, U Sun, R Kohale, SC Barnes, GL de Jong, WA Windus, TL Hase, WL AF Lourderaj, Upakarasamy Sun, Rui Kohale, Swapnil C. Barnes, George L. de Jong, Wibe A. Windus, Theresa L. Hase, William L. TI The VENUS/NWChem software package. Tight coupling between chemical dynamics simulations and electronic structure theory SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE Direct dynamics; Classical trajectories; Molecular simulation ID CLASSICAL TRAJECTORY SIMULATIONS; POTENTIAL-ENERGY SURFACE; POSTTRANSITION STATE DYNAMICS; ABIETIC ACID BIOSYNTHESIS; UNIMOLECULAR DYNAMICS; PERFORMANCE; DECOMPOSITION; PROGRAM AB The interface for VENUS and NWChem, and the resulting software package for direct dynamics simulations are described. The coupling of the two codes is considered to be a tight coupling since the two codes are compiled and linked together and act as one executable with data being passed between the two codes through routine calls. The advantages of this type of coupling are discussed. The interface has been designed to have as little interference as possible with the core codes of both VENUS and NWChem. VENUS is the code that propagates the direct dynamics trajectories and, therefore, is the program that drives the overall execution of VENUS/NWChem. VENUS has remained an essentially sequential code, which uses the highly parallel structure of NWChem. Subroutines of the interface that accomplish the data transmission and communication between the two computer programs are described. Recent examples of the use of VENUS/NWChem for direct dynamics simulations are summarized. Program summary Program title: VENUS/NWChem Catalogue identifier: AERS_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AERS_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Open Source Educational Community License No. of lines in distributed program, including test data, etc.: 10,831,970 No. of bytes in distributed program, including test data, etc.: 77,141,871 Distribution format: tar.gz Programming language: Fortran 77 with some C in NWChem, MPI. Computer: All Linux based workstations and parallel supercomputers. Operating system: Linux. Has the code been vectorized or parallelized?: Venus is a sequential code; NWChem can run in parallel. Classification: 16.8. Subprograms used: Cat Id Title Reference AEGI_v1_0 NWChem CPC 181(2010)1477 Nature of problem: Direct dynamics simulations play an important role in investigating and understanding atomic-level chemical dynamics information such as atomistic reaction mechanisms, unimolecular and bimolecular rate constants, intramolecular vibrational energy redistribution rates, etc. The ability to couple direct dynamics with electronic structure methods brings a level of fidelity to the simulations that is important for complex systems. However, a tight coupling between two codes that have their own development teams and schedules can be challenging. Solution method: The VENUS/NWChem interface is designed to link the general electronic structure program (NWChem) and classical chemical dynamics simulation program (VENUS) to perform direct dynamics simulation in which the trajectories "on the fly" with the potential and its derivatives obtained directly from electronic structure theory. One of the design goals is to build interfaces that require as little interference in NWChem and VENUS as possible so that each of the code developments can continue independently. This is especially important since VENUS is currently a sequential code and NWChem is a parallel code and being able to compute the energies, gradients, and Hessian in parallel is an important aspect of making the software useful to users. In this manuscript, the tight coupling interface between the two codes is described and examples of its use are given. In the classical chemical dynamics simulation an ensemble of trajectories is calculated, and the initial sampling represents the conditions of the reactants for the chemical reaction under investigation. Each trajectory is evaluated by numerically integrating either Hamilton's or Newton's equations of motion. The Schrodinger equation is solved and the energy and energy gradient are calculated in the electronic structure program (NWChem), and this information is passed to the classical trajectory program (VENUS) to solve the equations of motion. Additional comments: Full documentation is provided in the distribution file. This includes a README file giving the names and brief description of all the files that make up the package and instructions on the installation and execution of the program. Sample input and output data for test run will also be provided. The software is free to download and use once a signed license agreement has been received. The agreement will be displayed when the program is requested. Running time: The running time depends on the size of the chemical system, simulation time, complexity of the ab initio method and number of CPUs. The ab initio method is the most time consuming part of each step in the calculations and scaling, for different types of systems and levels of theory is available in Valiev et al. (2010). Again, there are many factors that affect the running time for the full simulation and it can range from several hours for simulations of a few atoms with DFT and a small basis set running on a single compute node to several days for the simulation of tens of heavy atoms with larger basis set running parallel. (C) 2013 Elsevier B.V. All rights reserved. C1 [Lourderaj, Upakarasamy] Natl Inst Sci Educ & Res, Sch Chem Sci, Bhubaneswar 751005, Orissa, India. [Sun, Rui; Kohale, Swapnil C.; Hase, William L.] Texas Tech Univ, Dept Chem & Biochem, Lubbock, TX 79409 USA. [Barnes, George L.] Siena Coll, Dept Chem & Biochem, Loudonville, NY 12211 USA. [de Jong, Wibe A.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Windus, Theresa L.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Hase, WL (reprint author), Box 41061, Lubbock, TX 79409 USA. EM bill.hase@ttu.edu RI DE JONG, WIBE/A-5443-2008 OI DE JONG, WIBE/0000-0002-7114-8315 FU Air Force Office of Scientific Research; Office of Naval Research; National Science Foundation; Robert A. Welch Foundation [D-0005]; National Science Foundation [OISE-0730114]; Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory; Battelle [DE-AC05-76RL01830] FX The development and applications of the VENUS/NWChem software package by the Hase Research Group have been supported by grants from the Air Force Office of Scientific Research, the Office of Naval Research, and the National Science Foundation. Support from the Robert A. Welch Foundation, from Grant No. D-0005, is also important. This material is also based upon work supported by the National Science Foundation under Grant No. OISE-0730114 for the Partnerships in International Research and Education (PIRE). This work was done in part using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, operated for the U.S. Department of Energy by Battelle under contract DE-AC05-76RL01830. NR 57 TC 13 Z9 13 U1 4 U2 30 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 EI 1879-2944 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD MAR PY 2014 VL 185 IS 3 BP 1074 EP 1080 DI 10.1016/j.cpc.2013.11.011 PG 7 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA AB6SF UT WOS:000331919100038 ER PT J AU Zhong, ZP Talamo, A Gohar, Y AF Zhong, Zhaopeng Talamo, Alberto Gohar, Yousry TI Monte Carlo and deterministic computational methods for the calculation of the effective delayed neutron fraction (vol 184, pg 1660, 2013) SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Correction C1 [Zhong, Zhaopeng; Talamo, Alberto; Gohar, Yousry] Argonne Natl Lab, Lemont, IL 60439 USA. RP Zhong, ZP (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Lemont, IL 60439 USA. EM zzhong@anl.gov NR 1 TC 0 Z9 0 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 EI 1879-2944 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD MAR PY 2014 VL 185 IS 3 BP 1193 EP 1193 DI 10.1016/j.cpc.2013.11.007 PG 1 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA AB6SF UT WOS:000331919100050 ER PT J AU Du, Q Huang, Z Lehoucq, RB AF Du, Qiang Huang, Zhan Lehoucq, Richard B. TI NONLOCAL CONVECTION-DIFFUSION VOLUME-CONSTRAINED PROBLEMS AND JUMP PROCESSES SO DISCRETE AND CONTINUOUS DYNAMICAL SYSTEMS-SERIES B LA English DT Article AB We introduce the Cauchy and time-dependent volume-constrained problems associated with a linear nonlocal convection-diffusion equation. These problems are shown to be well-posed and correspond to conventional convection-diffusion equations as the region of nonlocality vanishes. The problems also share a number of features such as the maximum principle, conservation and dispersion relations, all of which are consistent with their corresponding local counterparts. Moreover, these problems are the master equations for a class of finite activity Levy-type processes with nonsymmetric Levy measure. Monte Carlo simulations and finite difference schemes are applied to these nonlocal problems, to show the effects of time, kernel, nonlocality and different volume-constraints. C1 [Du, Qiang; Huang, Zhan] Penn State Univ, Dept Math, University Pk, PA 16802 USA. [Lehoucq, Richard B.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Du, Q (reprint author), Penn State Univ, Dept Math, University Pk, PA 16802 USA. EM qdu@math.psu.edu; zxh117@psu.edu; rblehou@sandia.gov RI Du, Qiang/B-1021-2008 OI Du, Qiang/0000-0002-1067-8937 FU U.S. Department of Energy [DE-SC0005346, WP-09-014290]; U.S. National Science Foundation [DMS-1318586]; US AFOSR MURI Center for Material Failure Prediction through Peridynamics; Lockheed Martin Company, for the U.S. Department of Energy [DE-AC04-94AL85000]; Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories FX The first two authors are supported by U.S. Department of Energy grant DE-SC0005346, U.S. National Science Foundation grant DMS-1318586, and US AFOSR MURI Center for Material Failure Prediction through Peridynamics. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the U.S. Department of Energy under contract DE-AC04-94AL85000. The work of R.B. Lehoucq was supported in part by U.S. Department of Energy grant FWP-09-014290 through the Office of Advanced Scientific Computing Research, DOE Office of Science, and by the Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories. NR 9 TC 9 Z9 10 U1 0 U2 1 PU AMER INST MATHEMATICAL SCIENCES PI SPRINGFIELD PA PO BOX 2604, SPRINGFIELD, MO 65801-2604 USA SN 1531-3492 EI 1553-524X J9 DISCRETE CONT DYN-B JI Discrete Contin. Dyn. Syst.-Ser. B PD MAR PY 2014 VL 19 IS 2 BP 373 EP 389 DI 10.3934/dcdsb.2014.19.373 PG 17 WC Mathematics, Applied SC Mathematics GA AB8HO UT WOS:000332031200003 ER PT J AU Fletcher, DE Lindell, AH Stillings, GK Mills, GL Blas, SA McArthur, JV AF Fletcher, Dean E. Lindell, Angela H. Stillings, Garrett K. Mills, Gary L. Blas, Susan A. McArthur, J. Vaun TI Spatial and taxonomic variation in trace element bioaccumulation in two herbivores from a coal combustion waste contaminated stream SO ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY LA English DT Article DE Trace elements; Bioaccumulation; Coal combustion waste; Clam; Mayfly ID CARBON-ISOTOPE RATIOS; SOUTHEASTERN UNITED-STATES; BULLFROGS RANA-CATESBEIANA; CLAM CORBICULA-FLUMINEA; COASTAL-PLAIN STREAM; FRESH-WATER; HEAVY-METALS; AQUATIC INSECTS; LIFE-HISTORIES; ARKANSAS RIVER AB Dissimilarities in habitat use, feeding habits, life histories, and physiology can result in syntopic aquatic taxa of similar trophic position bioaccumulating trace elements in vastly different patterns. We compared bioaccumulation in a clam, Corbicula fluminea and mayfly nymph Maccaffertium modestum from a coal combustion waste contaminated stream. Collection sites differed in distance to contaminant sources, incision, floodplain activity, and sources of flood event water and organic matter. Contaminants variably accumulated in both sediment and biofilm. Bioaccumulation differed between species and sites with C fluminea accumulating higher concentrations of Hg, Cs, Sr, Se, As, Be, and Cu, but M. modestum higher Pb and V. Stable isotope analyses suggested both spatial and taxonomic differences in resource use with greater variability and overlap between species in the more physically disturbed site. The complex but essential interactions between organismal biology, divergence in resource use, and bioaccumulation as related to stream habitat requires further studies essential to understand impacts of metal pollution on stream systems. (C) 2014 Elsevier Inc. All rights reserved. C1 [Fletcher, Dean E.; Lindell, Angela H.; Stillings, Garrett K.; Mills, Gary L.; McArthur, J. Vaun] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. [Blas, Susan A.] Savannah River Nucl Solut, Area Complet Projects, Aiken, SC 29808 USA. RP Fletcher, DE (reprint author), Univ Georgia, Savannah River Ecol Lab, PO Drawer E, Aiken, SC 29802 USA. EM fletcher@srel.uga.edu; lindell@srel.uga.edu; garrett.stillings@ky.gov; gmills@srel.uga.edu; susan.blas@srs.gov; mcarthur@srel.uga.edu FU Department of Energy; Area Completion Projects group-SRNS [DE-FC09-07SR22506] FX This material is based upon work supported by the Department of Energy and the Area Completion Projects group-SRNS under Award Number DE-FC09-07SR22506 to the University of Georgia Research Foundation. We thank Bill Hopkins for his insightful comments that improved this manuscript and David Kling, Cynthia Tant, Beryl Walker, and Nathaniel Fletcher for field and lab assistance, Tracye Murphy and John Seaman for trace element analysis and Tom Maddox for SIA. NR 74 TC 6 Z9 6 U1 5 U2 34 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0147-6513 EI 1090-2414 J9 ECOTOX ENVIRON SAFE JI Ecotox. Environ. Safe. PD MAR PY 2014 VL 101 BP 196 EP 204 DI 10.1016/j.ecoenv.2013.12.024 PG 9 WC Environmental Sciences; Toxicology SC Environmental Sciences & Ecology; Toxicology GA AB5UE UT WOS:000331853400028 PM 24507146 ER PT J AU Tsuji, P Poulson, J Engquist, B Ying, LX AF Tsuji, Paul Poulson, Jack Engquist, Bjoern Ying, Lexing TI SWEEPING PRECONDITIONERS FOR ELASTIC WAVE PROPAGATION WITH SPECTRAL ELEMENT METHODS SO ESAIM-MATHEMATICAL MODELLING AND NUMERICAL ANALYSIS-MODELISATION MATHEMATIQUE ET ANALYSE NUMERIQUE LA English DT Article DE Elastic wave; seismic wave; time-harmonic; frequency domain; spectral elements; parallel preconditioner; iterative solver; sparse-direct; perfectly matched layers; full waveform inversion ID HARMONIC MAXWELLS EQUATIONS; HELMHOLTZ-EQUATION AB We present a parallel preconditioning method for the iterative solution of the time-harmonic elastic wave equation which makes use of higher-order spectral elements to reduce pollution error. In particular, the method leverages perfectly matched layer boundary conditions to efficiently approximate the Schur complement matrices of a block LDLT factorization. Roth sequential and parallel versions of the algorithm are discussed and results for large-scale problems from exploration geophysics are presented. C1 [Tsuji, Paul] Sandia Natl Labs, Livermore, CA 94550 USA. [Poulson, Jack] Georgia Inst Technol, Sch Computat Sci & Engn, Atlanta, GA 30332 USA. [Engquist, Bjoern] Univ Texas Austin, Dept Math, Austin, TX 78712 USA. [Ying, Lexing] Stanford Univ, Dept Math, Stanford, CA 94305 USA. RP Tsuji, P (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM lexing@math.stanford.edu NR 25 TC 3 Z9 3 U1 0 U2 6 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 0764-583X EI 1290-3841 J9 ESAIM-MATH MODEL NUM JI ESAIM-Math. Model. Numer. Anal.-Model. Math. Anal. Numer. PD MAR PY 2014 VL 48 IS 2 BP 433 EP 447 DI 10.1051/m2an/2013114 PG 15 WC Mathematics, Applied SC Mathematics GA AB7BH UT WOS:000331943800007 ER PT J AU Johnson, BB Dhople, SV Hamadeh, AO Krein, PT AF Johnson, Brian B. Dhople, Sairaj V. Hamadeh, Abdullah O. Krein, Philip T. TI Synchronization of Nonlinear Oscillators in an LTI Electrical Power Network SO IEEE TRANSACTIONS ON CIRCUITS AND SYSTEMS I-REGULAR PAPERS LA English DT Article DE Inverter control; microgrids; nonlinear oscillators; synchronization ID INVERTERS; SYSTEMS; PARALLEL; MICROGRIDS; CONTROLLER; OPERATION; PASSIVITY AB Sufficient conditions are derived for the global asymptotic synchronization of a class of identical nonlinear oscillators coupled through a linear time-invariant network. In particular, we focus on systems where oscillators are connected to a common node through identical branch impedances. For such networks, it is shown that the synchronization condition is independent of the number of oscillators and the value of the load impedance connected to the common node. Theoretical findings are then leveraged to control a system of parallel single-phase voltage source inverters serving an impedance load in an islanded microgrid application. The ensuing paradigm: i) does not necessitate communication between inverters, ii) is independent of system load, and iii) facilitates a modular design approach because the synchronization condition is independent of the number of oscillators. We present both simulation and experimental case studies to validate the analytical results and demonstrate the proposed application. C1 [Johnson, Brian B.] Natl Renewable Energy Lab, Power Syst Engn Ctr, Golden, CO 80401 USA. [Dhople, Sairaj V.] Univ Minnesota, Dept Elect & Comp Engn, Minneapolis, MN 55455 USA. [Hamadeh, Abdullah O.] MIT, Dept Mech Engn, Cambridge, MA 02139 USA. [Krein, Philip T.] Univ Illinois, Dept Elect & Comp Engn, Urbana, IL 61801 USA. RP Johnson, BB (reprint author), Natl Renewable Energy Lab, Power Syst Engn Ctr, Golden, CO 80401 USA. EM brian.johnson@nrel.gov; sdhople@umn.edu; ahamadeh@mit.edu; krein@illinois.edu FU National Science Foundation Graduate Research Fellowship; Grainger Center for Electric Machinery and Electromechanics at the University of Illinois; Global Climate and Energy Project at Stanford University FX The work of B. B. Johnson was supported in part by a National Science Foundation Graduate Research Fellowship and the Grainger Center for Electric Machinery and Electromechanics at the University of Illinois. The work of P. T. Krein was supported in part by the Global Climate and Energy Project at Stanford University. This paper was recommended by Associate Editor R. Sipahi. NR 38 TC 18 Z9 19 U1 1 U2 14 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1549-8328 EI 1558-0806 J9 IEEE T CIRCUITS-I JI IEEE Trans. Circuits Syst. I-Regul. Pap. PD MAR PY 2014 VL 61 IS 3 BP 834 EP 844 DI 10.1109/TCSI.2013.2284180 PG 11 WC Engineering, Electrical & Electronic SC Engineering GA AB9LM UT WOS:000332115000017 ER PT J AU Jordan, TS Scott, S Leonhardt, D Custer, JO Rodenbeck, CT Wolfley, S Nordquist, CD AF Jordan, Tyler S. Scott, Sean Leonhardt, Darin Custer, Joyce Olsen Rodenbeck, Christopher T. Wolfley, Steve Nordquist, Christopher D. TI Model and Characterization of VO2 Thin-Film Switching Devices SO IEEE TRANSACTIONS ON ELECTRON DEVICES LA English DT Article DE Resistive circuits; switches; thin film devices; vanadium compounds ID INSULATOR-TRANSITION; PHASE-TRANSITION AB This paper investigates and models the dc behavior of thin-film-based switching devices. The devices are based on sputtered vanadium dioxide thin films that transition from 200 k Omega/square at room temperature to 390 Omega/square at temperatures above 68 degrees C, with the transition occurring over a narrow temperature range. The device resistance is characterized over temperature and under current-and voltage-sourced electrical bias. The finite-element model predicts the device's nonuniform switching behavior. Electrothermally heated devices show the same transition ratio and switching behavior as externally heated devices suggesting a purely electrothermal switching mechanism. C1 [Jordan, Tyler S.; Leonhardt, Darin; Rodenbeck, Christopher T.; Wolfley, Steve; Nordquist, Christopher D.] Sandia Natl Labs, Albuquerque, NM 87123 USA. [Scott, Sean] Purdue Univ, W Lafayette, IN 47907 USA. [Custer, Joyce Olsen] Sandia Staffing Alliance, Albuquerque, NM 87123 USA. RP Jordan, TS (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA. EM tsjorda@sandia.gov; scottsm@purdue.edu; dleonha@sandia.gov; jcuster@sandia.gov; ctroden@sandia.gov; slwolfl@sandia.gov; cdnordq@sandia.gov FU Laboratory Directed Research and Development Program; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the Laboratory Directed Research and Development Program. Sandia National Laboratories is a Multiprogram Laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. The review of this paper was arranged by Editor C. K. Sarkar. NR 16 TC 7 Z9 7 U1 0 U2 38 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9383 EI 1557-9646 J9 IEEE T ELECTRON DEV JI IEEE Trans. Electron Devices PD MAR PY 2014 VL 61 IS 3 BP 813 EP 819 DI 10.1109/TED.2014.2299549 PG 7 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA AB8LC UT WOS:000332040700023 ER PT J AU Zhang, C Wang, JH AF Zhang, Chi Wang, Jianhui TI Optimal Transmission Switching Considering Probabilistic Reliability SO IEEE TRANSACTIONS ON POWER SYSTEMS LA English DT Article DE Evolutionary algorithm; multi-objective optimization; reliability; transmission switching AB A multi-objective (MO) optimization approach is proposed in this letter to develop optimal transmission switching strategies with minimal generating cost and maximal probabilistic reliability. The problem is solved via an evolutionary algorithm together with Monte Carlo simulation to capture the probabilistic nature of system component failures. The numerical results show that the identified quasi Pareto-optimal solutions can provide insights into the trade-off between generating cost and system reliability considering transmission switching. C1 [Zhang, Chi] Tsinghua Univ, Dept Ind Engn, Beijing 100084, Peoples R China. [Wang, Jianhui] Argonne Natl Lab, Argonne, IL 60439 USA. RP Zhang, C (reprint author), Tsinghua Univ, Dept Ind Engn, Beijing 100084, Peoples R China. EM czhang@tsinghua.edu.cn; jianhui.wang@anl.gov RI zhang, chi/E-1251-2016 OI zhang, chi/0000-0002-2995-7469 FU Office of Electricity Delivery and Energy of U.S. Department of Energy; National Natural Science Foundation of China [71301085, 71332005, 71301175] FX This work was supported by the Office of Electricity Delivery and Energy of U.S. Department of Energy and in part by the National Natural Science Foundation of China under Grants 71301085, 71332005, and 71301175. Paper no. PESL-00149-2012. NR 3 TC 4 Z9 4 U1 1 U2 9 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-8950 EI 1558-0679 J9 IEEE T POWER SYST JI IEEE Trans. Power Syst. PD MAR PY 2014 VL 29 IS 2 BP 974 EP 975 DI 10.1109/TPWRS.2013.2287999 PG 2 WC Engineering, Electrical & Electronic SC Engineering GA AB7NT UT WOS:000331978000047 ER PT J AU Seong, H Choi, S Lee, K AF Seong, H. Choi, S. Lee, K. TI EXAMINATION OF NANOPARTICLES FROM GASOLINE DIRECT-INJECTION (GDI) ENGINES USING TRANSMISSION ELECTRON MICROSCOPY (TEM) SO INTERNATIONAL JOURNAL OF AUTOMOTIVE TECHNOLOGY LA English DT Article DE Sub-23-nm particles; Solid carbon nanoparticles; GDI engines; TEM analysis; Morphology; PN regulation ID EXHAUST; DIESEL; PARTICLE; VEHICLES AB Gasoline direct-injection (GDI) engines have been reported to produce significantly more particulate matter (PM) mass and particulate number (PN) emissions than do port-fuel-injection (PFI) spark ignition engines. Because small-sized particles are of great concern in terms of their regulation, transmission electron microscopy (TEM) was used to evaluate the sizes of primary and aggregate particles that were thermophoretically collected from three different GDI engines under various engine operating conditions. A low load and retarded fuel injection generally reduced the particle size. Consequently, when the fuel injection timing was delayed at low loads, primary and aggregate particles became extremely small. In particular, a number of nanoparticles were sub-23-nm particles. Careful high-resolution TEM (HRTEM) analyses provided the first evidence that these nanoparticles are solid carbon particles with clear fringe patterns and young soot (and/or highly condensed semi-volatiles) with amorphous carbon patterns. Therefore, this result suggests that the current cut-off size at 23 rim for PN regulation in Euro 6 must be further reduced to include sub-23-nm carbon nanoparticles. C1 [Seong, H.; Choi, S.; Lee, K.] Argonne Natl Lab, Div Energy Syst, Transportat Technol R&D Ctr, Argonne, IL 60439 USA. RP Seong, H (reprint author), Argonne Natl Lab, Div Energy Syst, Transportat Technol R&D Ctr, 9700 S Cass Ave, Argonne, IL 60439 USA. EM hseong@anl.gov FU Advanced Engine Combustion Program at the U.S. Department of Energy Office of Vehicle Technologies; Corning Inc.; Hyundai motor company; U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences; [DE-AC02-06CH11357] FX 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. The U.S. government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, perform publicly and display publicly, by or on behalf of the government. The authors thank the Advanced Engine Combustion Program at the U.S. Department of Energy Office of Vehicle Technologies, Corning Inc. and Hyundai motor company for their support. Additionally, the authors thank Dr. David Rothamer, Stephen Sakai and Mitchel Hageman for their help in collecting particulates from the single-cylinder engine in the Engine Research Center (ERG) at the University of Wisconsin-Madison. Furthermore, the use of the TEM instruments at the Center for Nanoscale Materials facility and the Electron Microscopy Center was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences. NR 24 TC 10 Z9 11 U1 2 U2 41 PU KOREAN SOC AUTOMOTIVE ENGINEERS-KSAE PI SEOUL PA #1301, PARADISE VENTURE TOWER, 52-GIL 21, TEHERAN-RO, GANGNAM-GU, SEOUL 135-919, SOUTH KOREA SN 1229-9138 EI 1976-3832 J9 INT J AUTO TECH-KOR JI Int. J. Automot. Technol. PD MAR PY 2014 VL 15 IS 2 BP 175 EP 181 DI 10.1007/s12239-014-0019-5 PG 7 WC Engineering, Mechanical; Transportation Science & Technology SC Engineering; Transportation GA AC0OD UT WOS:000332193700001 ER PT J AU Choi, S Myung, CL Park, S AF Choi, S. Myung, C. L. Park, S. TI REVIEW ON CHARACTERIZATION OF NANO-PARTICLE EMISSIONS AND PM MORPHOLOGY FROM INTERNAL COMBUSTION ENGINES: PART 2 SO INTERNATIONAL JOURNAL OF AUTOMOTIVE TECHNOLOGY LA English DT Article DE Particulate matters (PM); PM characterization; TEM microscopy; X-ray diffraction (XRD); Raman spectroscopy ID DIESEL EXHAUST PARTICLES; OPERATING-CONDITIONS; PARTICULATE-EMISSIONS; FRACTAL DIMENSION; SOOT PARTICLES; AIR-POLLUTION; MOBILITY; SIZE; NANOSTRUCTURE; MICROSCOPY AB This paper presents a review of the characterization of physical properties, morphology, and nanostructure of particulate emissions from internal combustion engines. Because of their convenience and readiness of measurement, various on-line commercial instruments have been used to measure the mass, number, and size distribution of nano-particles from different engines. However, these on-line commercial instruments have inherent limitations in detailed analysis of chemical and physical properties, morphology, and nanostructure of engine soot agglomerates, information that is necessary to understand the soot formation process in engine combustion, soot particle behavior in after-treatment systems, and health impacts of the nano-particles. For these reasons, several measurement techniques used in the carbon research field, i.e., high-resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD), and Raman spectroscopy, were used for analysis of engine particulate matter (PM). This review covers a brief introduction of several measurement techniques and previous results from engine nano-particle characterization studies using those techniques. C1 [Choi, S.] Argonne Natl Lab, Div Energy Syst, Transportat Technol R&D Ctr, Argonne, IL 60439 USA. [Myung, C. L.; Park, S.] Korea Univ, Sch Mech Engn, Seoul 136701, South Korea. RP Myung, CL (reprint author), Korea Univ, Sch Mech Engn, Seoul 136701, South Korea. EM gascar@korea.ac.kr FU Korea University; BK21 plus FX This study was supported by Korea University Grant and BK21 plus. NR 62 TC 9 Z9 9 U1 5 U2 42 PU KOREAN SOC AUTOMOTIVE ENGINEERS-KSAE PI SEOUL PA #1301, PARADISE VENTURE TOWER, 52-GIL 21, TEHERAN-RO, GANGNAM-GU, SEOUL 135-919, SOUTH KOREA SN 1229-9138 EI 1976-3832 J9 INT J AUTO TECH-KOR JI Int. J. Automot. Technol. PD MAR PY 2014 VL 15 IS 2 BP 219 EP 227 DI 10.1007/s12239-014-0023-9 PG 9 WC Engineering, Mechanical; Transportation Science & Technology SC Engineering; Transportation GA AC0OD UT WOS:000332193700005 ER PT J AU Kim, N Lohse-Busch, H Rousseau, A AF Kim, N. Lohse-Busch, H. Rousseau, A. TI DEVELOPMENT OF A MODEL OF THE DUAL CLUTCH TRANSMISSION IN AUTONOMIE AND VALIDATION WITH DYNAMOMETER TEST DATA SO INTERNATIONAL JOURNAL OF AUTOMOTIVE TECHNOLOGY LA English DT Article DE Dual clutch transmission; Shifting map; Gearshift pattern; Modeling and simulation; Fuel economy; Performance AB Owing to ever more stringent regulations and customers' expectations, auto manufacturers have been considering numerous technology options to improve vehicle fuel economy. One of these is transmission technology, which has been shown to be one of the most cost-effective technologies. Over the past few years, transmissions have significantly evolved and have impacted both performance and fuel efficiency. As one of the advanced tranmissions, the dual clutch transmission (DCT) is the first automatic transmission to provide better efficiency than manual transmissions. DCTs provide reduced shift shocks and better driver comfort in addition to higher top speeds and torques. In this paper, a model and shifting controller for the DCT are developed in the vehicle systems context using Autonomie, a model-based vehicle simulation tool. Finally, the Autonomie DCT model and control strategy are validated using vehicle test data from Argonne's Advanced Powertrain Research Facility. C1 [Kim, N.; Lohse-Busch, H.; Rousseau, A.] Argonne Natl Lab, Transportat Technol R&D Ctr, Lemont, IL 60439 USA. RP Rousseau, A (reprint author), Argonne Natl Lab, Transportat Technol R&D Ctr, 9700 S Cass Ave, Lemont, IL 60439 USA. EM arousseau@anl.gov FU U.S. Department of Energy's Vehicle Technology Office; [DE-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy's Vehicle Technology Office under the direction of David Anderson and Lee Slezak. 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. The U.S. Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. NR 11 TC 4 Z9 4 U1 2 U2 26 PU KOREAN SOC AUTOMOTIVE ENGINEERS-KSAE PI SEOUL PA #1301, PARADISE VENTURE TOWER, 52-GIL 21, TEHERAN-RO, GANGNAM-GU, SEOUL 135-919, SOUTH KOREA SN 1229-9138 EI 1976-3832 J9 INT J AUTO TECH-KOR JI Int. J. Automot. Technol. PD MAR PY 2014 VL 15 IS 2 BP 263 EP 271 DI 10.1007/s12239-014-0027-5 PG 9 WC Engineering, Mechanical; Transportation Science & Technology SC Engineering; Transportation GA AC0OD UT WOS:000332193700009 ER PT J AU Chapline, G Barbieri, J AF Chapline, George Barbieri, James TI COLLECTIVE BARYON DECAY AND GRAVITATIONAL COLLAPSE SO INTERNATIONAL JOURNAL OF MODERN PHYSICS D LA English DT Article DE Gravitational collapse; baryon decay; firewall; gamma ray bursts ID LAMBDA-PHI-4 FIELD-THEORY; CURVED SPACE-TIME; SCALAR FIELD; RENORMALIZATION; UNIVERSE AB While it is widely believed that the gravitational collapse of a sufficiently large mass will lead to a density singularity and an event horizon, we propose that this never happens when quantum effects are taken into account. In particular, we propose that when the conditions become ripe for the formation of a trapped surface, a quantum critical firewall sweeps over the collapsing body, transforming the nucleons in the collapsing matter into a lepton/photon gas together with droplets of a positive vacuum energy. This will happen regardless of the matter density at the time a trapped surface starts to form, and as a result, we predict that at least in all cases of gravitational collapse involving ordinary matter, a large fraction of the rest mass of the collapsing matter will be converted into a burst of neutrinos and gamma-rays. We predict that the peak luminosity of these bursts is only weakly dependent on the mass of the collapsing object, and on the order of (epsilon(q)/m(P)c(2))(1/4)c(5)/G where epsilon(q) is the mean energy of a nucleon parton and m(P) is the Planck mass. The duration of the bursts will depend on the mass of the collapsing object; in the case of stellar core collapse, we predict that the duration of both the neutrino and gamma-ray bursts will be on the order of 10 s. C1 [Chapline, George] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Barbieri, James] Naval Air Warfare Ctr, China Lake, CA 93555 USA. RP Chapline, G (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94550 USA. EM barbierijf@hughes.net FU TUBITAK [BIDEB-2219] FX I would like to thank the colleagues in the theoretical high energy physics group at McGill University and especially Robert Brandenberger for their hospitality. This work is supported by TUBITAK BIDEB-2219 grant. NR 25 TC 2 Z9 2 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-2718 EI 1793-6594 J9 INT J MOD PHYS D JI Int. J. Mod. Phys. D PD MAR PY 2014 VL 23 IS 3 AR 1450025 DI 10.1142/S0218271814500254 PG 20 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AB9OI UT WOS:000332123800007 ER PT J AU Stefano, G Renna, L Brandizzi, F AF Stefano, Giovanni Renna, Luciana Brandizzi, Federica TI The endoplasmic reticulum exerts control over organelle streaming during cell expansion SO JOURNAL OF CELL SCIENCE LA English DT Article DE ER; Cytoplasmic streaming; Arabidopsis thaliana ID CLASS-XI MYOSINS; GREEN FLUORESCENT PROTEIN; F-ACTIN ORGANIZATION; PLANT-CELLS; ARABIDOPSIS-THALIANA; GOLGI-APPARATUS; TOBACCO-LEAVES; MOTILITY; ER; MOVEMENTS AB Cytoplasmic streaming is crucial for cell homeostasis and expansion but the precise driving forces are largely unknown. In plants, partial loss of cytoplasmic streaming due to chemical and genetic ablation of myosins supports the existence of yet-unknown motors for organelle movement. Here we tested a role of the endoplasmic reticulum (ER) as propelling force for cytoplasmic streaming during cell expansion. Through quantitative live-cell analyses in wild-type Arabidopsis thaliana cells and mutants with compromised ER structure and streaming, we demonstrate that cytoplasmic streaming undergoes profound changes during cell expansion and that it depends on motor forces co-exerted by the ER and the cytoskeleton. C1 [Stefano, Giovanni; Renna, Luciana; Brandizzi, Federica] Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. RP Brandizzi, F (reprint author), Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. EM fb@msu.edu RI STEFANO, GIOVANNI/A-8264-2011 OI STEFANO, GIOVANNI/0000-0002-2744-0052 FU National Science Foundation (Molecular and Cellular Biosciences) [1243792] FX This study was supported by the National Science Foundation (Molecular and Cellular Biosciences) [grant number 1243792 to F.B.]. NR 42 TC 18 Z9 18 U1 1 U2 24 PU COMPANY OF BIOLOGISTS LTD PI CAMBRIDGE PA BIDDER BUILDING CAMBRIDGE COMMERCIAL PARK COWLEY RD, CAMBRIDGE CB4 4DL, CAMBS, ENGLAND SN 0021-9533 EI 1477-9137 J9 J CELL SCI JI J. Cell Sci. PD MAR 1 PY 2014 VL 127 IS 5 BP 947 EP 953 DI 10.1242/jcs.139907 PG 7 WC Cell Biology SC Cell Biology GA AB9LV UT WOS:000332116300004 PM 24424025 ER PT J AU Lehmann, M Ghosh, PM Madison, C Karydas, A Coppola, G O'Neil, JP Huang, YD Miller, BL Jagust, WJ Rabinovici, GD AF Lehmann, Manja Ghosh, Pia M. Madison, Cindee Karydas, Anna Coppola, Giovanni O'Neil, James P. Huang, Yadong Miller, Bruce L. Jagust, William J. Rabinovici, Gil D. TI Greater medial temporal hypometabolism and lower cortical amyloid burden in ApoE4-positive AD patients SO JOURNAL OF NEUROLOGY NEUROSURGERY AND PSYCHIATRY LA English DT Article DE ALZHEIMER'S DISEASE; PET; AMYLOID; GENETICS ID CEREBRAL GLUCOSE-METABOLISM; APOE EPSILON-4 ALLELE; ALZHEIMERS-DISEASE; APOLIPOPROTEIN-E; GENETIC RISK; ONSET; BETA; GENOTYPE; DEMENTIA; ATROPHY AB Background Apolipoprotein E 4 (ApoE4) has been associated with an increased risk of Alzheimer's disease (AD), amyloid deposition and hypometabolism. ApoE4 is less prevalent in non-amnestic AD variants suggesting a direct effect on the clinical phenotype. However, the impact of ApoE4 on amyloid burden and glucose metabolism across different clinical AD syndromes is not well understood. We aimed to assess the relationship between amyloid deposition, glucose metabolism and ApoE4 genotype in a clinically heterogeneous population of AD patients. Methods 52 patients with probable AD (National Institute on Aging-Alzheimer's Association) underwent [C-11]Pittsburgh compound B (PIB) and [F-18]fluorodeoxyglucose (FDG) positron emission tomography (PET) scans. All patients had positive PIB-PET scans. 23 were ApoE4 positive (ApoE4+) (14 heterozygous and 9 homozygous) and 29 were ApoE4 negative (ApoE4-). Groups consisted of language-variant AD, visual-variant AD and AD patients with amnestic and dysexecutive deficits. 52 healthy controls were included for comparison. FDG and PIB uptake was compared between groups on a voxel-wise basis and in regions of interest. Results While PIB patterns were diffuse in both patient groups, ApoE4- patients showed higher PIB uptake than ApoE4+ patients across the cortex. Higher PIB uptake in ApoE4- patients was particularly significant in right lateral frontotemporal regions. In contrast, similar patterns of hypometabolism relative to controls were found in both patient groups, mainly involving lateral temporoparietal cortex, precuneus, posterior cingulate cortex and middle frontal gyrus. Comparing patient groups, ApoE4+ subjects showed greater hypometabolism in bilateral medial temporal and right lateral temporal regions, and ApoE4- patients showed greater hypometabolism in cortical areas, including supplementary motor cortex and superior frontal gyrus. Conclusions ApoE4+ AD patients showed lower global amyloid burden and greater medial temporal hypometabolism compared with matched ApoE4- patients. These findings suggest that ApoE4 may increase susceptibility to molecular pathology and modulate the anatomic pattern of neurodegeneration in AD. C1 [Lehmann, Manja; Ghosh, Pia M.; Karydas, Anna; Miller, Bruce L.; Jagust, William J.; Rabinovici, Gil D.] Univ Calif San Francisco, Dept Neurol, Memory & Aging Ctr, San Francisco, CA USA. [Lehmann, Manja; Ghosh, Pia M.; Madison, Cindee; Jagust, William J.; Rabinovici, Gil D.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA. [Lehmann, Manja] UCL, Natl Hosp Neurol & Neurosurg, Dementia Res Ctr, London WC1N 3BG, England. [Coppola, Giovanni] Univ Calif Los Angeles, David Geffen Sch Med, Semel Inst Neurosci & Human Behav, Dept Psychiat, Los Angeles, CA 90095 USA. [Coppola, Giovanni] Univ Calif Los Angeles, David Geffen Sch Med, Semel Inst Neurosci & Human Behav, Dept Neurol, Los Angeles, CA 90095 USA. [O'Neil, James P.; Jagust, William J.; Rabinovici, Gil D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Huang, Yadong] Univ Calif San Francisco, Dept Neurol, Gladstone Inst Neurol Dis, San Francisco, CA USA. [Huang, Yadong] Univ Calif San Francisco, Dept Pathol, Gladstone Inst Neurol Dis, San Francisco, CA 94140 USA. RP Lehmann, M (reprint author), UCL, Natl Hosp Neurol & Neurosurg, Dementia Res Ctr, Box 16, London WC1N 3BG, England. EM m.lehmann@ucl.ac.uk RI Lehmann, Manja/B-9717-2014 FU Alzheimer's Research UK [ART-TRFUS2011-2]; National Institute on Aging [K23-AG031861, R01-AG027859, P01-AG1972403, P50-AG023501, P01-AG022074]; Alzheimer's Association [NIRG-07-59422, ZEN-08-87090]; John Douglas French Alzheimer's Foundation; State of California Department of Health Services Alzheimer's Disease Research Center of California [04-33516]; Hellman Family Foundation FX This work was supported by an Alzheimer's Research UK grant ART-TRFUS2011-2 to ML; National Institute on Aging grants K23-AG031861 to GDR, R01-AG027859 to WJJ, P01-AG1972403 and P50-AG023501 to BLM and P01-AG022074 to YH; Alzheimer's Association grants NIRG-07-59422 to GDR and ZEN-08-87090 to WJJ; John Douglas French Alzheimer's Foundation to GDR; State of California Department of Health Services Alzheimer's Disease Research Center of California grant 04-33516 to BLM; gift from the S. D. Bechtel, Jr. Foundation to YH and Hellman Family Foundation to GDR and YH. NR 46 TC 14 Z9 14 U1 1 U2 5 PU BMJ PUBLISHING GROUP PI LONDON PA BRITISH MED ASSOC HOUSE, TAVISTOCK SQUARE, LONDON WC1H 9JR, ENGLAND SN 0022-3050 EI 1468-330X J9 J NEUROL NEUROSUR PS JI J. Neurol. Neurosurg. Psychiatry PD MAR PY 2014 VL 85 IS 3 BP 266 EP 273 DI 10.1136/jnnp-2013-305858 PG 8 WC Clinical Neurology; Psychiatry; Surgery SC Neurosciences & Neurology; Psychiatry; Surgery GA AA7HP UT WOS:000331268600009 PM 23965289 ER PT J AU Barcellos-Hoff, MH Adams, C Balmain, A Costes, SV Demaria, S Illa-Bochaca, I Mao, JH Ouyang, H Sebastiano, C Tang, J AF Barcellos-Hoff, Mary Helen Adams, Cassandra Balmain, Allan Costes, Sylvain V. Demaria, Sandra Illa-Bochaca, Irineu Mao, Jian Hua Ouyang, Haoxu Sebastiano, Christopher Tang, Jonathan TI Systems biology perspectives on the carcinogenic potential of radiation SO JOURNAL OF RADIATION RESEARCH LA English DT Article; Proceedings Paper CT Heavy Ions in Therapy and Space Radiation Symposium CY MAY 15-18, 2013 CL Chiba, JAPAN DE ionizing radiation; breast cancer; heavy ion radiation; modeling; initiation; promotion ID INDUCED GENOMIC INSTABILITY; TRACHEAL EPITHELIAL-CELLS; SKIN TUMOR PROGRESSION; AGENT-BASED MODEL; IONIZING-RADIATION; BREAST-CANCER; MESENCHYMAL TRANSITION; GROWTH-FACTOR; STEM-CELLS; MOUSE SKIN AB This review focuses on recent experimental and modeling studies that attempt to define the physiological context in which high linear energy transfer (LET) radiation increases epithelial cancer risk and the efficiency with which it does so. Radiation carcinogenesis is a two-compartment problem: ionizing radiation can alter genomic sequence as a result of damage due to targeted effects (TE) from the interaction of energy and DNA; it can also alter phenotype and multicellular interactions that contribute to cancer by poorly understood non-targeted effects (NTE). Rather than being secondary to DNA damage and mutations that can initiate cancer, radiation NTE create the critical context in which to promote cancer. Systems biology modeling using comprehensive experimental data that integrates different levels of biological organization and time-scales is a means of identifying the key processes underlying the carcinogenic potential of high-LET radiation. We hypothesize that inflammation is a key process, and thus cancer susceptibility will depend on specific genetic predisposition to the type and duration of this response. Systems genetics using novel mouse models can be used to identify such determinants of susceptibility to cancer in radiation sensitive tissues following high-LET radiation. Improved understanding of radiation carcinogenesis achieved by defining the relative contribution of NTE carcinogenic effects and identifying the genetic determinants of the high-LET cancer susceptibility will help reduce uncertainties in radiation risk assessment. C1 [Barcellos-Hoff, Mary Helen; Illa-Bochaca, Irineu; Ouyang, Haoxu] NYU, Sch Med, Dept Radiat Oncol, New York, NY 10016 USA. [Adams, Cassandra; Balmain, Allan] Univ Calif San Francisco, Helen Diller Family Comprehens Canc Ctr, San Francisco, CA 94158 USA. [Costes, Sylvain V.; Mao, Jian Hua; Tang, Jonathan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Demaria, Sandra; Sebastiano, Christopher] NYU, Sch Med, Dept Pathol, New York, NY 10016 USA. RP Barcellos-Hoff, MH (reprint author), NYU, Sch Med, Dept Radiat Oncol, 450 East 29th St, New York, NY 10016 USA. EM mhbarcellos-hoff@nyumc.org OI Barcellos-Hoff, Mary Helen/0000-0002-5994-9558; Demaria, Sandra/0000-0003-4426-0499 NR 108 TC 5 Z9 5 U1 0 U2 4 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0449-3060 EI 1349-9157 J9 J RADIAT RES JI J. Radiat. Res. PD MAR PY 2014 VL 55 SU 1 BP 145 EP 154 DI 10.1093/jrr/rrt211 PG 10 WC Biology; Radiology, Nuclear Medicine & Medical Imaging SC Life Sciences & Biomedicine - Other Topics; Radiology, Nuclear Medicine & Medical Imaging GA AC4GE UT WOS:000332478300003 ER PT J AU Wu, Y Zhang, YW Fan, FY Luo, HM Hu, PZ Shen, YL AF Wu Yun Zhang Youwen Fan Fuyou Luo Huimin Hu Peizhuo Shen Yinglin TI Synthesis of task-specific ionic liquids with grafted diglycolamide moiety. Complexation and stripping of lanthanides SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Task-specific ionic liquids; Diglycolamide; Solvent extraction; Stripping; Lanthanides ID EXTRACTION; WATER; ACTINIDES; SEPARATION; LIGANDS; METALS; SYSTEM; WASTE AB Task-specific ionic liquids (TSILs) of a novel class, with the diglycolamide moietity grafted in the alkyl chain of imidazolium cation, were synthesized and characterized. Lanthanide complexation capabilities of TSILs as active components of solid phase extractants were evaluated by studies on the adsorption of lanthanides from aqueous solutions. The TSIL-based solid adsorbents prepared by immobilization of long-alkyl-chain TSILs in siliceous mesostructured cellular foams adsorb trivalent lanthanides. No extraction of lanthanides from aqueous solution into 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide ([C(6)mim][Nf(2)T]) was observed at any acidity in the presence of these TSILs in the aqueous phase. This implies that TSILs suppress the extraction of lanthanides by formation of water-soluble complexes. The TSILs added to solvent extraction systems consisting of N, N, N ', N '-tetraoctyl-3-oxapentanediamide (TODGA) in [C(6)mim][Nf(2)T] and aqueous HNO3 solutions show very good stripping properties for lanthanides. C1 [Wu Yun] Northwest Univ Nationalities, Lanzhou 730000, Peoples R China. [Zhang Youwen; Fan Fuyou; Hu Peizhuo; Shen Yinglin] Lanzhou Univ, Radiochem Lab, Lanzhou 730000, Peoples R China. [Luo Huimin] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA. RP Shen, YL (reprint author), Lanzhou Univ, Radiochem Lab, Lanzhou 730000, Peoples R China. EM shenyl@lzu.edu.cn FU Basic Energy Science Program of the Office of Science, U.S. Department of Energy [DE-AC05-0096OR22725]; Ph.D. Programs Foundation of Ministry of Education of China [20090211120026]; Oak Ridge National Laboratory FX This research was supported by the Basic Energy Science Program of the Office of Science, U.S. Department of Energy, under Contract DE-AC05-0096OR22725 with Oak Ridge National Laboratory, managed by UT-Battelle and by the Ph.D. Programs Foundation of Ministry of Education of China (20090211120026). NR 16 TC 3 Z9 3 U1 7 U2 57 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 EI 1588-2780 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD MAR PY 2014 VL 299 IS 3 BP 1213 EP 1218 DI 10.1007/s10967-013-2878-z PG 6 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA AB8IU UT WOS:000332034400009 ER PT J AU Stanley, FE Spencer, KJ Schwartz, DS Watrous, MG Delmore, JE AF Stanley, F. E. Spencer, K. J. Schwartz, D. S. Watrous, M. G. Delmore, J. E. TI Investigating enhanced thorium ionization in TIMS using Re/Pt porous ion emitters SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Porous ion emitter; Nuclear forensics; Thermal ionization mass spectrometry; Thorium ID EFFICIENCY; URANIUM AB Thermal ionization mass spectrometry (TIMS) is a widely used, benchmark method in actinide isotopic analyses efforts relevant to various nuclear and geological fields. Despite significant previous use and inherent advantages, however, poor sample ionization continues to hamper the use of TIMS in the measurement of trace species; actinide ionization efficiencies frequently fall below 0.1 % using traditional instrument sources. These low efficiencies seriously limit the ability to measure several highly refractory metals (e. g. U and Th) that may provide key signatures data in non-proliferation, safeguards and forensics efforts. Herein, a relatively new TIMS ion source strategy, employing porous ion emitters (PIEs) atop traditional filament assemblies, is investigated for the first time as a straightforward means of enhancing the ionization of Th, arguably a worst case scenario for TIMS-based actinide measurements. These sources yielded up to 410 % greater Th sample utilization, relative to previously published values and in-house measurements collected using traditional methods. Accompanying scanning electron microscopy investigations provide preliminary insight into the mechanisms of PIE functioning and explore the impacts of extended heating on the constructed source's structure and composition. C1 [Stanley, F. E.; Spencer, K. J.; Schwartz, D. S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Watrous, M. G.; Delmore, J. E.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Stanley, FE (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM floyd@lanl.gov FU US Department of Energy through the LANL/LDRD Program; US Department of Energy/National Nuclear Security Administration Office of Nonproliferation and Verification Research and Development FX The authors gratefully acknowledge the support of the US Department of Energy through the LANL/LDRD Program for portions of this work. Additional support was provided by the US Department of Energy/National Nuclear Security Administration Office of Nonproliferation and Verification Research and Development. This manuscript reviewed and approved under LA-UR-1325890. NR 9 TC 1 Z9 1 U1 1 U2 8 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 EI 1588-2780 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD MAR PY 2014 VL 299 IS 3 BP 1447 EP 1452 DI 10.1007/s10967-013-2813-3 PG 6 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA AB8IU UT WOS:000332034400040 ER PT J AU Meyers, LA Glover, SE LaMont, SP Stalcup, AM Spitz, HB AF Meyers, Lisa A. Glover, Samuel E. LaMont, Stephen P. Stalcup, Apryll M. Spitz, Henry B. TI Radiological chronometry of uranium metal samples SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Nuclear forensics; Uranium metal; Age dating; Etching procedures; MC-ICP-MS ID SPECTROMETRY; FOSSIL; AGE AB Radiological chronometry is an important tool in nuclear forensics that uses several methods to determine the length of time that has elapsed since a material was last purified. One of the chronometers used in determining the age of metallic uranium involves measuring the fractional ingrowth of Th-230 from its parent U-234 with the assumption that the uranium metal contained no impurities, especially thorium, when it was purified. The affects of different etching procedures were evaluated for the removal of surface oxidation with three different types of uranium metal samples to determine whether the etching procedure affects the radiological age. The sample treated with a rigorous etching procedure had exhibited the most reliable radiological age while less rigorous etching yields a radiological age from 15 years to hundreds of years older than the known age. Any excess thorium on the surface of a uranium metal sample presents a bias in age determination and the sample will appear older than the true age. Although this research demonstrates the need for rigorous surface etching, a bias in the radiological age could have arisen if the uranium in the metal was heterogeneously distributed. C1 [Meyers, Lisa A.; Stalcup, Apryll M.] Univ Cincinnati, Dept Chem, Cincinnati, OH 45221 USA. [Glover, Samuel E.; Spitz, Henry B.] Univ Cincinnati, Nucl & Radiol Engn, Cincinnati, OH 45221 USA. [LaMont, Stephen P.] US DOE, Nucl Mat Informat Program, Washington, DC 20585 USA. RP Meyers, LA (reprint author), Univ Cincinnati, Dept Chem, 404 Crosley Tower, Cincinnati, OH 45221 USA. EM meyersls@mail.uc.edu; henry.spitz@uc.edu RI Stalcup, A. M./E-9386-2013 OI Stalcup, A. M./0000-0003-1537-0437 FU U.S. Department of Energy; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; U.S. Department of Homeland Security [2012-DN-130- NF0001-02]; U.S. Department of Homeland Security, Domestic Nuclear Detection Office; U.S. Department of Defense, Defense Threat Reduction Agency FX The authors would like to thank Dr. Ross Williams from Lawrence Livermore National Laboratory for his expertise and assistance with this research. The authors would also like to thank the U.S. Department of Energy's Nuclear Materials Information Program for funding this Project. This work was part performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. This research was part based upon work supported by the U.S. Department of Homeland Security under Grant Award Number, 2012-DN-130- NF0001-02. This research was part performed under the Nuclear Forensics Graduate Fellowship Program, which is sponsored by the U.S. Department of Homeland Security, Domestic Nuclear Detection Office and the U.S. Department of Defense, Defense Threat Reduction Agency. The views and conclusions contained in this document are those of the authors and should not be interpreted as necessarily representing the official policies, either expressed or implied, of the U.S. Department of Homeland Security. NR 12 TC 4 Z9 4 U1 2 U2 22 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 EI 1588-2780 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD MAR PY 2014 VL 299 IS 3 BP 1833 EP 1837 DI 10.1007/s10967-013-2880-5 PG 5 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA AB8IU UT WOS:000332034400086 ER PT J AU Delegard, CH Sinkov, SI Chenault, JW Schmidt, AJ Welsh, TL Pool, KN AF Delegard, C. H. Sinkov, S. I. Chenault, J. W. Schmidt, A. J. Welsh, T. L. Pool, K. N. TI Determination of uranium metal concentration in irradiated fuel storage basin sludge using selective dissolution SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Uranium metal; Uranium oxides; Nuclear fuel storage basin sludge; Phosphoric acid ID ACID AB Irradiated uranium metal fuel was stored underwater in the K East and K West storage basins at the US Department of Energy Hanford Site. The uranium metal under damaged cladding reacted with water to generate hydrogen gas, uranium oxides, and spalled uranium metal particles which intermingled with other particulates to form sludge. While the fuel has been removed, uranium metal in the sludge remains hazardous. An expeditious routine method to analyze 0.03 wt% uranium metal in the presence of >30 wt% total uranium was needed to support safe sludge management and processing. A selective dissolution method was designed based on the rapid uranium oxide dissolution but very low uranium metal corrosion rates in hot concentrated phosphoric acid. The uranium metal-bearing heel from the phosphoric acid step then is rinsed before the uranium metal is dissolved in hot concentrated nitric acid for analysis. Technical underpinnings of the selective dissolution method, including the influence of sludge components, were investigated to design the steps and define the reagents, quantities, concentrations, temperatures, and times within the selective dissolution analysis. Tests with simulant sludge proved the technique feasible. Tests with genuine sludge showed a 0.0028 +/- 0.0037 wt% (at one standard deviation) uranium metal analytical background, a 0.011 wt% detection limit, and a 0.030 wt% quantitation limit in settled (wet) sludge. In tests using genuine K Basin sludge spiked with uranium metal at concentrations above the 0.030 wt% +/- 25 % (relative) quantitation limit, uranium metal recoveries averaged 99.5 % with a relative standard deviation of 3.5 %. C1 [Delegard, C. H.; Sinkov, S. I.; Chenault, J. W.; Schmidt, A. J.; Pool, K. N.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Welsh, T. L.] Miss Support Alliance, Richland, WA 99352 USA. RP Delegard, CH (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM calvin.delegard@pnnl.gov OI Delegard, Calvin/0000-0001-6503-9502 NR 26 TC 0 Z9 0 U1 1 U2 9 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 EI 1588-2780 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD MAR PY 2014 VL 299 IS 3 BP 1871 EP 1882 DI 10.1007/s10967-013-2884-1 PG 12 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA AB8IU UT WOS:000332034400091 ER PT J AU Maxwell, SL Culligan, BK Hutchison, JB AF Maxwell, Sherrod L. Culligan, Brian K. Hutchison, Jay B. TI Rapid determination of actinides in asphalt samples SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Rapid analysis; Plutonium; Actinides; Asphalt; Soil; Emergency ID PLASMA-MASS SPECTROMETRY; ALPHA-SPECTROMETRY; SOIL SAMPLES; PLUTONIUM ISOTOPES; SEPARATION; (NP)-N-237; AMERICIUM; CONCRETE; URANIUM AB A new rapid method for the determination of actinides in asphalt samples has been developed that can be used in emergency response situations or for routine analysis. If a radiological dispersive device, improvised nuclear device or a nuclear accident such as the accident at the Fukushima Nuclear Power Plant in March, 2011 occurs, there will be an urgent need for rapid analyses of many different environmental matrices, including asphalt materials, to support dose mitigation and environmental clean-up. The new method for the determination of actinides in asphalt utilizes a rapid furnace step to destroy bitumen and organics present in the asphalt and sodium hydroxide fusion to digest the remaining sample. Sample preconcentration steps are used to collect the actinides and a new stacked TRU Resin + DGA Resin column method is employed to separate the actinide isotopes in the asphalt samples. The TRU Resin plus DGA Resin separation approach, which allows sequential separation of plutonium, uranium, americium and curium isotopes in asphalt samples, can be applied to soil samples as well. C1 [Maxwell, Sherrod L.; Culligan, Brian K.; Hutchison, Jay B.] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Maxwell, SL (reprint author), Savannah River Natl Lab, Bldg 735-B, Aiken, SC 29808 USA. EM sherrod.maxwell@srs.gov FU Department of Energy, DOE [DE-AC09-96SR18500] FX This work was performed under the auspices of the Department of Energy, DOE Contract No. DE-AC09-96SR18500. The authors wish to acknowledge Staci Britt, Jack Herrington and Becky Chavous for their assistance with this work. NR 16 TC 9 Z9 9 U1 2 U2 13 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 EI 1588-2780 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD MAR PY 2014 VL 299 IS 3 BP 1891 EP 1901 DI 10.1007/s10967-013-2885-0 PG 11 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA AB8IU UT WOS:000332034400093 ER PT J AU Wang, EX Avramov-Zamurovic, S Watkins, RJ Nelson, C Malek-Madani, R AF Wang, Eric X. Avramov-Zamurovic, Svetlana Watkins, Richard J. Nelson, Charles Malek-Madani, Reza TI Probability density function estimation of laser light scintillation via Bayesian mixtures SO JOURNAL OF THE OPTICAL SOCIETY OF AMERICA A-OPTICS IMAGE SCIENCE AND VISION LA English DT Article ID IRRADIANCE FLUCTUATIONS; TURBULENT ATMOSPHERE; INTENSITY; DISTRIBUTIONS; STATISTICS; INFERENCE; MODELS; PATH AB A method for probability density function (PDF) estimation using Bayesian mixtures of weighted gamma distributions, called the Dirichlet process gamma mixture model (DP-GaMM), is presented and applied to the analysis of a laser beam in turbulence. The problem is cast in a Bayesian setting, with the mixture model itself treated as random process. A stick-breaking interpretation of the Dirichlet process is employed as the prior distribution over the random mixture model. The number and underlying parameters of the gamma distribution mixture components as well as the associated mixture weights are learned directly from the data during model inference. A hybrid Metropolis-Hastings and Gibbs sampling parameter inference algorithm is developed and presented in its entirety. Results on several sets of controlled data are shown, and comparisons of PDF estimation fidelity are conducted with favorable results. (C) 2014 Optical Society of America C1 [Wang, Eric X.; Malek-Madani, Reza] Lawrence Livermore Natl Lab, Dept Math, Livermore, CA 94550 USA. [Avramov-Zamurovic, Svetlana] US Naval Acad, Annapolis, MD 21402 USA. [Watkins, Richard J.] US Naval Acad, Mech Engn Dept, Annapolis, MD 21402 USA. [Nelson, Charles] US Naval Acad, Elect Engn Dept, Annapolis, MD 21402 USA. RP Wang, EX (reprint author), Lawrence Livermore Natl Lab, Dept Math, Livermore, CA 94550 USA. EM wang73@llnl.gov NR 43 TC 0 Z9 0 U1 2 U2 5 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1084-7529 EI 1520-8532 J9 J OPT SOC AM A JI J. Opt. Soc. Am. A-Opt. Image Sci. Vis. PD MAR PY 2014 VL 31 IS 3 BP 580 EP 590 DI 10.1364/JOSAA.31.000580 PG 11 WC Optics SC Optics GA AC1AS UT WOS:000332227200017 PM 24690656 ER PT J AU Yamayoshi, S Yamada, S Fukuyama, S Murakami, S Zhao, DM Uraki, R Watanabe, T Tomita, Y Macken, C Neumann, G Kawaoka, Y AF Yamayoshi, Seiya Yamada, Shinya Fukuyama, Satoshi Murakami, Shin Zhao, Dongming Uraki, Ryuta Watanabe, Tokiko Tomita, Yuriko Macken, Catherine Neumann, Gabriele Kawaoka, Yoshihiro TI Virulence-Affecting Amino Acid Changes in the PA Protein of H7N9 Influenza A Viruses SO JOURNAL OF VIROLOGY LA English DT Article ID HUMAN TRANSMISSIBILITY; MAXIMUM-LIKELIHOOD; HUMAN INFECTIONS; MOLECULAR-BASIS; RNA-POLYMERASE; H5N1; FERRETS; HUMANS; HOST; REPLICATION AB Novel avian-origin influenza A(H7N9) viruses were first reported to infect humans in March 2013. To date, 143 human cases, including 45 deaths, have been recorded. By using sequence comparisons and phylogenetic and ancestral inference analyses, we identified several distinct amino acids in the A(H7N9) polymerase PA protein, some of which may be mammalian adapting. Mutant viruses possessing some of these amino acid changes, singly or in combination, were assessed for their polymerase activities and growth kinetics in mammalian and avian cells and for their virulence in mice. We identified several mutants that were slightly more virulent in mice than the wild-type A(H7N9) virus, A/Anhui/1/2013. These mutants also exhibited increased polymerase activity in human cells but not in avian cells. Our findings indicate that the PA protein of A(H7N9) viruses has several amino acid substitutions that are attenuating in mammals. C1 [Yamayoshi, Seiya; Yamada, Shinya; Uraki, Ryuta; Kawaoka, Yoshihiro] Univ Tokyo, Inst Med Sci, Dept Microbiol & Immunol, Div Virol, Tokyo, Japan. [Fukuyama, Satoshi; Zhao, Dongming; Watanabe, Tokiko; Tomita, Yuriko; Kawaoka, Yoshihiro] Japan Sci & Technol Agcy, ERATO Infect Induced Host Responses Project, Saitama, Japan. [Murakami, Shin; Kawaoka, Yoshihiro] Univ Tokyo, Inst Med Sci, Dept Special Pathogens, Int Res Ctr Infect Dis,Minato Ku, Tokyo, Japan. [Macken, Catherine] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA. [Neumann, Gabriele; Kawaoka, Yoshihiro] Univ Wisconsin, Sch Vet Med, Dept Pathobiol Sci, Madison, WI 53706 USA. RP Kawaoka, Y (reprint author), Univ Tokyo, Inst Med Sci, Dept Microbiol & Immunol, Div Virol, Tokyo, Japan. EM kawaokay@svm.vetmed.wisc.edu RI Yamayoshi, Seiya/C-1982-2013 FU Ministry of Education, Culture, Sports, Science, and Technology of Japan; Ministry of Health, Labor, and Welfare, Japan; ERATO (Japan Science and Technology Agency); NIAID-funded Center for Research on Influenza Pathogenesis [HHSN266200700010C] FX This study was supported by the Japan Initiative for Global Research Network on Infectious Diseases from the Ministry of Education, Culture, Sports, Science, and Technology of Japan, by grants-in-aid from the Ministry of Health, Labor, and Welfare, Japan, by ERATO (Japan Science and Technology Agency), and by a NIAID-funded Center for Research on Influenza Pathogenesis grant (HHSN266200700010C). NR 36 TC 25 Z9 27 U1 1 U2 12 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0022-538X EI 1098-5514 J9 J VIROL JI J. Virol. PD MAR PY 2014 VL 88 IS 6 BP 3127 EP 3134 DI 10.1128/JVI.03155-13 PG 8 WC Virology SC Virology GA AB9PA UT WOS:000332126000007 PM 24371069 ER PT J AU Hong, L Dhupia, JS Sheng, SW AF Hong, Liu Dhupia, Jaspreet Singh Sheng, Shuangwen TI An explanation of frequency features enabling detection of faults in equally spaced planetary gearbox SO MECHANISM AND MACHINE THEORY LA English DT Article DE Planetary gear set; Modulation; Gear fault; Diagnosis ID DYNAMIC-BEHAVIOR; VIBRATION; DEMODULATION; DEFECT; PHASE; MODEL; SETS; BAND AB Equally spaced planetary gearboxes are important power-train components for varied engineering systems. Their failures can result in significant capital losses and pose safety concerns. The vibration measurements perceived by a sensor mounted on the gearbox housing can provide valuable diagnostic information without normal gearbox operation interference. However, such vibration based monitoring techniques are difficult to implement in planetary gearboxes because of the complex nature of measured vibration spectra that is a result of planets revolving with respect to the stationary sensors mounted on the gearbox housing. Previous research with simulations and experiments using such measurements has reported distinct sideband patterns in the resulting vibration spectra, which differ significantly from the spectra of a normal fixed-axis/parallel gear pair system. In this paper, Fourier series analysis is used to explain these distinct sideband patterns that contain rich diagnostic information. The results obtained are useful to understand the cause of the observed vibration behavior in both healthy and faulty planetary gearboxes and identify the locations of additional frequency components introduced by the damaged gear in a complex measured vibration spectrum. Thus, the formulation presented in this paper can assist in developing robust feature extraction algorithms for early detection of planetary gearbox failures. The theoretical derivations presented in this paper are validated by both dynamic simulations and experiments on a dynamometer test bed using a 750 kW gearbox damaged during its operation while installed in a wind turbine. The predicted frequencies for observed faults in the annulus and sun gears of the gearbox are vividly presented in the experimentally measured frequency spectrum. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Hong, Liu; Dhupia, Jaspreet Singh] Nanyang Technol Univ, Sch Mech & Aerosp Engn, Singapore 639798, Singapore. [Sheng, Shuangwen] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Dhupia, JS (reprint author), Nanyang Technol Univ, Sch Mech & Aerosp Engn, Div Mechatron & Design, 50 Nanyang Ave, Singapore 639798, Singapore. EM djaspreet@ntu.edu.sg RI Dhupia, Jaspreet /A-3818-2011; Hong, Liu/P-4922-2016; OI Dhupia, Jaspreet /0000-0001-7181-1917; Hong, Liu/0000-0003-3760-1259; sheng, shuangwen/0000-0003-0134-0907 FU Ministry of Education, Singapore [RG11/09]; U.S. Department of Energy; NREL FX The authors are pleased to acknowledge the financial support of the Ministry of Education, Singapore (grant number: RG11/09). The authors also thank the U.S. Department of Energy and the NREL Gearbox Reliability Collaborative project partners for their support to this work. NR 31 TC 17 Z9 17 U1 1 U2 49 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0094-114X J9 MECH MACH THEORY JI Mech. Mach. Theory PD MAR PY 2014 VL 73 BP 169 EP 183 DI 10.1016/j.mechmachtheory.2013.10.014 PG 15 WC Engineering, Mechanical SC Engineering GA AC3FA UT WOS:000332399300012 ER PT J AU Deng, Y Olson, DG Zhou, JL Herring, CD Shaw, AJ Lynd, LR AF Deng, Yu Olson, Daniel G. Zhou, Jilai Herring, Christopher D. Shaw, A. Joe Lynd, Lee R. TI Redirecting carbon flux through exogenous pyruvate kinase to achieve high ethanol yields in Clostridium thermocellum (vol 15, pg 151, 2013) SO METABOLIC ENGINEERING LA English DT Correction C1 [Deng, Yu; Olson, Daniel G.; Zhou, Jilai; Herring, Christopher D.; Lynd, Lee R.] Dartmouth Coll, Thayer Sch Engn, Hanover, NH 03755 USA. [Herring, Christopher D.; Lynd, Lee R.] Mascoma Corp, Lebanon, NH 03766 USA. [Deng, Yu; Olson, Daniel G.; Zhou, Jilai; Herring, Christopher D.; Lynd, Lee R.] BioEnergy Sci Ctr, Oak Ridge, TN 37830 USA. [Shaw, A. Joe] Novogy Inc, Cambridge, MA 02138 USA. RP Lynd, LR (reprint author), Dartmouth Coll, Thayer Sch Engn Dartmouth, Engn Dr,8000 Cummings Hall, Hanover, NH 03755 USA. EM Lee.Lynd@Dartmouth.edu RI Olson, Daniel/F-2058-2011 OI Olson, Daniel/0000-0001-5393-6302 NR 1 TC 0 Z9 0 U1 0 U2 12 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1096-7176 EI 1096-7184 J9 METAB ENG JI Metab. Eng. PD MAR PY 2014 VL 22 BP 1 EP 2 DI 10.1016/j.ymben.2013.11.006 PG 2 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA AC3KG UT WOS:000332416200001 ER PT J AU Tsapatsaris, N Kolesov, BA Fischer, J Boldyreva, EV Daemen, L Eckert, J Bordallo, HN AF Tsapatsaris, Nikolaos Kolesov, Boris A. Fischer, Jennifer Boldyreva, Elena V. Daemen, Luke Eckert, Juergen Bordallo, Heloisa N. TI Polymorphism of Paracetamol: A New Understanding of Molecular Flexibility through Local Methyl Dynamics SO MOLECULAR PHARMACEUTICS LA English DT Article DE molecular drugs; polymorphism; inelastic neutron scattering; methyl rotation; hydrogen bonding; DFT calculations ID INELASTIC NEUTRON-SCATTERING; INTERMOLECULAR HYDROGEN-BONDS; P-HYDROXYACETANILIDE; VARIABLE-TEMPERATURE; ORTHORHOMBIC POLYMORPH; N-METHYLACETAMIDE; CRYSTAL-STRUCTURE; MONOCLINIC FORM; HIGH-RESOLUTION; LINE-SHAPES AB This study focuses on the interplay of molecular flexibility and hydrogen bonding manifested in the monoclinic (form I) and orthorhombic (form II) polymorphs of paracetamol. By means of incoherent inelastic neutron scattering and density functional theory calculations, the relaxation processes related to the methyl side-group reorientation were analyzed in detail. Our computational study demonstrates the importance of considering quantum effects to explain how methyl reorientations and subtle conformational changes of the molecule are intertwined. Indeed, by analyzing the quasi elastic signal of the neutron data, we were able to show a unique and complex motional flexibility in form II, reflected by a coupling between the methyl and the phenyl reorientation. This is associated with a higher energy barrier of the methyl rotation and a lower Gibbs free energy when compared to form I. We put forward the idea that correlating solubility and molecular flexibility, through the relation between pK(a) and methyl rotation activation energy, might bring new insights to understanding and predicting drug bioavailability. C1 [Tsapatsaris, Nikolaos; Bordallo, Heloisa N.] European Spallat Source ESS AB, S-22100 Lund, Sweden. [Kolesov, Boris A.] Inst Inorgan Chem SB RAS, Novosibirsk 630090, Russia. [Kolesov, Boris A.; Boldyreva, Elena V.] REC 008 Novosibirsk State Univ, Novosibirsk 630090, Russia. [Fischer, Jennifer] Forschungszentrum Julich, D-52425 Julich, Germany. [Boldyreva, Elena V.] Inst Solid State Chem & Mechanochem SB RAS, Novosibirsk 630128, Russia. [Daemen, Luke; Eckert, Juergen] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Eckert, Juergen] Univ S Florida, Dept Chem, Tampa, FL 33620 USA. [Bordallo, Heloisa N.] Niels Bohr Inst, DK-2100 Copenhagen, Denmark. RP Tsapatsaris, N (reprint author), European Spallat Source ESS AB, POB 176, S-22100 Lund, Sweden. EM nikolaos.tsapatsaris@esss.se; bordallo@nbi.ku.dk RI Tsapatsaris, Nikolaos/C-7443-2014; Bordallo, Heloisa/I-6836-2012; OI Bordallo, Heloisa/0000-0003-0750-0553; Tsapatsaris, Nikolaos/0000-0003-0226-8345; Boldyreva, Elena/0000-0002-1401-2438 FU Department of Energy's Office of Basic Energy Sciences; Los Alamos National Security LLC under DOE [DE-AC52-06NA25396]; Russian Ministry of Science and Education [14.B37.21.1093] FX H.N.B. and N.T. acknowledge the support of the Helmholtz-Center Berlin (Helmholtz Zentrum Berlin, HZB) for providing some of the neutron research facilities used in this work. This work has also benefited from the use of the Manuel Lujan, Jr. Neutron Scattering Center at Los Alamos National Laboratory and funding from the Department of Energy's Office of Basic Energy Sciences. Los Alamos National Laboratory (LANL) is operated by Los Alamos National Security LLC under DOE contract DE-AC52-06NA25396. E.V.B. acknowledges the Russian Academy of Sciences and the financial support provided by the Russian Ministry of Science and Education (project 14.B37.21.1093). J.E. thanks the Physics and Chemistry of Materials Group (T-1) at LANL for making computing resources available. Last, N.T. thanks Andrew Jackson, Paul Henry, Esko Oksanen, and Hanna Wacklin at the European Spa Ration Source for many fruitful discussions. NR 56 TC 9 Z9 9 U1 7 U2 43 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1543-8384 J9 MOL PHARMACEUT JI Mol. Pharm. PD MAR PY 2014 VL 11 IS 3 BP 1032 EP 1041 DI 10.1021/mp400707m PG 10 WC Medicine, Research & Experimental; Pharmacology & Pharmacy SC Research & Experimental Medicine; Pharmacology & Pharmacy GA AC2QI UT WOS:000332348600036 PM 24506163 ER PT J AU Sutter, PM Lavaux, G Wandelt, BD Weinberg, DH Warren, MS AF Sutter, P. M. Lavaux, Guilhem Wandelt, Benjamin D. Weinberg, David H. Warren, Michael S. TI The dark matter of galaxy voids SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE large-scale structure of Universe ID OSCILLATION SPECTROSCOPIC SURVEY; HALO OCCUPATION DISTRIBUTION; DIGITAL SKY SURVEY; COSMIC VOIDS; REDSHIFT SURVEY; DYNAMICAL PROPERTIES; DATA RELEASE; SIMULATIONS; SPACE; EVOLUTION AB How do observed voids relate to the underlying dark matter distribution? To examine the spatial distribution of dark matter contained within voids identified in galaxy surveys, we apply Halo Occupation Distribution models representing sparsely and densely sampled galaxy surveys to a high-resolution N-body simulation. We compare these galaxy voids to voids found in the halo distribution, low-resolution dark matter and high-resolution dark matter. We find that voids at all scales in densely sampled surveys - and medium- to large-scale voids in sparse surveys - trace the same underdensities as dark matter, but they are larger in radius by similar to 20 per cent, they have somewhat shallower density profiles and they have centres offset by similar to 0.4R(v) rms. However, in void-to-void comparison we find that shape estimators are less robust to sampling, and the largest voids in sparsely sampled surveys suffer fragmentation at their edges. We find that voids in galaxy surveys always correspond to underdensities in the dark matter, though the centres may be offset. When this offset is taken into account, we recover almost identical radial density profiles between galaxies and dark matter. All mock catalogues used in this work are available at http://www.cosmicvoids.net. C1 [Sutter, P. M.; Lavaux, Guilhem; Wandelt, Benjamin D.] Univ Paris 06, UMR7095, Inst Astrophys Paris, F-75014 Paris, France. [Sutter, P. M.; Lavaux, Guilhem; Wandelt, Benjamin D.] CNRS, UMR7095, Inst Astrophys Paris, F-75014 Paris, France. [Sutter, P. M.; Weinberg, David H.] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. [Sutter, P. M.; Wandelt, Benjamin D.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Lavaux, Guilhem] Univ Waterloo, Dept Phys & Astron, Waterloo, ON N2L 3G1, Canada. [Lavaux, Guilhem] Perimeter Inst Theoret Phys, Waterloo, ON N2L 2Y5, Canada. [Lavaux, Guilhem] Canadian Inst Theoret Astrophys, Toronto, ON M5S 3H8, Canada. [Wandelt, Benjamin D.] Univ Illinois, Dept Astron, Urbana, IL 61801 USA. [Weinberg, David H.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Warren, Michael S.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Sutter, PM (reprint author), Univ Paris 06, UMR7095, Inst Astrophys Paris, F-75014 Paris, France. EM psutter2@illinois.edu OI WANDELT, Benjamin/0000-0002-5854-8269; Lavaux, Guilhem/0000-0003-0143-8891 FU NSF [AST-0908902, AST-0708849, AST-1009505]; ANR Chaire d'Excellence; UPMC Chaire Internationale in Theoretical Cosmology; CITA National Fellowship; Government of Canada; Government of Canada through Industry Canada; Province of Ontario through the Ministry of Research and Innovation FX The authors would like to thank Nico Hamaus for useful comments. PMS and BDW acknowledge support from NSF Grant AST-0908902. BDW acknowledges funding from an ANR Chaire d'Excellence, the UPMC Chaire Internationale in Theoretical Cosmology, and NSF grants AST-0908902 and AST-0708849. GL acknowledges support from CITA National Fellowship and financial support from the Government of Canada Post-Doctoral Research Fellowship. Research at Perimeter Institute is supported by the Government of Canada through Industry Canada and by the Province of Ontario through the Ministry of Research and Innovation. DW acknowledges support from NSF Grant AST-1009505. NR 52 TC 26 Z9 26 U1 0 U2 7 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD MAR PY 2014 VL 438 IS 4 BP 3177 EP 3187 DI 10.1093/mnras/stt2425 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AB8KD UT WOS:000332038000035 ER PT J AU Santer, BD Bonfils, C Painter, JF Zelinka, MD Mears, C Solomon, S Schmidt, GA Fyfe, JC Cole, JNS Nazarenko, L Taylor, KE Wentz, FJ AF Santer, Benjamin D. Bonfils, Celine Painter, Jeffrey F. Zelinka, Mark D. Mears, Carl Solomon, Susan Schmidt, Gavin A. Fyfe, John C. Cole, Jason N. S. Nazarenko, Larissa Taylor, Karl E. Wentz, Frank J. TI Volcanic contribution to decadal changes in tropospheric temperature SO NATURE GEOSCIENCE LA English DT Article ID CLIMATE; TRENDS; MODEL AB Despite continued growth in atmospheric levels of greenhouse gases, global mean surface and tropospheric temperatures have shown slower warming since 1998 than previously(1-5). Possible explanations for the slow-down include internal climate variability(3,4,6,7), external cooling influences(1,2,4,8-11) and observational errors(12,13). Several recent modelling studies have examined the contribution of early twenty-first-century volcanic eruptions(1,2,4,8) to the muted surface warming. Here we present a detailed analysis of the impact of recent volcanic forcing on tropospheric temperature, based on observations as well as climate model simulations. We identify statistically significant correlations between observations of stratospheric aerosol optical depth and satellite-based estimates of both tropospheric temperature and short-wave fluxes at the top of the atmosphere. We show that climate model simulations without the effects of early twenty-first-century volcanic eruptions overestimate the tropospheric warming observed since 1998. In two simulations with more realistic volcanic influences following the 1991 Pinatubo eruption, differences between simulated and observed tropospheric temperature trends over the period 1998 to 2012 are up to 15% smaller, with large uncertainties in the magnitude of the effect. To reduce these uncertainties, better observations of eruption-specific properties of volcanic aerosols are needed, as well as improved representation of these eruption-specific properties in climate model simulations. C1 [Santer, Benjamin D.; Bonfils, Celine; Painter, Jeffrey F.; Zelinka, Mark D.; Taylor, Karl E.] Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA 94550 USA. [Mears, Carl; Wentz, Frank J.] Remote Sensing Syst, Santa Rosa, CA 95401 USA. [Solomon, Susan] MIT, Cambridge, MA 02139 USA. [Schmidt, Gavin A.; Nazarenko, Larissa] NASA, Goddard Inst Space Studies, New York, NY 10025 USA. [Fyfe, John C.; Cole, Jason N. S.] Environm Canada, Canadian Ctr Climate Modelling & Anal, Victoria, BC V8W 2Y2, Canada. RP Santer, BD (reprint author), Lawrence Livermore Natl Lab, Program Climate Model Diag & Intercomparison, Livermore, CA 94550 USA. EM santer1@llnl.gov RI Schmidt, Gavin/D-4427-2012; Taylor, Karl/F-7290-2011; Santer, Benjamin/F-9781-2011; Zelinka, Mark/C-4627-2011; OI Schmidt, Gavin/0000-0002-2258-0486; Taylor, Karl/0000-0002-6491-2135; Zelinka, Mark/0000-0002-6570-5445; Cole, Jason/0000-0003-0450-2748 FU U.S. Department of Energy [DE-AC52-07NA27344]; DOE/OBER Early Career Research Program Award [SCW1295] FX We acknowledge the World Climate Research Programme's Working Group on Coupled Modelling, which is responsible for CMIP, and we thank the climate modelling groups for producing and making available their model output. For CMIP, the US Department of Energy's Program for Climate Model Diagnosis and Intercomparison (PCMDI) provides coordinating support and led development of software infrastructure in partnership with the Global Organization for Earth System Science Portals. J-P. Vernier (NASA Langley) and M. Sato (GISS) supplied updated SAOD data. T. M. L. Wigley (University of Adelaide), N. Gillett (Canadian Centre for Climate Modelling and Analysis), A. Robock (Rutgers University), K. Trenberth (National Center for Atmospheric Research) and S. F. B. Tett (University of Edinburgh) provided helpful comments. At PCMDI, work by B. D. S., J.P., M.Z. and K. E. T. was performed under the auspices of the U.S. Department of Energy under contract DE-AC52-07NA27344; C. B. was supported by the DOE/OBER Early Career Research Program Award SCW1295. NR 28 TC 105 Z9 113 U1 14 U2 108 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1752-0894 EI 1752-0908 J9 NAT GEOSCI JI Nat. Geosci. PD MAR PY 2014 VL 7 IS 3 BP 185 EP 189 DI 10.1038/NGEO2098 PG 5 WC Geosciences, Multidisciplinary SC Geology GA AB9DB UT WOS:000332088800011 ER PT J AU Davies, PK Guiton, BS AF Davies, Peter K. Guiton, Beth S. TI Nanoscale phase separation in perovskites revisited Reply SO NATURE MATERIALS LA English DT Letter ID OXIDES C1 [Davies, Peter K.] Univ Penn, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. [Guiton, Beth S.] Univ Kentucky, Dept Chem, Lexington, KY 40506 USA. [Guiton, Beth S.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN USA. RP Davies, PK (reprint author), Univ Penn, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA. EM davies@seas.upenn.edu NR 8 TC 3 Z9 3 U1 4 U2 35 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 EI 1476-4660 J9 NAT MATER JI Nat. Mater. PD MAR PY 2014 VL 13 IS 3 BP 217 EP 218 DI 10.1038/nmat3866 PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA AB7BV UT WOS:000331945200003 PM 24553640 ER PT J AU Leone, SR McCurdy, CW Burgdoerfer, J Cederbaum, LS Chang, Z Dudovich, N Feist, J Greene, CH Ivanov, M Kienberger, R Keller, U Kling, MF Loh, ZH Pfeifer, T Pfeiffer, AN Santra, R Schafer, K Stolow, A Thumm, U Vrakking, MJJ AF Leone, Stephen R. McCurdy, C. William Burgdoerfer, Joachim Cederbaum, Lorenz S. Chang, Zenghu Dudovich, Nirit Feist, Johannes Greene, Chris H. Ivanov, Misha Kienberger, Reinhard Keller, Ursula Kling, Matthias F. Loh, Zhi-Heng Pfeifer, Thomas Pfeiffer, Adrian N. Santra, Robin Schafer, Kenneth Stolow, Albert Thumm, Uwe Vrakking, Marc J. J. TI What will it take to observe processes in 'real time'? SO NATURE PHOTONICS LA English DT Article ID ELECTRON CORRELATION; SPECTROSCOPY; DYNAMICS; MOLECULES; PHYSICS C1 [Leone, Stephen R.; Pfeiffer, Adrian N.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Leone, Stephen R.; Pfeiffer, Adrian N.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Leone, Stephen R.; McCurdy, C. William; Pfeiffer, Adrian N.] Univ Calif Berkeley, Ultrafast Xray Sci Lab, Div Chem Sci, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [McCurdy, C. William] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. [Burgdoerfer, Joachim] Vienna Univ Technol, Inst Theoret Phys, A-1040 Vienna, Austria. [Cederbaum, Lorenz S.] Heidelberg Univ, D-69120 Heidelberg, Germany. [Chang, Zenghu] Univ Cent Florida, CREOL, Orlando, FL 32816 USA. [Chang, Zenghu] Univ Cent Florida, Dept Phys, Orlando, FL 32816 USA. [Dudovich, Nirit] Weizmann Inst Sci, Dept Phys & Complex Syst, IL-76100 Rehovot, Israel. [Feist, Johannes] Univ Autonoma Madrid, Dept Fis Teor Mat Condensada, E-28049 Madrid, Spain. [Greene, Chris H.] Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA. [Ivanov, Misha; Vrakking, Marc J. J.] Max Born Inst, D-12489 Berlin, Germany. [Ivanov, Misha] Humboldt Univ, Dept Phys, D-12489 Berlin, Germany. [Ivanov, Misha] Univ London Imperial Coll Sci Technol & Med, Dept Phys, London SW7 2AZ, England. [Kienberger, Reinhard; Kling, Matthias F.] Max Planck Inst Quantum Opt, D-85748 Garching, Germany. [Kienberger, Reinhard] Tech Univ Munich, Dept Phys, D-85748 Garching, Germany. [Keller, Ursula] Swiss Fed Inst Technol, Dept Phys, CH-8093 Zurich, Switzerland. [Kling, Matthias F.] Univ Munich, Dept Phys, D-85748 Garching, Germany. [Loh, Zhi-Heng] Nanyang Technol Univ, Div Chem & Biol Chem, S-637371 Singapore, Singapore. [Loh, Zhi-Heng] Nanyang Technol Univ, Div Phys & Appl Phys, Sch Phys & Math Sci, S-637371 Singapore, Singapore. [Pfeifer, Thomas] Max Planck Inst Kernphys, D-69117 Heidelberg, Germany. [Pfeifer, Thomas] Heidelberg Univ, Ctr Quantum Dynam, D-69120 Heidelberg, Germany. [Pfeiffer, Adrian N.] Univ Jena, Inst Opt & Quantum Elect, D-07743 Jena, Germany. [Santra, Robin] DESY, Ctr Free Electron Laser Sci, D-22607 Hamburg, Germany. [Santra, Robin] Univ Hamburg, Dept Phys, D-20355 Hamburg, Germany. [Schafer, Kenneth] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. [Stolow, Albert] Univ Ottawa, Dept Phys, Ottawa, ON K1N 6N5, Canada. [Stolow, Albert] Queens Univ, Dept Chem, Kingston, ON K7L 3N6, Canada. [Stolow, Albert] Queens Univ, Dept Phys, Kingston, ON K7L 3N6, Canada. [Stolow, Albert] Natl Res Council Canada, Emerging Technol Div, SDT, Ottawa, ON K1A OR6, Canada. [Thumm, Uwe] Kansas State Univ, Dept Phys, JR Macdonald Lab, Manhattan, KS 66506 USA. RP Leone, SR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM srl@berkeley.edu RI Schafer, Katrin/P-4728-2015; Pfeiffer, Adrian/J-7671-2016; Keller, Ursula/N-2437-2016; Loh, Zhi-Heng/B-6952-2011; Santra, Robin/E-8332-2014; Greene, Chris/C-3821-2011; Feist, Johannes/J-7394-2012 OI Keller, Ursula/0000-0002-1689-8041; Loh, Zhi-Heng/0000-0001-9729-9632; Santra, Robin/0000-0002-1442-9815; Greene, Chris/0000-0002-2096-6385; Feist, Johannes/0000-0002-7972-0646 NR 25 TC 64 Z9 64 U1 8 U2 170 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1749-4885 EI 1749-4893 J9 NAT PHOTONICS JI Nat. Photonics PD MAR PY 2014 VL 8 IS 3 BP 162 EP 166 DI 10.1038/nphoton.2014.48 PG 5 WC Optics; Physics, Applied SC Optics; Physics GA AC0YJ UT WOS:000332221100002 ER PT J AU Blok, MS Bonato, C Markham, ML Twitchen, DJ Dobrovitski, VV Hanson, R AF Blok, M. S. Bonato, C. Markham, M. L. Twitchen, D. J. Dobrovitski, V. V. Hanson, R. TI Manipulating a qubit through the backaction of sequential partial measurements and real-time feedback SO NATURE PHYSICS LA English DT Article ID QUANTUM FEEDBACK; ENTANGLEMENT; SPINS AB Quantum measurements not only extract information from a system but also alter its state. Although the outcome of the measurement is probabilistic, the backaction imparted on the measured system is accurately described by quantum theory(1-3). Therefore, quantum measurements can be exploited for manipulating quantum systems without the need for control fields(4-6). We demonstrate measurement-only state manipulation on a nuclear spin qubit in diamond by adaptive partial measurements. We implement the partial measurement via tunable correlation with an electron ancilla qubit and subsequent ancilla readout(7,8). We vary the measurement strength to observe controlled wavefunction collapse and find post-selected quantum weak values(8-10). By combining a novel quantum non-demolition readout on the ancilla with real-time adaptation of the measurement strength we realize steering of the nuclear spin to a target state by measurements alone. Besides being of fundamental interest, adaptive measurements can improve metrology applications(11-13) and are key to measurement-based quantum computing(14,15). C1 [Blok, M. S.; Bonato, C.; Hanson, R.] Delft Univ Technol, Kavli Inst Nanosci Delft, NL-2600 GA Delft, Netherlands. [Markham, M. L.; Twitchen, D. J.] Element Six Ltd, Ascot SL5 8BP, Berks, England. [Dobrovitski, V. V.] Ames Lab, Ames, IA 50011 USA. [Dobrovitski, V. V.] Iowa State Univ, Ames, IA 50011 USA. RP Hanson, R (reprint author), Delft Univ Technol, Kavli Inst Nanosci Delft, POB 5046, NL-2600 GA Delft, Netherlands. EM r.hanson@tudelft.nl RI Hanson, Ronald/B-9555-2008; OI Bonato, Cristian/0000-0003-1550-8483 FU Dutch Organization for Fundamental Research on Matter (FOM); DARPA QuASAR programme; EU DIAMANT programme; EU S3NANO programme; European Research Council; US Department of Energy Basic Energy Sciences [DE AC02 07CH11358] FX We thank L. DiCarlo, G. De Lange and L. Vandersypen for helpful discussions and comments, and R. N. Schouten and M. J. Tiggelman for technical assistance. We acknowledge support from the Dutch Organization for Fundamental Research on Matter (FOM), the DARPA QuASAR programme, the EU DIAMANT and S3NANO programmes and the European Research Council through a Starting Grant. Work at the Ames Laboratory was supported by the US Department of Energy Basic Energy Sciences under contract no. DE AC02 07CH11358. NR 30 TC 20 Z9 20 U1 6 U2 35 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1745-2473 EI 1745-2481 J9 NAT PHYS JI Nat. Phys. PD MAR PY 2014 VL 10 IS 3 BP 189 EP 193 DI 10.1038/NPHYS2881 PG 5 WC Physics, Multidisciplinary SC Physics GA AC0LK UT WOS:000332185900013 ER PT J AU Analytis, JG Kuo, HH McDonald, RD Wartenbe, M Rourke, PMC Hussey, NE Fisher, IR AF Analytis, James G. Kuo, H-H. McDonald, Ross D. Wartenbe, Mark Rourke, P. M. C. Hussey, N. E. Fisher, I. R. TI Transport near a quantum critical point in BaFe2(As1-xPx)(2) SO NATURE PHYSICS LA English DT Article ID KADOWAKI-WOODS RATIO; FERMI-LIQUID; RESISTIVITY; SUPERCONDUCTORS; SCATTERING; METALS AB The physics of quantum critical phase transitions connects to some of the most difficult problems in condensed matter physics, including metal-insulator transitions, frustrated magnetism and high-temperature superconductivity. Near a quantum critical point, a new kind of metal emerges, the thermodynamic and transport properties of which do not fit into the unified phenomenology for conventional metals-the Landau Fermi-liquid theory-characterized by a low-temperature limiting T-linear specific heat and a T-2 resistivity(1). Studying the evolution of the temperature dependence of these observables as a function of a control parameter leads to the identification of both the presence and the nature of the quantum phase transition in candidate systems. In this study we measure the transport properties of BaFe2(As1-xPx)(2) below the critical temperature T-c by suppressing superconductivity with high magnetic fields. At sufficiently low temperatures, the resistivity of all compositions (x >= 0.31) crosses over from a linear to a quadratic temperature dependence, consistent with a low-temperature Fermi-liquid ground state. As compositions with optimal T-c are approached from the overdoped side, this crossover becomes steeper, consistent with models of quantum criticality where the effective Fermi temperature T-F goes to zero. C1 [Analytis, James G.; Kuo, H-H.; Fisher, I. R.] Stanford Inst Mat & Energy Sci, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Analytis, James G.; Fisher, I. R.] Stanford Univ, Geballe Lab Adv Mat, Stanford, CA 94305 USA. [Analytis, James G.; Fisher, I. R.] Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA. [Analytis, James G.; Wartenbe, Mark] Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. [Analytis, James G.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Kuo, H-H.] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. [McDonald, Ross D.] Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. [Rourke, P. M. C.; Hussey, N. E.] Univ Bristol, HH Wills Phys Lab, Bristol BS8 1TL, Avon, England. [Hussey, N. E.] Radboud Univ Nijmegen, Inst Mol & Mat, High Field Magnet Lab, NL-6525 ED Nijmegen, Netherlands. RP Analytis, JG (reprint author), Stanford Inst Mat & Energy Sci, SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. EM analytis@berkeley.edu RI Hussey, Nigel/F-9699-2015; OI Rourke, Patrick/0000-0001-7875-9592 FU US DOE, Office of Basic Energy Sciences [DE-AC02-76SF00515]; Royal Society Wolfson Research Merit Award; EPSRC (UK) [EP/K016709/1]; NSF/DMR [1157490]; US DOE BES-'Science of 100 tesla' FX H-H.K., J.G.A. and I.R.F. acknowledge support of the US DOE, Office of Basic Energy Sciences under contract DE-AC02-76SF00515. J.G.A. would like to thank the NHMFL Visiting Scientist Program for valuable support while this data was taken. N.E.H. acknowledges a Royal Society Wolfson Research Merit Award and funding from the EPSRC (UK) grant EP/K016709/1. The National High Magnetic Field Laboratory is supported through NSF/DMR 1157490. R.D.M. acknowledges US DOE BES-'Science of 100 tesla'. NR 25 TC 32 Z9 32 U1 9 U2 74 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1745-2473 EI 1745-2481 J9 NAT PHYS JI Nat. Phys. PD MAR PY 2014 VL 10 IS 3 BP 194 EP 197 DI 10.1038/NPHYS2869 PG 4 WC Physics, Multidisciplinary SC Physics GA AC0LK UT WOS:000332185900014 ER PT J AU Loarte, A Huijsmans, G Futatani, S Baylor, LR Evans, TE Orlov, DM Schmitz, O Becoulet, M Cahyna, P Gribov, Y Kavin, A Naik, AS Campbell, DJ Casper, T Daly, E Frerichs, H Kischner, A Laengner, R Lisgo, S Pitts, RA Saibene, G Wingen, A AF Loarte, A. Huijsmans, G. Futatani, S. Baylor, L. R. Evans, T. E. Orlov, D. M. Schmitz, O. Becoulet, M. Cahyna, P. Gribov, Y. Kavin, A. Naik, A. Sashala Campbell, D. J. Casper, T. Daly, E. Frerichs, H. Kischner, A. Laengner, R. Lisgo, S. Pitts, R. A. Saibene, G. Wingen, A. TI Progress on the application of ELM control schemes to ITER scenarios from the non-active phase to DT operation SO NUCLEAR FUSION LA English DT Article DE ELM (edge localized mode); ITER; ELM control; pellet pacing; RMP (resonant magnetic perturbation) ID PLASMA-FACING COMPONENTS; DIII-D TOKAMAK; PARTICLE LOSSES; ASDEX UPGRADE; H-MODE; I ELMS; ENERGY; DEVICES; DESIGN AB Progress in the definition of the requirements for edge localized mode (ELM) control and the application of ELM control methods both for high fusion performance DT operation and non-active low-current operation in ITER is described. Evaluation of the power fluxes for low plasma current H-modes in ITER shows that uncontrolled ELMs will not lead to damage to the tungsten (W) divertor target, unlike for high-current H-modes in which divertor damage by uncontrolled ELMs is expected. Despite the lack of divertor damage at lower currents, ELM control is found to be required in ITER under these conditions to prevent an excessive contamination of the plasma by W, which could eventually lead to an increased disruptivity. Modelling with the non-linear MHD code JOREK of the physics processes determining the flow of energy from the confined plasma onto the plasma-facing components during ELMs at the ITER scale shows that the relative contribution of conductive and convective losses is intrinsically linked to the magnitude of the ELM energy loss. Modelling of the triggering of ELMs by pellet injection for DIII-D and ITER has identified the minimum pellet size required to trigger ELMs and, from this, the required fuel throughput for the application of this technique to ITER is evaluated and shown to be compatible with the installed fuelling and tritium re-processing capabilities in ITER. The evaluation of the capabilities of the ELM control coil system in ITER for ELM suppression is carried out (in the vacuum approximation) and found to have a factor of similar to 2 margin in terms of coil current to achieve its design criterion, although such a margin could be substantially reduced when plasma shielding effects are taken into account. The consequences for the spatial distribution of the power fluxes at the divertor of ELM control by three-dimensional (3D) fields are evaluated and found to lead to substantial toroidal asymmetries in zones of the divertor target away from the separatrix. Therefore, specifications for the rotation of the 3D perturbation applied for ELM control in order to avoid excessive localized erosion of the ITER divertor target are derived. It is shown that a rotation frequency in excess of 1Hz for the whole toroidally asymmetric divertor power flux pattern is required (corresponding to n Hz frequency in the variation of currents in the coils, where n is the toroidal symmetry of the perturbation applied) in order to avoid unacceptable thermal cycling of the divertor target for the highest power fluxes and worst toroidal power flux asymmetries expected. The possible use of the in-vessel vertical stability coils for ELM control as a back-up to the main ELM control systems in ITER is described and the feasibility of its application to control ELMs in low plasma current H-modes, foreseen for initial ITER operation, is evaluated and found to be viable for plasma currents up to 5-10MA depending on modelling assumptions. C1 [Loarte, A.; Huijsmans, G.; Futatani, S.; Gribov, Y.; Naik, A. Sashala; Campbell, D. J.; Casper, T.; Daly, E.; Lisgo, S.; Pitts, R. A.] ITER Org, F-13115 St Paul Les Durance, France. [Baylor, L. R.; Wingen, A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Evans, T. E.] Gen Atom, San Diego, CA 92186 USA. [Orlov, D. M.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Schmitz, O.; Frerichs, H.; Kischner, A.; Laengner, R.] Assoc EURATOM FZJ, Forschungszentrum Julich, D-52428 Julich, Germany. [Becoulet, M.] CEA IRFM, F-13108 St Paul Les Durance, France. [Cahyna, P.] Acad Sci Czech Republic, Inst Plasma Phys, Assoc EURATOM IPP CR, Vvi, Prague 18200 8, Czech Republic. [Kavin, A.] Efremov Res Inst, St Petersburg 196641, Russia. [Saibene, G.] Fus Energy Joint Undertaking, Barcelona 08019, Spain. RP Loarte, A (reprint author), ITER Org, Route Vinon Verdon, F-13115 St Paul Les Durance, France. EM alberto.loarte@iter.org RI Cahyna, Pavel/G-9116-2014; Orlov, Dmitriy/D-2406-2016; OI Orlov, Dmitriy/0000-0002-2230-457X; Wingen, Andreas/0000-0001-8855-1349; Kirschner, Andreas/0000-0002-3213-3225; Futatani, Shimpei/0000-0001-5742-5454 NR 64 TC 77 Z9 77 U1 14 U2 64 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD MAR PY 2014 VL 54 IS 3 AR 033007 DI 10.1088/0029-5515/54/3/033007 PG 18 WC Physics, Fluids & Plasmas SC Physics GA AB8EL UT WOS:000332022800008 ER PT J AU Ma, JF Xu, XQ Dudson, BD AF Ma, J. F. Xu, X. Q. Dudson, B. D. TI Linear peeling-ballooning mode simulations in snowflake-like divertor configuration using BOUT plus plus code SO NUCLEAR FUSION LA English DT Article DE tokamaks; snowflake divertor; peeling-ballooning mode; plasma simulation ID EDGE PLASMA; PEDESTAL; CONFINEMENT; TOKAMAK; STABILITY AB We present linear characteristics of peeling-ballooning (P-B) modes in the pedestal region of DIII-D tokamak with snowflake (SF) plus divertor configuration using edge two-fluid code BOUT++. A set of reduced magnetohydrodynamics (MHD) equations is found to simulate the linear P-B mode in both snowflake plus and standard (STD) single-null divertor configurations. Further analysis shows that the implementation of snowflake geometry changes the local magnetic shear in the pedestal region, which leads to different linear behaviours of the P-B mode in STD and SF divertor configuration. Primary linear simulation results are the following. (1) The growth rate of the coupled P-B mode in SF-plus divertor geometry is larger than that in STD divertor geometry. (2) The global linear mode structures are more radially extended yet less poloidally extended in SF-plus divertor geometry, especially for moderate and high toroidal mode numbers. (3) The current-gradient drive (the kink term) dominates the P-B mode for low n, while the pressure gradient drive (ballooning) dominates for n > 25. In addition, constraints on poloidal field and central solenoid coils for snowflake geometry are briefly discussed based on conclusions in this paper. C1 [Ma, J. F.] Univ Texas Austin, Inst Fus Studies, Austin, TX 78712 USA. [Ma, J. F.; Xu, X. Q.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Dudson, B. D.] Univ York, York YO10 5DD, N Yorkshire, England. RP Ma, JF (reprint author), Univ Texas Austin, Inst Fus Studies, Austin, TX 78712 USA. OI Dudson, Benjamin/0000-0002-0094-4867 FU US DoE by LLNL [DE-AC52-07NA-27344]; IFS [DE-FG02-04ER-54742, LLNL-JRNL-645112] FX The authors wish to thank Drs D. Ryutov, F. Waelbroeck and M. Fenstermacher for useful discussions. The authors also wish to thank Drs M. Umansky and L. Lodestro for providing snowflake-like equilibria using CORSICA. This work was performed under the auspices of the US DoE by LLNL under Contract DE-AC52-07NA-27344 and by IFS under Contract DE-FG02-04ER-54742. LLNL-JRNL-645112. NR 29 TC 7 Z9 7 U1 2 U2 14 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD MAR PY 2014 VL 54 IS 3 AR 033011 DI 10.1088/0029-5515/54/3/033011 PG 9 WC Physics, Fluids & Plasmas SC Physics GA AB8EL UT WOS:000332022800012 ER PT J AU Mayoral, ML Bobkov, V Czarnecka, A Day, I Ekedahl, A Jacquet, P Goniche, M King, R Kirov, K Lerche, E Mailloux, J Van Eester, D Asunta, O Challis, C Ciric, D Coenen, JW Colas, L Giroud, C Graham, M Jenkins, I Joffrin, E Jones, T King, D Kiptily, V Klepper, CC Maggi, C Maggiora, R Marcotte, F Matthews, G Milanesio, D Monakhov, I Nightingale, M Neu, R Ongena, J Putterich, T Riccardo, V Rimini, F Strachan, J Surrey, E Thompson, V Van Rooij, G AF Mayoral, M. -L. Bobkov, V. Czarnecka, A. Day, I. Ekedahl, A. Jacquet, P. Goniche, M. King, R. Kirov, K. Lerche, E. Mailloux, J. Van Eester, D. Asunta, O. Challis, C. Ciric, D. Coenen, J. W. Colas, L. Giroud, C. Graham, M. Jenkins, I. Joffrin, E. Jones, T. King, D. Kiptily, V. Klepper, C. C. Maggi, C. Maggiora, R. Marcotte, F. Matthews, G. Milanesio, D. Monakhov, I. Nightingale, M. Neu, R. Ongena, J. Puetterich, T. Riccardo, V. Rimini, F. Strachan, J. Surrey, E. Thompson, V. Van Rooij, G. CA JET EFDA Contributors TI On the challenge of plasma heating with the JET metallic wall SO NUCLEAR FUSION LA English DT Article DE JET; ILW; plasma heating; NBI; ICRF; LHCD ID ITER-LIKE WALL; ICRF; EDGE; CONFINEMENT; PERFORMANCE; TRANSPORT; TUNGSTEN; PROJECT AB The major aspects linked to the use of the JET auxiliary heating systems: NBI, ICRF and LHCD, in the new JET ITER-like wall are presented. We show that although there were issues related to the operation of each system, efficient and safe plasma heating was obtained with room for higher power. For the NBI up to 25.7 MW was safely injected; issues that had to be tackled were mainly the beam shine-through and beam re-ionization before its entrance into the plasma. For the ICRF system, 5 MW were coupled in L-mode and 4 MW in H-mode; the main areas of concern were RF sheaths related heat loads and impurities production. For the LH, 2.5 MW were delivered without problems; arcing and generation of fast electron beams in front of the launcher that can lead to high heat loads were the keys issues. For each system, an overview will be given of: the main modifications implemented for safe use, their compatibility with the new metallic wall, the differences in behaviour compared with the previous carbon wall, with emphasis on heat loads and impurity content in the plasma. C1 JET EFDA, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England. [Mayoral, M. -L.; Day, I.; Jacquet, P.; King, R.; Kirov, K.; Mailloux, J.; Challis, C.; Ciric, D.; Giroud, C.; Graham, M.; Jenkins, I.; Jones, T.; King, D.; Kiptily, V.; Matthews, G.; Monakhov, I.; Nightingale, M.; Riccardo, V.; Rimini, F.; Surrey, E.; Thompson, V.] Euratom CCFE Fus Assoc, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England. [Mayoral, M. -L.; Neu, R.] EFDA Close Support Unit, D-85748 Garching, Germany. [Bobkov, V.; Maggi, C.; Neu, R.; Puetterich, T.] EURATOM Assoziat, Max Planck Inst Plasmaphys, D-85748 Garching, Germany. [Czarnecka, A.] Assoc Euratom IPPLM, PL-01497 Warsaw, Poland. [Goniche, M.; Colas, L.; Joffrin, E.] CEA, IRFM, F-13108 St Paul Les Durance, France. [Van Eester, D.] Assoc EURATOM Belgian State Lab Plasma Phys, Koninklijke Mil Sch, Ecole Royale Mil, B-1000 Brussels, Belgium. [Asunta, O.] Assoc EURATOM Tekes, VTT Tech Res Ctr Finland, FIN-02044 Espoo, Finland. [Coenen, J. W.] EURATOM, Forschungszentrum Julich, Inst Energy Res Plasma Phys, D-52425 Julich, Germany. [Klepper, C. C.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Marcotte, F.] Ecole Natl Ponts & Chaussees, F-77455 Marne La Vallee, France. [Milanesio, D.] Assoc EURATOM ENEA Fus, Politecn Torino, Turin, Italy. [Strachan, J.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Van Rooij, G.] FOM Inst DIFFER, NL-3430 BE Nieuwegein, Netherlands. RP Mayoral, ML (reprint author), Euratom CCFE Fus Assoc, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England. EM marie-line.mayoral@efda.org RI Putterich, Thomas/A-6962-2012; Coenen, Jan Willem/K-7802-2013; Neu, Rudolf /B-4438-2010 OI riccardo, valeria/0000-0003-2535-5257; Putterich, Thomas/0000-0002-8487-4973; Coenen, Jan Willem/0000-0002-8579-908X; Neu, Rudolf /0000-0002-6062-1955 FU European Communities FX This work, part-funded by the European Communities under the contract of Association between EURATOM/CCFE, was carried out within the framework of the European Fusion Development Agreement. For further information on the contents of this paper please contact publications-officer@jet.efda.org. The views and opinions expressed herein do not necessarily reflect those of the European Commission. This work was also part-funded by the RCUK Energy Programme under grant EP/I501045. To obtain further information on the data and models underlying this paper please contact PublicationsManager@ccfe.ac.uk. NR 53 TC 6 Z9 6 U1 1 U2 20 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD MAR PY 2014 VL 54 IS 3 AR 033002 DI 10.1088/0029-5515/54/3/033002 PG 14 WC Physics, Fluids & Plasmas SC Physics GA AB8EL UT WOS:000332022800003 ER PT J AU Raffray, AR Calcagno, B Chappuis, P Fu, Z Furmanek, A Chen, JM Kim, DH Khomiakov, S Labusov, A Martin, A Merola, M Mitteau, R Sadakov, S Ulrickson, M Zacchia, F AF Raffray, A. R. Calcagno, B. Chappuis, P. Fu, Zhang Furmanek, A. Chen Jiming Kim, D-H. Khomiakov, S. Labusov, A. Martin, A. Merola, M. Mitteau, R. Sadakov, S. Ulrickson, M. Zacchia, F. CA Blanket Integrated Prod Team TI The ITER blanket system design challenge SO NUCLEAR FUSION LA English DT Article DE blanket; first wall; ITER; plasma-facing components; electro-magnetic loads; nuclear shielding ID PLASMA-FACING COMPONENTS; RESEARCH-AND-DEVELOPMENT; THERMAL RESPONSE; 1ST WALL; TRANSIENTS; RACLETTE; MODEL AB This paper summarizes the latest progress in the ITER blanket system design as it proceeds through its final design phase with the Final Design Review planned for Spring 2013. The blanket design is constrained by demanding and sometime conflicting design and interface requirements from the plasma and systems such as the vacuum vessel, in-vessel coils and blanket manifolds. This represents a major design challenge, which is highlighted in this paper with examples of design solutions to accommodate some of the key interface and integration requirements. C1 [Raffray, A. R.; Calcagno, B.; Chappuis, P.; Fu, Zhang; Furmanek, A.; Martin, A.; Merola, M.; Mitteau, R.; Sadakov, S.] ITER Org, F-13115 St Paul Les Durance, France. [Chen Jiming] China ITER Domest Agcy, Southwestern Inst Phys, Chengdu 610225, Sichuan, Peoples R China. [Kim, D-H.] ITER Korea, Natl Fus Res Inst, Taejon 305806, South Korea. [Khomiakov, S.] NA Dollezhal Res & Dev Inst Power Engn NIKIET, Moscow 107140, Russia. [Labusov, A.] Efremov Inst, St Petersburg 196641, Russia. [Ulrickson, M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Zacchia, F.] Torres Diagonal Litoral B3, ITER Dept, Fus Energy, Barcelona 08019, Spain. RP Raffray, AR (reprint author), ITER Org, Route Vinon Verdon, F-13115 St Paul Les Durance, France. EM rene.raffray@iter.org NR 29 TC 21 Z9 21 U1 1 U2 12 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD MAR PY 2014 VL 54 IS 3 AR 033004 DI 10.1088/0029-5515/54/3/033004 PG 18 WC Physics, Fluids & Plasmas SC Physics GA AB8EL UT WOS:000332022800005 ER PT J AU Shiraki, D La Haye, RJ Logan, NC Strait, EJ Volpe, FA AF Shiraki, D. La Haye, R. J. Logan, N. C. Strait, E. J. Volpe, F. A. TI Error field detection in DIII-D by magnetic steering of locked modes SO NUCLEAR FUSION LA English DT Article DE tokamak; error field; locked mode ID D TOKAMAK; D PLASMAS; BETA; ITER AB Optimal correction coil currents for the n = 1 intrinsic error field of the DIII-D tokamak are inferred by applying a rotating external magnetic perturbation to steer the phase of a saturated locked mode with poloidal/toroidal mode number m/n = 2/1. The error field is detected non-disruptively in a single discharge, based on the toroidal torque balance of the resonant surface, which is assumed to be dominated by the balance of resonant electromagnetic torques. This is equivalent to the island being locked at all times to the resonant 2/1 component of the total of the applied and intrinsic error fields, such that the deviation of the locked mode phase from the applied field phase depends on the existing error field. The optimal set of correction coil currents is determined to be those currents which best cancels the torque from the error field, based on fitting of the torque balance model. The toroidal electromagnetic torques are calculated from experimental data using a simplified approach incorporating realistic DIII-D geometry, and including the effect of the plasma response on island torque balance based on the ideal plasma response to external fields. This method of error field detection is demonstrated in DIII-D discharges, and the results are compared with those based on the onset of low-density locked modes in ohmic plasmas. This magnetic steering technique presents an efficient approach to error field detection and is a promising method for ITER, particularly during initial operation when the lack of auxiliary heating systems makes established techniques based on rotation or plasma amplification unsuitable. C1 [Shiraki, D.; Volpe, F. A.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [La Haye, R. J.; Strait, E. J.] Gen Atom Co, San Diego, CA 92186 USA. [Logan, N. C.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Shiraki, D (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM shirakid@fusion.gat.com RI Volpe, Francesco/D-2994-2009 OI Volpe, Francesco/0000-0002-7193-7090 FU US Department of Energy [DE-SC0008520, DE-FC02-04ER54698, DE-AC02-09CH11466] FX The authors thank A.M. Garofalo and H. Reimerdes, who collected part of the data analysed in this manuscript. This work was supported in part by the US Department of Energy under DE-SC0008520, DE-FC02-04ER54698 and DE-AC02-09CH11466. NR 26 TC 12 Z9 12 U1 1 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD MAR PY 2014 VL 54 IS 3 AR 033006 DI 10.1088/0029-5515/54/3/033006 PG 9 WC Physics, Fluids & Plasmas SC Physics GA AB8EL UT WOS:000332022800007 ER PT J AU Pomerantz, AE Bake, KD Craddock, PR Kurzenhauser, KW Kodalen, BG Mitra-Kirtley, S Bolin, TB AF Pomerantz, Andrew E. Bake, Kyle D. Craddock, Paul R. Kurzenhauser, Kurt W. Kodalen, Brian G. Mitra-Kirtley, Sudipa Bolin, Trudy B. TI Sulfur speciation in kerogen and bitumen from gas and oil shales SO ORGANIC GEOCHEMISTRY LA English DT Article ID RAY-ABSORPTION-SPECTROSCOPY; NEAR-EDGE STRUCTURE; LASER MASS-SPECTROMETRY; X-RAY; PETROLEUM FORMATION; XANES SPECTROSCOPY; ORGANIC SULFUR; QUANTITATIVE-ANALYSIS; ASPHALTENES; FORMS AB The chemical and physical structure of immobile organic matter partially controls both the thermal evolution of organic rich shales and hydrocarbon production from these unconventional fossil fuel resources. This organic matter is typically classified into two fractions: kerogen, which is defined as insoluble in organic solvent and bitumen, which is defined as soluble. Kerogen and bitumen are complex materials that are not yet completely characterized and often considered to be compositionally similar except for molecular weight. Here we present a novel method for measuring sulfur speciation in kerogen and we report measured sulfur speciations of kerogen and bitumen from three shales. We observe a general trend of dissimilarity between kerogen and bitumen, with kerogen being dominated by non-polar sulfur forms (such as elemental, sulfide and thiophene) while bitumen is more abundant in polar sulfur forms (sulfoxide). We propose that this difference in sulfur speciation results from a mechanism involving oxidation of non-polar sulfur forms in kerogen during bitumen generation. Additionally, the measured chemical composition of bitumen suggests that it could act as a naturally occurring surfactant, impacting fluid flow and therefore the feasibility of economic hydrocarbon recovery from shales. (C) 2014 Elsevier Ltd. All rights reserved. C1 [Pomerantz, Andrew E.; Bake, Kyle D.; Craddock, Paul R.; Kurzenhauser, Kurt W.] Schlumberger Doll Res Ctr, Cambridge, MA USA. [Kodalen, Brian G.; Mitra-Kirtley, Sudipa] Rose Hulman Inst Technol, Terre Haute, IN 47803 USA. [Bolin, Trudy B.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Pomerantz, AE (reprint author), Schlumberger Doll Res Ctr, Cambridge, MA USA. EM apomerantz@slb.com OI Craddock, Paul/0000-0003-4702-0204 NR 53 TC 17 Z9 17 U1 7 U2 41 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0146-6380 J9 ORG GEOCHEM JI Org. Geochem. PD MAR PY 2014 VL 68 BP 5 EP 12 DI 10.1016/j.orggeochem.2013.12.011 PG 8 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AC3GI UT WOS:000332403900002 ER PT J AU Petrik, DL Karlen, SD Cass, CL Padmakshan, D Lu, FC Liu, S Le Bris, P Antelme, S Santoro, N Wilkerson, CG Sibout, R Lapierre, C Ralph, J Sedbrook, JC AF Petrik, Deborah L. Karlen, Steven D. Cass, Cynthia L. Padmakshan, Dharshana Lu, Fachuang Liu, Sarah Le Bris, Philippe Antelme, Sebastien Santoro, Nicholas Wilkerson, Curtis G. Sibout, Richard Lapierre, Catherine Ralph, John Sedbrook, John C. TI p-Coumaroyl-CoA:monolignol transferase (PMT) acts specifically in the lignin biosynthetic pathway in Brachypodium distachyon SO PLANT JOURNAL LA English DT Article DE NMR; Brachypodium distachyon; DFRC method; lignin; BAHD acyltransferase; thioacidolysis; biomass; lignin acylation; grass ID STATE 2D NMR; DFRC METHOD; STRUCTURAL-CHARACTERIZATION; MEDIATED TRANSFORMATION; BIOFUEL PRODUCTION; COUPLING REACTIONS; SINAPYL ACETATE; LIGNIFICATION; ACYLTRANSFERASE; EXPRESSION AB Grass lignins contain substantial amounts of p-coumarate (pCA) that acylate the side-chains of the phenylpropanoid polymer backbone. An acyltransferase, named p-coumaroyl-CoA:monolignol transferase (OsPMT), that could acylate monolignols with pCA in vitro was recently identified from rice. In planta, such monolignol-pCA conjugates become incorporated into lignin via oxidative radical coupling, thereby generating the observed pCA appendages; however p-coumarates also acylate arabinoxylans in grasses. To test the authenticity of PMT as a lignin biosynthetic pathway enzyme, we examined Brachypodium distachyon plants with altered BdPMT gene function. Using newly developed cell wall analytical methods, we determined that the transferase was involved specifically in monolignol acylation. A sodium azide-generated Bdpmt-1 missense mutant had no (<0.5%) residual pCA on lignin, and BdPMT RNAi plants had levels as low as 10% of wild-type, whereas the amounts of pCA acylating arabinosyl units on arabinoxylans in these PMT mutant plants remained unchanged. pCA acylation of lignin from BdPMT-overexpressing plants was found to be more than three-fold higher than that of wild-type, but again the level on arabinosyl units remained unchanged. Taken together, these data are consistent with a defined role for grass PMT genes in encoding BAHD (BEAT, AHCT, HCBT, and DAT) acyltransferases that specifically acylate monolignols with pCA and produce monolignol p-coumarate conjugates that are used for lignification in planta. C1 [Petrik, Deborah L.; Cass, Cynthia L.; Sedbrook, John C.] Illinois State Univ, Sch Biol Sci, Normal, IL 61790 USA. [Petrik, Deborah L.; Cass, Cynthia L.; Sedbrook, John C.] Great Lakes Bioenergy Res Ctr, Dept Energy, Madison, WI 53706 USA. [Karlen, Steven D.; Padmakshan, Dharshana; Lu, Fachuang; Liu, Sarah; Ralph, John] Univ Wisconsin, Wisconsin Energy Inst, Great Lakes Bioenergy Res Ctr, Dept Biochem,Dept Energy, Madison, WI 53726 USA. [Le Bris, Philippe; Antelme, Sebastien; Sibout, Richard; Lapierre, Catherine] INRA, IJPB, UMR1318, F-78000 Versailles, France. [Le Bris, Philippe; Antelme, Sebastien; Sibout, Richard; Lapierre, Catherine] AgroParisTech, IJPB, Saclay Plant Sci, UMR1318, F-78000 Versailles, France. [Santoro, Nicholas] Michigan State Univ, Great Lakes Bioenergy Res Ctr, Dept Energy, E Lansing, MI 48824 USA. [Wilkerson, Curtis G.] Michigan State Univ, Great Lakes Bioenergy Res Ctr, Dept Biochem & Mol Biol, Dept Plant Biol,Dept Energy, E Lansing, MI 48824 USA. RP Sedbrook, JC (reprint author), Illinois State Univ, Sch Biol Sci, Normal, IL 61790 USA. EM jcsedbr@ilstu.edu FU Department of Energy's Great Lakes Bioenergy Research Center (Department of Energy, Biological and Environmental Research, Office of Science) [DE-FC02-07ER64494] FX We thank Frederic Legee for performing the Klason lignin analyses, Cliff Foster for performing thioacidolysis analyses, Hoon Kim for his help with gel-NMR methods, Nick Thrower for help processing RNA-Seq datasets, and Stephen Lutgen, Heather Welch, and Michael Krzyskowski for prepping tissue samples. We thank Marek Mutwil and Staffan Persson for providing access to AraNet Brachypodium co-expression tools before their publication. This work was supported by the Department of Energy's Great Lakes Bioenergy Research Center (Department of Energy, Biological and Environmental Research, Office of Science grant no. DE-FC02-07ER64494). NR 59 TC 37 Z9 37 U1 11 U2 88 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0960-7412 EI 1365-313X J9 PLANT J JI Plant J. PD MAR PY 2014 VL 77 IS 5 BP 713 EP 726 DI 10.1111/tpj.12420 PG 14 WC Plant Sciences SC Plant Sciences GA AB5SJ UT WOS:000331848700005 PM 24372757 ER PT J AU Kharzeev, DE AF Kharzeev, Dmitri E. TI The Chiral Magnetic Effect and anomaly-induced transport SO PROGRESS IN PARTICLE AND NUCLEAR PHYSICS LA English DT Review DE Chiral anomaly; Chiral magnetic effect ID HEAVY-ION COLLISIONS; PARITY-VIOLATING CURRENTS; ROTATING BLACK-HOLES; QUARK-GLUON PLASMA; HIGH-DENSITY QCD; FIELD-THEORY; GAUGE-THEORIES; TRANSVERSE-MOMENTUM; NUCLEAR COLLISIONS; THERMAL-RADIATION AB The Chiral Magnetic Effect (CME) is the phenomenon of electric charge separation along the external magnetic field that is induced by the chirality imbalance. The CME is a macroscopic quantum effect - it is a manifestation of the chiral anomaly creating a collective motion in Dirac sea. Because the chirality imbalance is related to the global topology of gauge fields, the CME current is topologically protected and hence non-dissipative even in the presence of strong interactions. As a result, the CME and related quantum phenomena affect the hydrodynamical and transport behavior of systems possessing chiral fermions, from the quark-gluon plasma to chiral materials. The goal of the present review is to provide an elementary introduction into the main ideas underlying the physics of CME, a historical perspective, and a guide to the rapidly growing literature on this topic. (C) 2014 Elsevier B.V. All rights reserved. C1 [Kharzeev, Dmitri E.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Kharzeev, Dmitri E.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Kharzeev, DE (reprint author), SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. EM dmitri.kharzeev@stonybrook.edu FU U.S. Department of Energy [DE-FG-88ER40388, DE-AC02-98CH10886] FX I am grateful to my collaborators G. Basar, G. Dunne, A. Efremov, K. Fukushima, T. Kalaydzhyan, E. Levin, F. Loshaj, L. McLerran, R. Pisarski, M. Polikarpov, D. Son, M. Tytgat, R. Venugopalan, H. Warringa, H.-U. Yee, I. Zahed and A. Zhitnitsky for sharing their insights with me, and to A. Abanov, M. Chernodub, A. Gorsky, U. Gursoy, K. Jensen, T.D. Lee, L Levitov, R. Loganayagam, A. Mazeliauskas, V. Miransky, Y. Oz, K. Rajagopal, O. Ruchayskiy, J. Sandweiss, I. Shovkovy, E. Shuryak, M. Stephanov, O. Teryaev, M. Unsal, A. Vilenkin, S. Voloshin, F. Wilczek, Y. Yin, and V. Zakharov for stimulating discussions. This work was supported in part by the U.S. Department of Energy under Contracts DE-FG-88ER40388 and DE-AC02-98CH10886. NR 212 TC 98 Z9 98 U1 8 U2 27 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0146-6410 EI 1873-2224 J9 PROG PART NUCL PHYS JI Prog. Part. Nucl. Phys. PD MAR PY 2014 VL 75 BP 133 EP 151 DI 10.1016/j.ppnp.2014.01.002 PG 19 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA AC2RC UT WOS:000332350600004 ER PT J AU Bhatia, SR AF Bhatia, Surita R. TI A LIFE SCIENTIST'S GUIDE TO PHYSICAL CHEMISTRY SO QUARTERLY REVIEW OF BIOLOGY LA English DT Book Review C1 [Bhatia, Surita R.] SUNY Stony Brook, Stony Brook, NY 11794 USA. [Bhatia, Surita R.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Bhatia, SR (reprint author), SUNY Stony Brook, Stony Brook, NY 11794 USA. RI Bhatia, Surita/B-4536-2008 NR 1 TC 0 Z9 0 U1 0 U2 2 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0033-5770 EI 1539-7718 J9 Q REV BIOL JI Q. Rev. Biol. PD MAR 1 PY 2014 VL 89 IS 1 BP 50 EP 50 DI 10.1086/675002 PG 1 WC Biology SC Life Sciences & Biomedicine - Other Topics GA AA7SH UT WOS:000331296700014 ER PT J AU Krishna, KS Tarakeshwar, P Mujica, V Kumar, CSSR AF Krishna, Katla Sai Tarakeshwar, Pilarisetty Mujica, Vladimiro Kumar, Challa S. S. R. TI Chemically Induced Magnetism in Atomically Precise Gold Clusters SO SMALL LA English DT Article DE Atomically-precise gold clusters; magnetism; surface magnetism; SQUID; DFT calculations ID STABILIZED AU-38 CLUSTERS; PERMANENT MAGNETISM; SELECTIVE OXIDATION; CAPPED GOLD; NANOPARTICLES; NANOCLUSTERS; BEHAVIOR; AU C1 [Krishna, Katla Sai; Kumar, Challa S. S. R.] Louisiana State Univ, CAMD, Baton Rouge, LA 70806 USA. [Krishna, Katla Sai; Kumar, Challa S. S. R.] Louisiana State Univ, Ctr Atom Level Catalyst Design, Cain Dept Chem Engn, Baton Rouge, LA 70803 USA. [Tarakeshwar, Pilarisetty; Mujica, Vladimiro] Arizona State Univ, Dept Chem & Biochem, Tempe, AZ 85287 USA. [Mujica, Vladimiro] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Mujica, Vladimiro] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Kumar, CSSR (reprint author), Louisiana State Univ, CAMD, Baton Rouge, LA 70806 USA. EM ckumar1@lsu.edu RI Katla, Sai Krishna/F-8145-2010; Tarakeshwar, P./B-6609-2008 OI Tarakeshwar, P./0000-0002-0893-0670 FU Center for Atomic Level Catalyst Design (CALC-D), an Energy Frontier Research Center; U.S. Department of Energy, Office of Science [DE-SC0001058]; Louisiana Board of Regents [LEQSF (2008-10)-ENH-TR-07]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0001058] FX This research is supported as part of the Center for Atomic Level Catalyst Design (CALC-D), 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-SC0001058. We also thank the Louisiana Board of Regents for an equipment grant (LEQSF (2008-10)-ENH-TR-07) to purchase the SQUID magnetometer. NR 37 TC 13 Z9 13 U1 10 U2 62 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 1613-6810 EI 1613-6829 J9 SMALL JI Small PD MAR PY 2014 VL 10 IS 5 BP 907 EP 911 DI 10.1002/smll.201302393 PG 5 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA AC2PF UT WOS:000332343400011 PM 24150895 ER PT J AU Jarmer, GJS Flynn, EB Todd, MD AF Jarmer, Gregory J. S. Flynn, Eric B. Todd, Michael D. TI Multi-wave-mode, multi-frequency detectors for guided wave interrogation of plate structures SO STRUCTURAL HEALTH MONITORING-AN INTERNATIONAL JOURNAL LA English DT Article DE Guided ultrasonic waves; Lamb waves; generalized likelihood ratio test; detection theory; plate structures AB The detection and localization of damage using an array of closely spaced transducers is investigated theoretically and experimentally using single- and multiple-mode guided wave active sensing models. Detectors are derived using a generalized likelihood ratio approach assuming that amplitude, absolute phase, and source location of a scattered wave are unknown, while frequency, group velocity, and phase velocity are known. Theoretical detection performance for processing with each detector is derived and related to the energy-to-noise ratio of a scattered mode as a metric of determining when processing with multiple modes provides increased performance over processing with a single mode. Experimentally, detectors are implemented to detect scattering from a small mass glued to the surface of an aluminum plate with a 7 x 7 array of transducers. Relative detection and localization performance is compared through receiver operating characteristic curves and histograms of distance from true damage location for 1000 no-damage and damaged measurements. A single-mode, multi-frequency detector is shown to have the best detection and localization performance for the tested damage scenarios. C1 [Jarmer, Gregory J. S.; Todd, Michael D.] Univ Calif San Diego, Dept Struct Engn, La Jolla, CA 92093 USA. [Flynn, Eric B.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Todd, MD (reprint author), Univ Calif San Diego, Dept Struct Engn, 8500 Gilman Dr 0085, La Jolla, CA 92093 USA. EM mdtodd@ucsd.edu OI Flynn, Eric/0000-0003-0965-7052 FU Agency for Defense Development of the Korean Government [UD120027JD]; National Research Foundation (NRF) of Korea [2011-0030065]; Ministry of Education, Science and Technology FX This study was performed under a research grant (No. UD120027JD) supported by the Agency for Defense Development of the Korean Government, and this article was also supported by Leading Foreign Research Institute Recruitment Program (2011-0030065) of the National Research Foundation (NRF) of Korea funded by the Ministry of Education, Science and Technology. NR 22 TC 2 Z9 2 U1 0 U2 12 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1475-9217 EI 1741-3168 J9 STRUCT HEALTH MONIT JI Struct. Health Monit. PD MAR PY 2014 VL 13 IS 2 BP 120 EP 130 DI 10.1177/1475921713513972 PG 11 WC Engineering, Multidisciplinary; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA AB1JJ UT WOS:000331547100002 ER PT J AU Jeong, Y Johnson, K Fleming, P AF Jeong, Yunho Johnson, Kathryn Fleming, Paul TI Comparison and testing of power reserve control strategies for grid-connected wind turbines SO WIND ENERGY LA English DT Article DE wind turbine control; power reserve; wind turbine grid integration ID FREQUENCY REGULATION AB The stability of the electrical grid depends on enough generators being able to provide appropriate responses to sudden losses in generation capacity, increases in power demand or similar events. Within the United States, wind turbines largely do not provide such generation support, which has been acceptable because the penetration of wind energy into the grid has been relatively low. However, frequency support capabilities may need to be built into future generations of wind turbines to enable high penetration levels over approximately 20%. In this paper, we describe control strategies that can enable power reserve by leaving some wind energy uncaptured. Our focus is on the control strategies used by an operating turbine, where the turbine is asked to track a power reference signal supplied by the wind farm operator. We compare the strategies in terms of their control performance as well as their effects on the turbine itself, such as the possibility for increased loads on turbine components. It is assumed that the wind farm operator has access to the necessary grid information to generate the power reference provided to the turbine, and we do not simulate the electrical interaction between the turbine and the utility grid. Copyright (c) 2013 John Wiley & Sons, Ltd. C1 [Jeong, Yunho; Johnson, Kathryn] Colorado Sch Mines, Dept Engn, Golden, CO 80401 USA. [Fleming, Paul] Natl Renewable Energy Lab, Natl Wind Technol Ctr, Golden, CO USA. RP Jeong, Y (reprint author), Colorado Sch Mines, Div Engn, Golden, CO 80401 USA. EM yunho3600@gmail.com OI Fleming, Paul/0000-0001-8249-2544 FU NREL through the Alliance for Sustainable Energy [UGA-0-41025-04] FX The authors thank the NREL through the Alliance for Sustainable Energy (Authorization No. UGA-0-41025-04) for funding this research. NR 20 TC 8 Z9 9 U1 0 U2 12 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1095-4244 EI 1099-1824 J9 WIND ENERGY JI Wind Energy PD MAR PY 2014 VL 17 IS 3 BP 343 EP 358 DI 10.1002/we.1578 PG 16 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA AA7GK UT WOS:000331265400001 ER PT J AU Simley, E Pao, LY Frehlich, R Jonkman, B Kelley, N AF Simley, Eric Pao, Lucy Y. Frehlich, Rod Jonkman, Bonnie Kelley, Neil TI *Analysis of light detection and ranging wind speed measurements for wind turbine control SO WIND ENERGY LA English DT Article DE LIDAR; wind turbine control; feedforward control ID TURBULENCE AB Light detection and ranging (LIDAR) systems are able to measure the speed of incoming wind before it reaches a wind turbine rotor. These preview wind measurements can be used in feedforward control systems designed to reduce turbine structural loads. However, the degree to which such preview-based control techniques can reduce loads by reacting to turbulence depends on how accurately the incoming wind field can be measured. This study examines the accuracy of different measurement scenarios that rely on coherent continuous-wave or pulsed Doppler LIDAR systems, in terms of root-mean-square measurement error, to determine their applicability to feedforward control. In particular, the impacts of measurement range, angular offset of the LIDAR beam from the wind direction, and measurement noise are studied for various wind conditions. A realistic simulation case involving a scanning LIDAR unit mounted in the spinner of a MW-scale wind turbine is studied in depth, with emphasis on preview distances that provide minimum measurement error for a specific scan radius. Measurement error is analyzed for LIDAR-based estimates of point wind speeds at the rotor as well as spanwise averaged blade effective wind speeds. The impact of turbulence structures with high coherent turbulent kinetic energy on measurement error is discussed as well. Copyright (c) 2013 John Wiley & Sons, Ltd. C1 [Simley, Eric; Pao, Lucy Y.] Univ Colorado, Dept Elect Comp & Energy Engn, Boulder, CO 80309 USA. [Frehlich, Rod] Univ Colorado, CIRES, Boulder, CO 80309 USA. [Jonkman, Bonnie; Kelley, Neil] Natl Renewable Energy Lab, Golden, CO USA. RP Pao, LY (reprint author), Univ Colorado, Ctr Engn, 425 UCB, Boulder, CO 80309 USA. EM pao@colorado.edu FU US National Renewable Energy Laboratory; Richard & Joy Dorf Professorship FX This work was supported in part by the US National Renewable Energy Laboratory and a Richard & Joy Dorf Professorship. Additional industrial support is also greatly appreciated. The authors thank Alan Wright, Fiona Dunne, and Jason Laks for discussions on desired characteristics of wind speed measurement devices that can enable preview-based control methods for wind turbines. The ZephIR data was provided by Michael Harris of Natural Power Consultants as part of a study with Riso DTU (Technical University of Denmark) National Laboratory. Nikolas Angelou processed the ZephIR data to determine radial velocity. Riso DTU conducted the Tjaereborg spinner LIDAR experiment in 2009 with Torben Mikkelsen as principal investigator in collaboration with Natural Power (UK) as part of the Danish national infrastructure for wind energy research (www.windscanner.dk). NR 32 TC 15 Z9 15 U1 1 U2 21 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1095-4244 EI 1099-1824 J9 WIND ENERGY JI Wind Energy PD MAR PY 2014 VL 17 IS 3 BP 413 EP 433 DI 10.1002/we.1584 PG 21 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA AA7GK UT WOS:000331265400005 ER PT J AU Ito, J Herter, T Baidoo, EEK Lao, JM Vega-Saanchez, ME Smith-Moritz, AM Adams, PD Keasling, JD Usadel, B Petzold, CJ Heazlewood, JL AF Ito, Jun Herter, Thomas Baidoo, Edward E. K. Lao, Jeemeng Vega-Sanchez, Miguel E. Smith-Moritz, A. Michelle Adams, Paul D. Keasling, Jay D. Usadel, Bjoern Petzold, Christopher J. Heazlewood, Joshua L. TI Analysis of plant nucleotide sugars by hydrophilic interaction liquid chromatography and tandem mass spectrometry SO ANALYTICAL BIOCHEMISTRY LA English DT Article DE Nucleotide sugars; Plant cell walls; Hydrophilic interaction liquid chromatography; Arabidopsis; Rice; Selected reaction monitoring ID CELL-WALL BIOSYNTHESIS; RHAMNOGALACTURONAN-II; O-GLYCOSYLATION; L-ARABINOSE; ARABIDOPSIS; INTERCONVERSION; SEPARATION; CLONING; GROWTH; MUTANT AB Understanding the intricate metabolic processes involved in plant cell wall biosynthesis is limited by difficulties in performing sensitive quantification of many involved compounds. Hydrophilic interaction liquid chromatography is a useful technique for the analysis of hydrophilic metabolites from complex biological extracts and forms the basis of this method to quantify plant cell wall precursors. A zwitterionic silica-based stationary phase has been used to separate hydrophilic nucleotide sugars involved in cell wall biosynthesis from milligram amounts of leaf tissue. A tandem mass spectrometry operating in selected reaction monitoring mode was used to quantify nucleotide sugars. This method was highly repeatable and quantified 12 nucleotide sugars at low femtomole quantities, with linear responses up to four orders of magnitude to several 100 pmol. The method was also successfully applied to the analysis of purified leaf extracts from two model plant species with variations in their cell wall sugar compositions and indicated significant differences in the levels of 6 out of 12 nucleotide sugars. The plant nucleotide sugar extraction procedure was demonstrated to have good recovery rates with minimal matrix effects. The approach results in a significant improvement in sensitivity when applied to plant samples over currently employed techniques. (C) 2013 Elsevier Inc. All rights reserved. C1 [Ito, Jun; Herter, Thomas; Baidoo, Edward E. K.; Lao, Jeemeng; Vega-Sanchez, Miguel E.; Smith-Moritz, A. Michelle; Adams, Paul D.; Keasling, Jay D.; Petzold, Christopher J.; Heazlewood, Joshua L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94720 USA. [Ito, Jun; Herter, Thomas; Baidoo, Edward E. K.; Lao, Jeemeng; Vega-Sanchez, Miguel E.; Smith-Moritz, A. Michelle; Adams, Paul D.; Keasling, Jay D.; Petzold, Christopher J.; Heazlewood, Joshua L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Herter, Thomas; Usadel, Bjoern] Max Planck Inst Mol Plant Physiol, D-14476 Potsdam, Germany. [Adams, Paul D.; Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Usadel, Bjoern] Rhein Westfal TH Aachen, Inst Biol 1, D-52056 Aachen, Germany. [Usadel, Bjoern] Forschungszentrum Julich, IBG Plant Sci 2, D-52425 Julich, Germany. RP Heazlewood, JL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, One Cyclotron Rd MS978-4466, Berkeley, CA 94720 USA. EM jlheazlewood@lbl.gov RI Keasling, Jay/J-9162-2012; Usadel, Bjorn/E-1932-2011; Heazlewood, Joshua/A-2554-2008; Adams, Paul/A-1977-2013 OI Keasling, Jay/0000-0003-4170-6088; Heazlewood, Joshua/0000-0002-2080-3826; Adams, Paul/0000-0001-9333-8219 FU Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy [DE-AC02-05CH11231]; NSF-RCN [0090281] FX This work conducted by the Joint BioEnergy Institute was supported by the Office of Science, Office of Biological and Environmental Research, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The substrates UDP-xylose, UDP-arabinopyranose, and UDP-galacturonic acid were obtained from Carbosource Services (Athens, GA) which is supported in part by NSF-RCN Grant 0090281. NR 34 TC 12 Z9 12 U1 2 U2 26 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0003-2697 EI 1096-0309 J9 ANAL BIOCHEM JI Anal. Biochem. PD MAR 1 PY 2014 VL 448 BP 14 EP 22 DI 10.1016/j.ab.2013.11.026 PG 9 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA AB3GE UT WOS:000331678500003 PM 24299991 ER PT J AU Xu, T Li, YC Van Nostrand, JD He, ZL Zhou, JZ AF Xu, Tao Li, Yongchao Van Nostrand, Joy D. He, Zhili Zhou, Jizhong TI Cas9-Based Tools for Targeted Genome Editing and Transcriptional Control SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Review ID CRISPR-CAS SYSTEMS; SEQUENCE-SPECIFIC CONTROL; RNA-GUIDED ENDONUCLEASE; ONE-STEP GENERATION; STREPTOCOCCUS-THERMOPHILUS; HOMOLOGOUS RECOMBINATION; GENE-EXPRESSION; HUMAN-CELLS; CAENORHABDITIS-ELEGANS; ADAPTIVE IMMUNITY AB Development of tools for targeted genome editing and regulation of gene expression has significantly expanded our ability to elucidate the mechanisms of interesting biological phenomena and to engineer desirable biological systems. Recent rapid progress in the study of a clustered, regularly interspaced short palindromic repeat (CRISPR)/CRISPR-associated (Cas) protein system in bacteria has facilitated the development of newly facile and programmable platforms for genome editing and transcriptional control in a sequence-specific manner. The core RNA-guided Cas9 endonuclease in the type II CRISPR system has been harnessed to realize gene mutation and DNA deletion and insertion, as well as transcriptional activation and repression, with multiplex targeting ability, just by customizing 20-nucleotide RNA components. Here we describe the molecular basis of the type II CRISPR/Cas system and summarize applications and factors affecting its utilization in model organisms. We also discuss the advantages and disadvantages of Cas9-based tools in comparison with widely used customizable tools, such as Zinc finger nucleases and transcription activator-like effector nucleases. C1 [Xu, Tao; Li, Yongchao; Van Nostrand, Joy D.; He, Zhili; Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. [Xu, Tao; Li, Yongchao; Van Nostrand, Joy D.; He, Zhili; Zhou, Jizhong] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. [Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Zhou, Jizhong] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. RP Zhou, JZ (reprint author), Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. EM jzhou@ou.edu RI Van Nostrand, Joy/F-1740-2016 OI Van Nostrand, Joy/0000-0001-9548-6450 FU NSF EPSCoR [EPS 0814361] FX This work was supported by the NSF EPSCoR award EPS 0814361. NR 71 TC 12 Z9 14 U1 8 U2 73 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD MAR PY 2014 VL 80 IS 5 BP 1544 EP 1552 DI 10.1128/AEM.03786-13 PG 9 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA AB2MH UT WOS:000331626300001 PM 24389925 ER PT J AU Xing, Y Li, A Felker, DL Burggraf, LW AF Xing, Yun Li, Alex Felker, Daniel L. Burggraf, Larry W. TI Nanoscale Structural and Mechanical Analysis of Bacillus anthracis Spores Inactivated with Rapid Dry Heating SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID ATOMIC-FORCE MICROSCOPY; SUBTILIS VAR NIGER; THERMAL INACTIVATION; BACTERIAL-SPORES; RAMAN-SPECTROSCOPY; HIGH-PRESSURE; WET HEAT; AIR-FLOW; GERMINATION; RESISTANCE AB Effective killing of Bacillus anthracis spores is of paramount importance to antibioterrorism, food safety, environmental protection, and the medical device industry. Thus, a deeper understanding of the mechanisms of spore resistance and inactivation is highly desired for developing new strategies or improving the known methods for spore destruction. Previous studies have shown that spore inactivation mechanisms differ considerably depending upon the killing agents, such as heat (wet heat, dry heat), UV, ionizing radiation, and chemicals. It is believed that wet heat kills spores by inactivating critical enzymes, while dry heat kills spores by damaging their DNA. Many studies have focused on the biochemical aspects of spore inactivation by dry heat; few have investigated structural damages and changes in spore mechanical properties. In this study, we have inactivated Bacillus anthracis spores with rapid dry heating and performed nanoscale topographical and mechanical analysis of inactivated spores using atomic force microscopy (AFM). Our results revealed significant changes in spore morphology and nanomechanical properties after heat inactivation. In addition, we also found that these changes were different under different heating conditions that produced similar inactivation probabilities (high temperature for short exposure time versus low temperature for long exposure time). We attributed the differences to the differential thermal and mechanical stresses in the spore. The buildup of internal thermal and mechanical stresses may become prominent only in ultrafast, high-temperature heat inactivation when the experimental timescale is too short for heat-generated vapor to efficiently escape from the spore. Our results thus provide direct, visual evidences of the importance of thermal stresses and heat and mass transfer to spore inactivation by very rapid dry heating. C1 [Xing, Yun; Li, Alex; Burggraf, Larry W.] Air Force Inst Technol, Dept Engn Phys, Dayton, OH 45433 USA. [Xing, Yun] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Felker, Daniel L.] Air Force Inst Technol, Dept Syst Engn & Management, Dayton, OH USA. RP Xing, Y (reprint author), Air Force Inst Technol, Dept Engn Phys, Dayton, OH 45433 USA. EM yun.xing@afit.edu; alex.li@afit.edu FU Defense Threat Reduction Agency FX This work was supported in part by the Defense Threat Reduction Agency through a program managed by Suhithi Peiris. NR 57 TC 6 Z9 6 U1 1 U2 19 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD MAR PY 2014 VL 80 IS 5 BP 1739 EP 1749 DI 10.1128/AEM.03483-13 PG 11 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA AB2MH UT WOS:000331626300025 PM 24375142 ER PT J AU Luo, CW Rodriguez-R, LM Johnston, ER Wu, LY Cheng, L Xue, K Tu, QC Deng, Y He, ZL Shi, JZ Yuan, MM Sherry, RA Li, DJ Luo, YQ Schuur, EAG Chain, P Tiedje, JM Zhou, JZ Konstantinidis, KT AF Luo, Chengwei Rodriguez-R, Luis M. Johnston, Eric R. Wu, Liyou Cheng, Lei Xue, Kai Tu, Qichao Deng, Ye He, Zhili Shi, Jason Zhou Yuan, Mengting Maggie Sherry, Rebecca A. Li, Dejun Luo, Yiqi Schuur, Edward A. G. Chain, Patrick Tiedje, James M. Zhou, Jizhong Konstantinidis, Konstantinos T. TI Soil Microbial Community Responses to a Decade of Warming as Revealed by Comparative Metagenomics SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID RNA GENE DATABASE; DIVERGENCE; CARBON; ECOSYSTEM; PROJECT; DNA; RESPIRATION; PROKARYOTES; ADAPTATION; DIVERSITY AB Soil microbial communities are extremely complex, being composed of thousands of low-abundance species (<0.1% of total). How such complex communities respond to natural or human-induced fluctuations, including major perturbations such as global climate change, remains poorly understood, severely limiting our predictive ability for soil ecosystem functioning and resilience. In this study, we compared 12 whole-community shotgun metagenomic data sets from a grassland soil in the Midwestern United States, half representing soil that had undergone infrared warming by 2 degrees C for 10 years, which simulated the effects of climate change, and the other half representing the adjacent soil that received no warming and thus, served as controls. Our analyses revealed that the heated communities showed significant shifts in composition and predicted metabolism, and these shifts were community wide as opposed to being attributable to a few taxa. Key metabolic pathways related to carbon turnover, such as cellulose degradation (similar to 13%) and CO2 production (similar to 10%), and to nitrogen cycling, including denitrification (similar to 12%), were enriched under warming, which was consistent with independent physicochemical measurements. These community shifts were interlinked, in part, with higher primary productivity of the aboveground plant communities stimulated by warming, revealing that most of the additional, plant-derived soil carbon was likely respired by microbial activity. Warming also enriched for a higher abundance of sporulation genes and genomes with higher G+C content. Collectively, our results indicate that microbial communities of temperate grassland soils play important roles in mediating feedback responses to climate change and advance the understanding of the molecular mechanisms of community adaptation to environmental perturbations. C1 [Luo, Chengwei; Rodriguez-R, Luis M.; Konstantinidis, Konstantinos T.] Georgia Inst Technol, Ctr Bioinformat & Computat Genom, Atlanta, GA 30332 USA. [Luo, Chengwei; Rodriguez-R, Luis M.; Konstantinidis, Konstantinos T.] Georgia Inst Technol, Sch Biol, Atlanta, GA 30332 USA. [Wu, Liyou; Cheng, Lei; Xue, Kai; Tu, Qichao; Deng, Ye; He, Zhili; Shi, Jason Zhou; Yuan, Mengting Maggie; Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. [Wu, Liyou; Cheng, Lei; Xue, Kai; Tu, Qichao; Deng, Ye; He, Zhili; Shi, Jason Zhou; Yuan, Mengting Maggie; Sherry, Rebecca A.; Li, Dejun; Luo, Yiqi; Zhou, Jizhong] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. [Schuur, Edward A. G.] Univ Florida, Dept Biol, Gainesville, FL USA. [Chain, Patrick] Los Alamos Natl Lab, Los Alamos, NM USA. [Tiedje, James M.] Michigan State Univ, Ctr Microbial Ecol, E Lansing, MI 48824 USA. [Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Zhou, Jizhong] Tsinghua Univ, State Key Joint Lab Environm Simulat & Pollut Con, Sch Environm, Beijing 100084, Peoples R China. [Johnston, Eric R.; Konstantinidis, Konstantinos T.] Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA. RP Konstantinidis, KT (reprint author), Georgia Inst Technol, Ctr Bioinformat & Computat Genom, Atlanta, GA 30332 USA. EM jzhou@rccc.ou.edu; kostas@ce.gatech.edu OI Rodriguez-R, Luis M/0000-0001-7603-3093; ?, ?/0000-0002-7584-0632; Chain, Patrick/0000-0003-3949-3634 FU U.S. Department of Energy [DE-SC0004601] FX This research was supported by the U.S. Department of Energy (award DE-SC0004601). NR 55 TC 30 Z9 30 U1 13 U2 160 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD MAR PY 2014 VL 80 IS 5 BP 1777 EP 1786 DI 10.1128/AEM.03712-13 PG 10 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA AB2MH UT WOS:000331626300029 PM 24375144 ER PT J AU Saxena, S Vuilleumier, D Kozarac, D Krieck, M Dibble, R Aceves, S AF Saxena, Samveg Vuilleumier, David Kozarac, Darko Krieck, Martin Dibble, Robert Aceves, Salvador TI Optimal operating conditions for wet ethanol in a HCCI engine using exhaust gas heat recovery SO APPLIED ENERGY LA English DT Article DE Ethanol; Wet ethanol; HCCI; Power generation; Biofuel; Engines ID STRATEGIES; BENEFITS; COSTS; CYCLE AB This study explores optimal operating conditions for power generation from wet ethanol in a HCCI engine using exhaust gas heat recovery. Wet ethanol is a difficult fuel to ignite as it requires high compressed gas temperatures to achieve ignition causing the requirement for substantial intake charge heating. A heat exchanger is retrofitted to a HCCI engine in this study to recover excess heat from the exhaust gases to provide the energy input for intake charge heating. This study builds on prior experimental research by focusing on optimal operating conditions for wet ethanol in HCCI with exhaust gas heat recovery. Operating points include intake pressures of 1.8 and 2.0 bar absolute, equivalence ratios of 0.50 and 0.55, combustion timings from just before TDC to misfire, and fuel mixtures from 70% to 100% ethanol (with water being the balance). The results suggest that the best operating conditions for the HCCI engine and heat exchanger system in terms of high power output, low ringing, and low nitrogen oxide emissions occur with high intake pressures, high equivalence ratios and highly delayed combustion timing. With a 2 bar absolute intake pressure, an equivalence ratio of 0.55, and a combustion timing near 8 CAD ATDC, 70% ethanol produced a power output of nearly 7.25 bar gross IMEP with low ringing and low nitrogen oxide emissions. This operating point was sustained by using heat transfer from hot exhaust gases into the intake charge, and thus no external heat addition was required - a substantial improvement over prior studies. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Saxena, Samveg] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Vuilleumier, David; Krieck, Martin; Dibble, Robert] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Kozarac, Darko] Univ Zagreb, Zagreb 41000, Croatia. [Aceves, Salvador] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Saxena, S (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM samveg@berkeley.edu OI Krieck, Martin/0000-0002-8081-3866 FU Lawrence Livermore National Laboratory through the project "Low temperature combustion chemistry at boost pressures for surrogate fuels and ethanol use in HCCI engine experiments"; Natural Sciences and Engineering Research Council of Canada FX Funding for this study was provided by Lawrence Livermore National Laboratory through the project "Low temperature combustion chemistry at boost pressures for surrogate fuels and ethanol use in HCCI engine experiments", directed by Dr. S. Aceves. Additional support was also provided by the Natural Sciences and Engineering Research Council of Canada through the Canada Graduate Scholarship and Postgraduate scholarship programs. NR 27 TC 10 Z9 10 U1 2 U2 15 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0306-2619 EI 1872-9118 J9 APPL ENERG JI Appl. Energy PD MAR 1 PY 2014 VL 116 BP 269 EP 277 DI 10.1016/j.apenergy.2013.11.033 PG 9 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA AB0VR UT WOS:000331510700029 ER PT J AU Fang, M Albrecht, BA Ghate, VP Kollias, P AF Fang, Ming Albrecht, Bruce A. Ghate, Virendra P. Kollias, Pavlos TI Turbulence in Continental Stratocumulus, Part I: External Forcings and Turbulence Structures SO BOUNDARY-LAYER METEOROLOGY LA English DT Article DE Continental stratocumulus; External forcings; Turbulence ID TOPPED BOUNDARY-LAYER; RADAR OBSERVATIONS; MIXED LAYERS; CLOUD; ENTRAINMENT; PARAMETRIZATION; SKEWNESS; MODEL AB Comprehensive, ground-based observations from the US Department of Energy Atmospheric Radiation Measurements program Southern Great Plains site are used to study the variability of turbulence forcings and cloud-scale turbulence structures in a continental stratocumulus cloud. The turbulence observations are made from an upward facing cloud (35 GHz) Doppler radar. Cloud base and liquid water path are characterized using a lidar at the surface and a microwave radiometer. The turbulence characterizations are compared and contrasted with those observed in marine stratocumulus clouds. During the 16-h observation period used in this study the cloud-base and cloud-top heights evolve with time and changes in liquid water path observed by the radiometer are consistent with variations in cloud depth. Unlike marine stratocumulus clouds, a diurnal cycle of cloud thickness and liquid water path is not observed. The observed surface latent, sensible, and virtual sensible heat fluxes and the radiative fluxes exhibit a diurnal cycle with values increasing from sunrise to afternoon and decreasing afterwards. During the night, the sensible heat, virtual sensible heat and the net radiative fluxes at the surface are slightly negative. Solar radiative heating prevails in the cloud layer during the day and strong radiative cooling exists at cloud top even during the day. Unlike marine stratocumulus, surface heating described by the convective velocity scale and cloud-top cooling described by are both important in driving the in-cloud turbulence during the day, whereas cloud-top cooling is the exclusive contributor during the night. The combined and (the total velocity scale provides a useful way to track the evolution of the turbulence structure in the cloud. The variance of the radar-measured radial velocity, which is related to resolved turbulence, follows the diurnal cycle and is consistent with the total velocity scale variations. It is higher during the day and lower during the night, which is contrary to that in marine stratocumulus. The values are lowest around sunset when the radiative cooling is also small due to upper-level clouds observed above the low-level stratus. The vertical distribution of the variance results from the surface heating during the day and cloud-top cooling during the night. The squared spectrum width, which is related to turbulence structures within the radar sampling volume (unresolved turbulence) also follows the diurnal cycle. Its vertical distribution indicates that the unresolved turbulence more closely relates to the processes near cloud top. Turbulence in the cloud requires about an hour to respond to the external forcings of surface heating and cloud-top radiative cooling. Positive skewness prevails during the day and negative skewness prevails at night with a sharp transition around sunset. Resolved turbulence dominates near cloud base whereas unresolved turbulence dominates near cloud top. The turbulence characteristics and variability defined in this study can be used to evaluate the time evolution of turbulence structures in large eddy simulation forced by surface and cloud-top radiative forcings. C1 [Fang, Ming; Albrecht, Bruce A.] Univ Miami, Rosenstiel Sch Marine & Atmospher Sci, Miami, FL 33149 USA. [Ghate, Virendra P.] Argonne Natl Lab, Div Environm Sci, Argonne, IL 60439 USA. [Kollias, Pavlos] McGill Univ, Dept Atmospher & Ocean Sci, Montreal, PQ, Canada. RP Fang, M (reprint author), Univ Miami, Rosenstiel Sch Marine & Atmospher Sci, 4600 Rickenbacker Causeway, Miami, FL 33149 USA. EM mfang3219@hotmail.com FU Office of Biological and Environmental Research of the U.S. Department of Energy under Atmospheric Radiation Measurement program Climate Research Facility [DE SC0000777] FX This research was supported by the Office of Biological and Environmental Research of the U.S. Department of Energy under grant DE SC0000777 as part of the Atmospheric Radiation Measurement program Climate Research Facility. NR 36 TC 4 Z9 4 U1 2 U2 15 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0006-8314 EI 1573-1472 J9 BOUND-LAY METEOROL JI Bound.-Layer Meteor. PD MAR PY 2014 VL 150 IS 3 BP 341 EP 360 DI 10.1007/s10546-013-9873-3 PG 20 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AB4FB UT WOS:000331743800001 ER PT J AU Fang, M Albrecht, BA Ghate, VP Kollias, P AF Fang, Ming Albrecht, Bruce A. Ghate, Virendra P. Kollias, Pavlos TI Turbulence in Continental Stratocumulus, Part II: Eddy Dissipation Rates and Large-Eddy Coherent Structures SO BOUNDARY-LAYER METEOROLOGY LA English DT Article DE Coherent structures; Continental stratocumulus; Energy dissipation rate; Radar observed spectrum width ID DOPPLER RADAR; BOUNDARY-LAYER; MARINE STRATOCUMULUS; SPECTRAL WIDTH; CLOUD; MODEL; PARAMETERIZATION; SHEAR AB This study first illustrates the utility of using the Doppler spectrum width from millimetre wavelength radar to calculate the energy dissipation rate and then to use the energy dissipation rate to study turbulence structure in a continental stratocumulus cloud. It is shown that the turbulence kinetic energy dissipation rate calculated from the radar-measured Doppler spectrum width agrees well with that calculated from the Doppler velocity power spectrum. During the 16-h stratocumulus cloud event, the small-scale turbulence contributes 40 % of the total velocity variance at cloud base, 50 % at normalized cloud depth = 0.8 and 70 % at cloud top, which suggests that small-scale turbulence plays a critical role near the cloud top where the entrainment and cloud-top radiative cooling act. The 16-h mean vertical integral length scale decreases from about 160 m at cloud base to 60 m at cloud top, and this signifies that the larger scale turbulence dominates around cloud base whereas the small-scale turbulence dominates around cloud top. The energy dissipation rate, total variance and squared spectrum width exhibit diurnal variations, but unlike marine stratocumulus they are high during the day and lowest around sunset at all levels; energy dissipation rates increase at night with the intensification of the cloud-top cooling. In the normalized coordinate system, the averaged coherent structure of updrafts is characterized by low energy dissipation rates in the updraft core and higher energy dissipation rates surround the updraft core at the top and along the edges. In contrast, the energy dissipation rate is higher inside the downdraft core indicating that the downdraft core is more turbulent. The turbulence around the updraft is weaker at night and stronger during the day; the opposite is true around the downdraft. This behaviour indicates that the turbulence in the downdraft has a diurnal cycle similar to that observed in marine stratocumulus whereas the turbulence diurnal cycle in the updraft is reversed. For both updraft and downdraft, the maximum energy dissipation rate occurs at a cloud depth = 0.8 where the maximum reflectivity and air acceleration or deceleration are observed. Resolved turbulence dominates near cloud base whereas unresolved turbulence dominates near cloud top. Similar to the unresolved turbulence, the resolved turbulence described by the radial velocity variance is higher in the downdraft than in the updraft. The impact of the surface heating on the resolved turbulence in the updraft decreases with height and diminishes around the cloud top. In both updrafts and downdrafts, the resolved turbulence increases with height and reaches a maximum at cloud depth = 0.4 and then decreases to the cloud top; the resolved turbulence near cloud top, just as the unresolved turbulence, is mostly due to the cloud-top radiative cooling. C1 [Fang, Ming; Albrecht, Bruce A.] Univ Miami, Rosenstiel Sch Marine & Atmospher Sci, Miami, FL 33149 USA. [Ghate, Virendra P.] Argonne Natl Lab, Div Environm Sci, Argonne, IL 60439 USA. [Kollias, Pavlos] McGill Univ, Dept Atmospher & Ocean Sci, Montreal, PQ, Canada. RP Fang, M (reprint author), Univ Miami, Rosenstiel Sch Marine & Atmospher Sci, 4600 Rickenbacker Causeway, Miami, FL 33149 USA. EM mfang3219@hotmail.com FU Office of Biological and Environmental Research (BER) of the U.S. Department of Energy [DE SC 0000777, 0008599] FX This research was supported by the Office of Biological and Environmental Research (BER) of the U.S. Department of Energy under Grant DE SC 0000777 and 0008599 and was made possible by the measurement from the Atmospheric Radiation Measurement Climate Research Facility at the Southern Great Plaines. We benefited from useful discussions with Dr. Christoper Fairall. NR 37 TC 3 Z9 3 U1 0 U2 13 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0006-8314 EI 1573-1472 J9 BOUND-LAY METEOROL JI Bound.-Layer Meteor. PD MAR PY 2014 VL 150 IS 3 BP 361 EP 380 DI 10.1007/s10546-013-9872-4 PG 20 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA AB4FB UT WOS:000331743800002 ER PT J AU Moeller, SJ Honorio, J Tomasi, D Parvaz, MA Woicik, PA Volkow, ND Goldstein, RZ AF Moeller, Scott J. Honorio, Jean Tomasi, Dardo Parvaz, Muhammad A. Woicik, Patricia A. Volkow, Nora D. Goldstein, Rita Z. TI Methylphenidate Enhances Executive Function and Optimizes Prefrontal Function in Both Health and Cocaine Addiction SO CEREBRAL CORTEX LA English DT Article DE anterior cingulate cortex; cerebellum; cocaine addiction; dopamine; dorsolateral prefrontal cortex; executive function; fMRI; methylphenidate; norepinephrine; Stroop ID DEFICIT HYPERACTIVITY DISORDER; ATTENTION-DEFICIT/HYPERACTIVITY DISORDER; ANTERIOR CINGULATE CORTEX; ERROR-RELATED NEGATIVITY; WORKING-MEMORY TASK; ORAL METHYLPHENIDATE; BRAIN ACTIVATION; STROOP TASK; DEPENDENT PATIENTS; NEURAL SYSTEMS AB Previous studies have suggested dopamine to be involved in error monitoring/processing, possibly through impact on reinforcement learning. The current study tested whether methylphenidate (MPH), an indirect dopamine agonist, modulates brain and behavioral responses to error, and whether such modulation is more pronounced in cocaine-addicted individuals, in whom dopamine neurotransmission is disrupted. After receiving oral MPH (20 mg) or placebo (counterbalanced), 15 healthy human volunteers and 16 cocaine-addicted individuals completed a task of executive function (the Stroop color word) during functional magnetic resonance imaging (fMRI). During MPH, despite not showing differences on percent accuracy and reaction time, all subjects committed fewer total errors and slowed down more after committing errors, suggestive of more careful responding. In parallel, during MPH all subjects showed reduced dorsal anterior cingulate cortex response to the fMRI contrast errorcorrect. In the cocaine subjects only, MPH also reduced errorcorrect activity in the dorsolateral prefrontal cortex (controls instead showed lower errorcorrect response in this region during placebo). Taken together, MPH modulated dopaminergically innervated prefrontal cortical areas involved in error-related processing, and such modulation was accentuated in the cocaine subjects. These results are consistent with a dopaminergic contribution to error-related processing during a cognitive control task. C1 [Moeller, Scott J.; Parvaz, Muhammad A.; Woicik, Patricia A.; Goldstein, Rita Z.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Honorio, Jean] SUNY Stony Brook, Stony Brook, NY 11794 USA. [Tomasi, Dardo; Volkow, Nora D.] NIAAA, Bethesda, MD 20892 USA. [Volkow, Nora D.] Natl Inst Drug Abuse, Bethesda, MD 20892 USA. RP Goldstein, RZ (reprint author), Brookhaven Natl Lab, 30 Bell Ave,Bldg 490, Upton, NY 11973 USA. EM rgoldstein@bnl.gov RI Tomasi, Dardo/J-2127-2015; Moeller, Scott/L-5549-2016; OI Moeller, Scott/0000-0002-4449-0844; Parvaz, Muhammad/0000-0002-2671-2327 FU National Institute on Drug Abuse [1R01DA023579, 1F32DA030017-01]; US Department of Energy [DE-AC02-98CHI-886] FX This study was supported by grants from the National Institute on Drug Abuse (to R.Z.G.: 1R01DA023579; to S.J.M.: 1F32DA030017-01). This manuscript has been authored by Brookhaven Science Associates, LLC under Contract No. DE-AC02-98CHI-886 with the US Department of Energy. The United States Government retains, and the publisher, by accepting the article for publication, acknowledges, a worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for the US Government purposes. NR 84 TC 18 Z9 18 U1 2 U2 17 PU OXFORD UNIV PRESS INC PI CARY PA JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA SN 1047-3211 EI 1460-2199 J9 CEREB CORTEX JI Cereb. Cortex PD MAR PY 2014 VL 24 IS 3 BP 643 EP 653 DI 10.1093/cercor/bhs345 PG 11 WC Neurosciences SC Neurosciences & Neurology GA AB5RI UT WOS:000331845700008 PM 23162047 ER PT J AU Arya, V Yang, X Balimane, P Chinn, L Hinderling, P Vaidyanathan, J Zur, AA Wittwer, MB Zhang, L AF Arya, V. Yang, X. Balimane, P. Chinn, L. Hinderling, P. Vaidyanathan, J. Zur, A. A. Wittwer, M. B. Zhang, L. TI CREATININE AS AN ENDOGENOUS MARKER FOR RENAL FUNCTION-EMERGING ROLE OF TRANSPORTERS IN THE OVERALL ASSESSMENT OF RENAL TOXICITY. SO CLINICAL PHARMACOLOGY & THERAPEUTICS LA English DT Meeting Abstract CT Annual Meeting of the American-Society-for-Clinical-Pharmacology-and-Therapeutics (ASCPT) CY MAR 18-22, 2014 CL Atlanta, GA SP Amer Soc Clin Pharmacol & Therapeut C1 [Arya, V.; Yang, X.; Balimane, P.; Chinn, L.; Hinderling, P.; Vaidyanathan, J.; Zhang, L.] US FDA, CDER, Off Translat Sci, Off Clin Pharmacol, Silver Spring, MD USA. [Zur, A. A.; Wittwer, M. B.] Univ Calif San Francisco, Dept Bioengn & Therapeut Sci, ORISE, San Francisco, CA 94143 USA. NR 0 TC 1 Z9 1 U1 0 U2 1 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0009-9236 EI 1532-6535 J9 CLIN PHARMACOL THER JI Clin. Pharmacol. Ther. PD MAR PY 2014 VL 95 SU 1 BP S65 EP S65 PG 1 WC Pharmacology & Pharmacy SC Pharmacology & Pharmacy GA AB7ZL UT WOS:000332009800190 ER PT J AU Zhang, L Wu, F Lee, S Zhao, H Zhang, L AF Zhang, L. Wu, F. Lee, S. Zhao, H. Zhang, L. TI PH-DEPENDENT DRUG-DRUG INTERACTIONS: POTENTIAL IMPLICATIONS FOR NEW DRUG DEVELOPMENT. SO CLINICAL PHARMACOLOGY & THERAPEUTICS LA English DT Meeting Abstract CT Annual Meeting of the American-Society-for-Clinical-Pharmacology-and-Therapeutics (ASCPT) CY MAR 18-22, 2014 CL Atlanta, GA SP Amer Soc Clin Pharmacol & Therapeut C1 [Zhang, L.; Wu, F.; Lee, S.; Zhao, H.; Zhang, L.] US FDA, CDER, Off Translat Sci, Off Clin Pharmacol, Silver Spring, MD USA. [Wu, F.] US FDA, CDER, Off Translat Sci, ORISE, Silver Spring, MD USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0009-9236 EI 1532-6535 J9 CLIN PHARMACOL THER JI Clin. Pharmacol. Ther. PD MAR PY 2014 VL 95 SU 1 BP S65 EP S65 PG 1 WC Pharmacology & Pharmacy SC Pharmacology & Pharmacy GA AB7ZL UT WOS:000332009800191 ER PT J AU Prague, M Commenges, D Guedj, J Drylewicz, J Thiebaut, R AF Prague, Melanie Commenges, Daniel Guedj, Jeremie Drylewicz, Julia Thiebaut, Rodolphe TI NIMROD: A program for inference via normal approximation of the posterior in models with random effects based on ordinary differential equations (vol 111, pg 447, 2013) SO COMPUTER METHODS AND PROGRAMS IN BIOMEDICINE LA English DT Correction C1 [Prague, Melanie; Commenges, Daniel; Thiebaut, Rodolphe] Univ Bordeaux, ISPED, Ctr INSERM U897 Epidemiol Biostat, F-33000 Bordeaux, France. [Prague, Melanie; Commenges, Daniel; Thiebaut, Rodolphe] INSERM, ISPED, Ctr INSERM U897 Epidemiol Biostat, F-33000 Bordeaux, France. [Guedj, Jeremie] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Drylewicz, Julia] Univ Med Ctr Utrecht, Lab Translat Immunol, NL-3508 AB Utrecht, Netherlands. [Drylewicz, Julia] Univ Utrecht, Dept Biol, NL-3584 CH Utrecht, Netherlands. RP Prague, M (reprint author), Univ Bordeaux, ISPED, F-33000 Bordeaux, Gironde, France. EM melanie.prague@isped.u-bordeaux2.fr RI Guedj, Jeremie/A-6842-2017 OI Guedj, Jeremie/0000-0002-5534-5482 NR 1 TC 0 Z9 0 U1 1 U2 1 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 0169-2607 EI 1872-7565 J9 COMPUT METH PROG BIO JI Comput. Meth. Programs Biomed. PD MAR PY 2014 VL 113 IS 3 BP 927 EP 927 DI 10.1016/j.cinpb.2013.09.015 PG 1 WC Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods; Engineering, Biomedical; Medical Informatics SC Computer Science; Engineering; Medical Informatics GA AB3YQ UT WOS:000331726500020 ER PT J AU Pruett, CL Whelan, C Ricono, A Lance, SL Glenn, T Faircloth, B Winker, K AF Pruett, Christin L. Whelan, Cesili Ricono, Angela Lance, Stacey L. Glenn, Travis Faircloth, Brant Winker, Kevin TI Development and characterization of microsatellite loci for two species of Beringian birds, rock sandpiper (Calidris ptilocnemis) and Pacific wren (Troglodytes pacificus) SO CONSERVATION GENETICS RESOURCES LA English DT Article DE Troglodytes; Calidris; PCR primers; Microsatellite; Aleutian Islands; Pribilof Islands ID DNA LOCI AB Identification and assessment of small, endemic populations are priorities for conservation. We isolated and characterized 8 microsatellite loci from rock sandpiper (Calidris ptilocnemis) and 5 microsatellite loci from Pacific wren (Troglodytes pacificus), species with endemic populations of named subspecies that are of conservation concern. Eighteen to 20 individuals of each species from several locations in Alaska were screened for polymorphism. Loci for each species showed high polymorphism, with rock sandpiper ranging from 5 to 14 alleles per locus and 0.73-0.88 expected heterozygosity and Pacific wren ranging from 5 to 14 alleles per locus and 0.55-0.91 expected heterozygosity. Loci developed for rock sandpipers were also polymorphic in closely related taxa. These loci are the first developed for either species and will be used to identify and conserve endemic populations in the Bering Sea region. C1 [Pruett, Christin L.; Whelan, Cesili; Ricono, Angela] Florida Inst Technol, Dept Biol Sci, Melbourne, FL 32901 USA. [Lance, Stacey L.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. [Glenn, Travis] Univ Georgia, Dept Environm Hlth Sci, Athens, GA 30602 USA. [Faircloth, Brant] Univ Calif Los Angeles, Dept Ecol & Evolutionary Biol, Los Angeles, CA 90095 USA. [Winker, Kevin] Univ Alaska Museum, Fairbanks, AK 99775 USA. RP Pruett, CL (reprint author), Florida Inst Technol, Dept Biol Sci, Melbourne, FL 32901 USA. EM cpruett@fit.edu RI Winker, Kevin/M-2042-2014; Lance, Stacey/K-9203-2013; OI Winker, Kevin/0000-0002-8985-8104; Lance, Stacey/0000-0003-2686-1733; Faircloth, Brant/0000-0002-1943-0217 FU Florida Institute of Technology; University of Alaska Museum; U.S. Department of Energy [DE-FC09-07SR22506] FX This work was supported by the Florida Institute of Technology, University of Alaska Museum, and by the U.S. Department of Energy under Award Number DE-FC09-07SR22506 to the University of Georgia Research Foundation. We thank M. Zimmerman, S. Garcia, M. Smith, and R. Selvam for help in the laboratory. NR 5 TC 1 Z9 1 U1 0 U2 20 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1877-7252 EI 1877-7260 J9 CONSERV GENET RESOUR JI Conserv. Genet. Resour. PD MAR PY 2014 VL 6 IS 1 BP 175 EP 177 DI 10.1007/s12686-013-0040-4 PG 3 WC Biodiversity Conservation; Genetics & Heredity SC Biodiversity & Conservation; Genetics & Heredity GA AB3RQ UT WOS:000331708300046 ER PT J AU Morales-Leyva, A Medellin, RA Lance, SL Rodriguez-Herrera, B Del Real-Monroy, M Ortega, J AF Morales-Leyva, Alberto Medellin, Rodrigo A. Lance, Stacey L. Rodriguez-Herrera, Bernal Del Real-Monroy, Melina Ortega, Jorge TI Development of microsatellite loci for the Honduran white-bat (Ectophylla alba) by using Illumina paired-end sequences SO CONSERVATION GENETICS RESOURCES LA English DT Article DE Ectophylla alba; Illumina; Microsatellites; Pal_finder AB Ectophylla alba is a bat restricted to Costa Rica, Honduras, Nicaragua and Panama. A technique based on Illumina paired-end sequencing of a library highly enriched for microsatellite repeats was used to develop loci. Thirteen polymorphic (tri, tetra- and pentanucleotide) microsatellites were developed and tested. All markers were genotyped on 42 different individuals from 5 distinct locations. We observed low to medium-high genetic variation across most loci. Levels of expected heterozygosity across all markers was medium to low (mean H-E = 0.659, mean H-O = 0.672). C1 [Morales-Leyva, Alberto; Del Real-Monroy, Melina; Ortega, Jorge] Inst Politecn Nacl, Lab Bioconservac & Manejo, Dept Zool, Escuela Nacl Ciencias Biol, Mexico City 11340, DF, Mexico. [Medellin, Rodrigo A.] Univ Nacl Autonoma Mexico, Lab Ecol & Conservac Vertebrados, Dept Ecol Biodiversidad, Inst Ecol, Mexico City 04510, DF, Mexico. [Lance, Stacey L.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29803 USA. [Rodriguez-Herrera, Bernal] Univ Costa Rica, Escuela Biol, Secc Zool, San Jose, Costa Rica. RP Ortega, J (reprint author), Inst Politecn Nacl, Lab Bioconservac & Manejo, Dept Zool, Escuela Nacl Ciencias Biol, Prolongac Carpio & Plan Ayala S-N, Mexico City 11340, DF, Mexico. EM artibeus2@aol.com RI Lance, Stacey/K-9203-2013 OI Lance, Stacey/0000-0003-2686-1733 FU CONACyT Ciencia Basica [156725]; DOE [DE-FC09-07SR22506]; CONACyT [156725] FX Financial support was provided by CONACyT Ciencia Basica (156725). Alberto Morales-Leyva thanks supporting field work provided by R. A. Medellin and B. Rodriguez-Herrera. Manuscript preparation was partially supported by the DOE under Award Number DE-FC09-07SR22506 to the University of Georgia Research Foundation. Alberto Morales-Leyva is supported by a scholarship provided by CONACyT (156725) as undergraduate student in ENCB, IPN. NR 5 TC 0 Z9 0 U1 4 U2 16 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1877-7252 EI 1877-7260 J9 CONSERV GENET RESOUR JI Conserv. Genet. Resour. PD MAR PY 2014 VL 6 IS 1 BP 219 EP 220 DI 10.1007/s12686-013-0065-8 PG 2 WC Biodiversity Conservation; Genetics & Heredity SC Biodiversity & Conservation; Genetics & Heredity GA AB3RQ UT WOS:000331708300059 ER PT J AU Peet, YT Fischer, PF AF Peet, Y. T. Fischer, P. F. TI Legendre spectral element method with nearly incompressible materials SO EUROPEAN JOURNAL OF MECHANICS A-SOLIDS LA English DT Article DE Spectral element method; Nearly incompressible materials; Poisson locking ID ITERATIVE SUBSTRUCTURING METHODS; NAVIER-STOKES EQUATIONS; P-VERSION; ELASTICITY PROBLEMS; FINITE-ELEMENTS; LINEAR ELASTICITY; ELLIPTIC-SYSTEMS; BLOOD-FLOW; LOCKING; DISCRETIZATIONS AB We investigate convergence behavior of a spectral element method based on Legendre polynomial shape functions solving linear elasticity equations for a range of Poisson's ratios of a material. We document uniform convergence rates independent of Poisson's ratio for a wide class of problems with both straight and curved elements in two and three dimensions, demonstrating locking-free properties of the spectral element method with nearly incompressible materials. We investigate computational efficiency of the current method without a preconditioner and with a simple mass-matrix preconditioner, however no attempt to optimize a choice of a preconditioner was made. (C) 2013 Elsevier Masson SAS. All rights reserved. C1 [Peet, Y. T.] Arizona State Univ, Sch Engn Matter Transport & Energy, Tempe, AZ 85287 USA. [Peet, Y. T.; Fischer, P. F.] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. RP Peet, YT (reprint author), Arizona State Univ, Sch Engn Matter Transport & Energy, Tempe, AZ 85287 USA. EM ypeet@asu.edu; fischer@mcs.anl.gov OI Peet, Yulia/0000-0003-4072-1278 FU NSF RTG at Northwestern University [DMS-0636574]; SHARP project of the U.S. Department of Energy [DE-AC02-06CH11357] FX This work has been initiated when Y.P. was an NSF RTG post-doctoral fellow at the Department of Engineering Sciences and Applied Mathematics at Northwestern University. We acknowledge the financial support of the NSF RTG grant DMS-0636574 at Northwestern University and the SHARP project of the U.S. Department of Energy, under Contract DE-AC02-06CH11357. NR 55 TC 2 Z9 2 U1 0 U2 8 PU GAUTHIER-VILLARS/EDITIONS ELSEVIER PI PARIS PA 23 RUE LINOIS, 75015 PARIS, FRANCE SN 0997-7538 EI 1873-7285 J9 EUR J MECH A-SOLID JI Eur. J. Mech. A-Solids PD MAR-APR PY 2014 VL 44 BP 91 EP 103 DI 10.1016/j.euromechsol.2013.10.004 PG 13 WC Mechanics SC Mechanics GA AB2ZW UT WOS:000331662100007 ER PT J AU Wu, WT Aubry, N Massoudi, M Kim, J Antaki, JF AF Wu, Wei-Tao Aubry, Nadine Massoudi, Mehrdad Kim, Jeongho Antaki, James F. TI A numerical study of blood flow using mixture theory SO INTERNATIONAL JOURNAL OF ENGINEERING SCIENCE LA English DT Article DE Blood flow; Mixture theory; Two phase flow; Rheology; Channel flow; Non-linear fluids ID FLUID-SOLID MIXTURE; TUBE FLOW; PLATELET DEPOSITION; BOUNDARY-CONDITIONS; MATHEMATICAL-MODEL; CONTINUUM-THEORIES; SOFT-TISSUES; CELL-VOLUME; VISCOSITY; PLASMA AB In this paper, we consider the two dimensional flow of blood in a rectangular microfluidic channel. We use Mixture Theory to treat this problem as a two-component system: One component is the red blood cells (RBCs) modeled as a generalized Reiner-Rivlin type fluid, which considers the effects of volume fraction (hematocrit) and influence of shear rate upon viscosity. The other component, plasma, is assumed to behave as a linear viscous fluid. A CFD solver based on OpenFOAM (R) was developed and employed to simulate a specific problem, namely blood flow in a two dimensional micro-channel, is studied. Finally to better understand this two-component flow system and the effects of the different parameters, the equations are made dimensionless and a parametric study is performed. Published by Elsevier Ltd. C1 [Wu, Wei-Tao] Carnegie Mellon Univ, Dept Mech Engn, Pittsburgh, PA 15213 USA. [Aubry, Nadine] Northeastern Univ, Dept Mech Engn, Boston, MA 02115 USA. [Massoudi, Mehrdad] US DOE, NETL, Pittsburgh, PA 15236 USA. [Kim, Jeongho; Antaki, James F.] Carnegie Mellon Univ, Dept Biomed Engn, Pittsburgh, PA 15213 USA. RP Massoudi, M (reprint author), US DOE, NETL, POB 10940, Pittsburgh, PA 15236 USA. EM Mehrdad.Massoudi@NETL.DOE.GOV RI Antaki, James/S-3051-2016 OI Antaki, James/0000-0002-5430-7353 FU NIH [1 R01 HL089456] FX This research was supported in part by NIH grant 1 R01 HL089456. NR 86 TC 8 Z9 9 U1 1 U2 28 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0020-7225 EI 1879-2197 J9 INT J ENG SCI JI Int. J. Eng. Sci. PD MAR PY 2014 VL 76 BP 56 EP 72 DI 10.1016/j.ijengsci.2013.12.001 PG 17 WC Engineering, Multidisciplinary SC Engineering GA AB3CU UT WOS:000331669700006 PM 24791016 ER PT J AU Boyce, BL AF Boyce, Brad L. TI Preface to the Special Issue on the Sandia Fracture Challenge SO INTERNATIONAL JOURNAL OF FRACTURE LA English DT Editorial Material C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Boyce, BL (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM blboyce@sandia.gov NR 0 TC 1 Z9 2 U1 0 U2 6 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0376-9429 EI 1573-2673 J9 INT J FRACTURE JI Int. J. Fract. PD MAR PY 2014 VL 186 IS 1-2 SI SI BP 1 EP 3 DI 10.1007/s10704-014-9929-5 PG 3 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA AB2XB UT WOS:000331654300001 ER PT J AU Boyce, BL Kramer, SLB Fang, HE Cordova, TE Neilsen, MK Dion, K Kaczmarowski, AK Karasz, E Xue, L Gross, AJ Ghahremaninezhad, A Ravi-Chandar, K Lin, SP Chi, SW Chen, JS Yreux, E Ruter, M Qian, D Zhou, Z Bhamare, S O'Connor, DT Tang, S Elkhodary, KI Zhao, J Hochhalter, JD Cerrone, AR Ingraffea, AR Wawrzynek, PA Carter, BJ Emery, JM Veilleux, MG Yang, P Gan, Y Zhang, X Chen, Z Madenci, E Kilic, B Zhang, T Fang, E Liu, P Lua, J Nahshon, K Miraglia, M Cruce, J DeFrese, R Moyer, ET Brinckmann, S Quinkert, L Pack, K Luo, M Wierzbicki, T AF Boyce, B. L. Kramer, S. L. B. Fang, H. E. Cordova, T. E. Neilsen, M. K. Dion, K. Kaczmarowski, A. K. Karasz, E. Xue, L. Gross, A. J. Ghahremaninezhad, A. Ravi-Chandar, K. Lin, S. -P. Chi, S. -W. Chen, J. S. Yreux, E. Ruter, M. Qian, D. Zhou, Z. Bhamare, S. O'Connor, D. T. Tang, S. Elkhodary, K. I. Zhao, J. Hochhalter, J. D. Cerrone, A. R. Ingraffea, A. R. Wawrzynek, P. A. Carter, B. J. Emery, J. M. Veilleux, M. G. Yang, P. Gan, Y. Zhang, X. Chen, Z. Madenci, E. Kilic, B. Zhang, T. Fang, E. Liu, P. Lua, J. Nahshon, K. Miraglia, M. Cruce, J. DeFrese, R. Moyer, E. T. Brinckmann, S. Quinkert, L. Pack, K. Luo, M. Wierzbicki, T. TI The Sandia Fracture Challenge: blind round robin predictions of ductile tearing SO INTERNATIONAL JOURNAL OF FRACTURE LA English DT Article DE Fracture; Tearing; Deformation; Ductility; Failure; Damage; Crack initiation ID POLYCRYSTALLINE AL 6061-T6; KERNEL PARTICLE METHODS; FATIGUE-CRACK GROWTH; LARGE-DEFORMATION; FAILURE BEHAVIOR; GURSON MODEL; SHEAR; DAMAGE; PROPAGATION; PLASTICITY AB Existing and emerging methods in computational mechanics are rarely validated against problems with an unknown outcome. For this reason, Sandia National Laboratories, in partnership with US National Science Foundation and Naval Surface Warfare Center Carderock Division, launched a computational challenge in mid-summer, 2012. Researchers and engineers were invited to predict crack initiation and propagation in a simple but novel geometry fabricated from a common off-the-shelf commercial engineering alloy. The goal of this international Sandia Fracture Challenge was to benchmark the capabilities for the prediction of deformation and damage evolution associated with ductile tearing in structural metals, including physics models, computational methods, and numerical implementations currently available in the computational fracture community. Thirteen teams participated, reporting blind predictions for the outcome of the Challenge. The simulations and experiments were performed independently and kept confidential. The methods for fracture prediction taken by the thirteen teams ranged from very simple engineering calculations to complicated multiscale simulations. The wide variation in modeling results showed a striking lack of consistency across research groups in addressing problems of ductile fracture. While some methods were more successful than others, it is clear that the problem of ductile fracture prediction continues to be challenging. Specific areas of deficiency have been identified through this effort. Also, the effort has underscored the need for additional blind prediction-based assessments. C1 [Boyce, B. L.; Kramer, S. L. B.; Fang, H. E.; Cordova, T. E.; Neilsen, M. K.; Dion, K.; Kaczmarowski, A. K.; Karasz, E.; Emery, J. M.; Veilleux, M. G.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Xue, L.] Schlumberger, Sugar Land, TX USA. [Gross, A. J.; Ravi-Chandar, K.] Univ Texas Austin, Austin, TX 78712 USA. [Ghahremaninezhad, A.] Univ Miami, Coral Gables, FL 33124 USA. [Lin, S. -P.; Chen, J. S.; Yreux, E.; Ruter, M.] Univ Calif Los Angeles, Los Angeles, CA USA. [Chi, S. -W.] Univ Illinois, Chicago, IL USA. [Qian, D.; Zhou, Z.] Univ Texas Dallas, Dallas, TX 75230 USA. [Bhamare, S.] Univ Cincinnati, Cincinnati, OH USA. [O'Connor, D. T.; Zhao, J.] Northwestern Univ, Evanston, IL USA. [Tang, S.] Chongqing Univ, Chongqing 630044, Peoples R China. [Elkhodary, K. I.] Amer Univ Cairo, Dept Mech Engn, Cairo, Egypt. [Hochhalter, J. D.] NASA Langley, Hampton, VA USA. [Cerrone, A. R.; Ingraffea, A. R.; Wawrzynek, P. A.; Carter, B. J.] Cornell Univ, Ithaca, NY USA. [Yang, P.; Zhang, X.] Tsinghua Univ, Beijing 100084, Peoples R China. [Gan, Y.] Zhejiang Univ, Hangzhou 310027, Peoples R China. [Chen, Z.] Univ Missouri, Columbia, MO USA. [Chen, Z.] Dalian Univ Technol, Dalian, Peoples R China. [Madenci, E.; Kilic, B.] Univ Arizona, Tucson, AZ USA. [Zhang, T.; Fang, E.; Liu, P.; Lua, J.] Global Engn & Mat Inc, Princeton, NJ USA. [Nahshon, K.; Miraglia, M.; Cruce, J.; DeFrese, R.; Moyer, E. T.] Naval Surface Warfare Ctr Carderock Div, Washington, DC USA. [Brinckmann, S.] Max Planck Inst Eisenforsch GmbH, D-40074 Dusseldorf, Germany. [Quinkert, L.] Ruhr Univ Bochum, Bochum, Germany. [Pack, K.; Luo, M.; Wierzbicki, T.] MIT, Cambridge, MA 02139 USA. RP Boyce, BL (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM blboyce@sandia.gov RI Xue, Liang/A-1266-2007; Qian, Dong/B-2326-2008; Luo, Meng/J-3829-2013; Brinckmann, Steffen/G-7075-2011; OI Xue, Liang/0000-0003-0468-0624; Qian, Dong/0000-0001-9367-0924; Brinckmann, Steffen/0000-0003-0930-082X; Elkhodary, Khalil/0000-0002-0249-5751; Emery, John /0000-0001-6671-4952 NR 71 TC 23 Z9 23 U1 1 U2 58 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0376-9429 EI 1573-2673 J9 INT J FRACTURE JI Int. J. Fract. PD MAR PY 2014 VL 186 IS 1-2 SI SI BP 5 EP 68 DI 10.1007/s10704-013-9904-6 PG 64 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA AB2XB UT WOS:000331654300002 ER PT J AU Neilsen, MK Dion, KN Fang, HE Kaczmarowski, AK Karasz, E AF Neilsen, Michael K. Dion, Kristin N. Fang, H. Eliot Kaczmarowski, Amy K. Karasz, Erin TI Ductile tearing predictions with Wellman's failure model SO INTERNATIONAL JOURNAL OF FRACTURE LA English DT Article DE Ductile tearing; Metals; Plasticity; Damage; Constitutive model AB Predictions for the Sandia National Laboratories fracture challenge (Boyce et al. in Int J Fract 2013) were generated using a transient dynamic finite element code with a multi-linear elastic plastic failure model developed by Wellman (Simple approach to modeling ductile failure. Sandia National Laboratories, Albuquerque 2012). This model is a conventional, rate independent, von Mises plasticity model for metals with user-prescribed hardening as a function of equivalent plastic strain. In addition to conventional plasticity, this model has empirical criteria for crack initiation and growth. Ductile tearing predictions generated with this model were found to be in good agreement with experimental measurements and observations. C1 [Neilsen, Michael K.; Dion, Kristin N.; Fang, H. Eliot; Kaczmarowski, Amy K.; Karasz, Erin] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Neilsen, MK (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mkneils@sandia.gov FU US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Sandia National Laboratories FX Reviews of this paper by two external reviewers, and internal reviewers, Dr. E. Corona and Dr. J. Emery are gratefully acknowledged and improved the quality of this paper. 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. Sandia National Laboratories support of this work is gratefully acknowledged. NR 9 TC 4 Z9 4 U1 0 U2 2 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0376-9429 EI 1573-2673 J9 INT J FRACTURE JI Int. J. Fract. PD MAR PY 2014 VL 186 IS 1-2 SI SI BP 107 EP 115 DI 10.1007/s10704-013-9913-5 PG 9 WC Materials Science, Multidisciplinary; Mechanics SC Materials Science; Mechanics GA AB2XB UT WOS:000331654300005 ER PT J AU He, ZL Xiong, JB Kent, AD Deng, Y Xue, K Wang, GJ Wu, LY Van Nostrand, JD Zhou, JZ AF He, Zhili Xiong, Jinbo Kent, Angela D. Deng, Ye Xue, Kai Wang, Gejiao Wu, Liyou Van Nostrand, Joy D. Zhou, Jizhong TI Distinct responses of soil microbial communities to elevated CO2 and O-3 in a soybean agro-ecosystem SO ISME JOURNAL LA English DT Article DE microbial responses/feedbacks; soil microbial community; elevated CO2; elevated O-3; functional genes; soybean/SoyFACE; agro-ecosystem ID ATMOSPHERIC CARBON-DIOXIDE; FUNCTIONAL GENE MICROARRAYS; PLANT DIVERSITY; NITROGEN TRANSFORMATIONS; ECOSYSTEM RESPONSES; FOREST PRODUCTIVITY; TROPOSPHERIC OZONE; TREMBLING ASPEN; CLIMATE-CHANGE; WINTER-WHEAT AB The concentrations of atmospheric carbon dioxide (CO2) and tropospheric ozone (O-3) have been rising due to human activities. However, little is known about how such increases influence soil microbial communities. We hypothesized that elevated CO2(eCO(2)) and elevated O-3 (eO(3)) would significantly affect the functional composition, structure and metabolic potential of soil microbial communities, and that various functional groups would respond to such atmospheric changes differentially. To test these hypotheses, we analyzed 96 soil samples from a soybean free-air CO2 enrichment (SoyFACE) experimental site using a comprehensive functional gene microarray (GeoChip 3.0). The results showed the overall functional composition and structure of soil microbial communities shifted under eCO(2), eO(3) or eCO(2)+eO(3). Key functional genes involved in carbon fixation and degradation, nitrogen fixation, denitrification and methane metabolism were stimulated under eCO(2), whereas those involved in N fixation, denitrification and N mineralization were suppressed under eO(3), resulting in the fact that the abundance of some eO(3)-supressed genes was promoted to ambient, or eCO(2)-induced levels by the interaction of eCO(2)+eO(3)ch effects appeared distinct for each treatment and significantly correlated with soil properties and soybean yield. Overall, our analysis suggests possible mechanisms of microbial responses to global atmospheric change factors through the stimulation of C and N cycling by eCO(2), the inhibition of N functional processes by eO(3) and the interaction by eCO(2) and eO(3). This study provides new insights into our understanding of microbial functional processes in response to global atmospheric change in soybean agro-ecosystems. C1 [He, Zhili; Xiong, Jinbo; Deng, Ye; Xue, Kai; Wu, Liyou; Van Nostrand, Joy D.; Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. [He, Zhili; Xiong, Jinbo; Deng, Ye; Xue, Kai; Wu, Liyou; Van Nostrand, Joy D.; Zhou, Jizhong] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. [Xiong, Jinbo] Ningbo Univ, Fac Marine Sci, Ningbo 315211, Zhejiang, Peoples R China. [Kent, Angela D.] Univ Illinois, Dept Nat Resources & Environm Sci, Urbana, IL USA. [Wang, Gejiao] Huazhong Agr Univ, Coll Life Sci & Technol, State Key Lab Agr Microbiol, Wuhan, Peoples R China. [Zhou, Jizhong] Tsinghua Univ, State Key Joint Lab Environm Simulat & Pollut Con, Sch Environm, Beijing 100084, Peoples R China. [Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP He, ZL (reprint author), Univ Oklahoma, Inst Environm Genom, 101 David L Boren Blvd, Norman, OK 73019 USA. EM zhili.he@ou.edu; jzhou@ou.edu RI Van Nostrand, Joy/F-1740-2016; OI Van Nostrand, Joy/0000-0001-9548-6450; Kent, Angela/0000-0003-1837-2382; ?, ?/0000-0002-7584-0632 FU US Department of Agriculture [2007-35319-18305]; US Department of Energy, Biological Systems Research on the Role of Microbial Communities in Carbon Cycling Program [DE-SC0004601]; US Department of Energy [DE-AC0205CH11231] FX Assistance with sample collection was provided by Ariane L Peralta, Yu-rui Chang, Sara F Paver, Diana N Flanagan and Anthony C Yannarell. We thank Lisa Ainsworth and Andrew Leakey for helpful comments on this manuscript. This work is supported by the US Department of Agriculture (Project 2007-35319-18305) through the NSF-USDA Microbial Observatories Program, by the US Department of Energy, Biological Systems Research on the Role of Microbial Communities in Carbon Cycling Program (DE-SC0004601). The GeoChips and associated computational pipelines used in this study were supported by ENIGMA-Ecosystems and Networks Integrated with Genes and Molecular Assemblies through the Office of Science, Office of Biological and Environmental Research, the US Department of Energy under Contract No. DE-AC0205CH11231. NR 81 TC 14 Z9 15 U1 7 U2 129 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1751-7362 EI 1751-7370 J9 ISME J JI ISME J. PD MAR PY 2014 VL 8 IS 3 BP 714 EP 726 DI 10.1038/ismej.2013.177 PG 13 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA AB6EH UT WOS:000331879900019 PM 24108327 ER PT J AU Turchi, PEA Soderlind, P Landa, AI AF Turchi, P. E. A. Soederlind, P. Landa, A. I. TI From Electronic Structure to Thermodynamics of Actinide-Based Alloys SO JOM LA English DT Article ID GENERALIZED GRADIENT APPROXIMATION; U-ZR SYSTEMS; 5F ELECTRONS; THERMO-CALC; DELTA-PU; METALS; TRANSITION; PLUTONIUM; SIMULATION; ELEMENTS AB In this brief review, we show that thermodynamic modeling of complex multicomponent actinide-based alloys is crucial for fuel development and for predicting the impact of evolving fuel chemistry with time on materials performance. With input from energetics and equilibrium properties of alloys from ab initio electronic-structure calculations, within the framework of density-functional theory, the CALPHAD methodology is a viable approach to thermodynamic assessment for this class of materials. Despite the limited availability of experimental thermodynamic data, this approach can predict important features in the phase diagram and, perhaps more importantly, guide and motivate further experiments for validating the methodology and the data for subsequent modeling of materials performance on a higher level. C1 [Turchi, P. E. A.; Soederlind, P.; Landa, A. I.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94551 USA. RP Turchi, PEA (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, 7000 East Ave,POB 808, Livermore, CA 94551 USA. EM turchi1@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Laboratory Directed Research and Development Program [12-SI-008] 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. Work at the LLNL was funded by the Laboratory Directed Research and Development Program under project tracking code 12-SI-008. P. T. gratefully acknowledges useful discussions with Alexey Savchenko from the A. A. Bochvar All Russia Institute of Inorganic Materials (Moscow, Russia). NR 98 TC 2 Z9 2 U1 1 U2 27 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 EI 1543-1851 J9 JOM-US JI JOM PD MAR PY 2014 VL 66 IS 3 BP 375 EP 388 DI 10.1007/s11837-014-0882-6 PG 14 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA AB9BM UT WOS:000332084100003 ER PT J AU Zimmerman, JA Sabau, AS Zaeem, MA Tschopp, MA Spearot, DE AF Zimmerman, Jonathan A. Sabau, Adrian S. Zaeem, Mohsen Asle Tschopp, Mark A. Spearot, Douglas E. TI Algorithm Development in Computational Materials Science SO JOM LA English DT Article C1 [Zimmerman, Jonathan A.] Sandia Natl Labs, Mech Mat Dept, Livermore, CA 94550 USA. [Sabau, Adrian S.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Zaeem, Mohsen Asle] Missouri Univ Sci & Technol, Mat Sci & Engn Dept, Rolla, MO 65409 USA. [Tschopp, Mark A.] US Army Res Lab, Mat & Mfg Sci Div, Adelphi, MD 20783 USA. [Spearot, Douglas E.] Univ Arkansas, Dept Mech Engn, Fayetteville, AR 72701 USA. RP Zimmerman, JA (reprint author), Sandia Natl Labs, Mech Mat Dept, Livermore, CA 94550 USA. EM jzimmer@sandia.gov RI Sabau, Adrian/B-9571-2008; Tschopp, Mark/B-1594-2008 OI Sabau, Adrian/0000-0003-3088-6474; Tschopp, Mark/0000-0001-8471-5035 NR 6 TC 0 Z9 0 U1 1 U2 17 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 EI 1543-1851 J9 JOM-US JI JOM PD MAR PY 2014 VL 66 IS 3 BP 397 EP 398 DI 10.1007/s11837-013-0846-2 PG 2 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA AB9BM UT WOS:000332084100005 ER PT J AU Lebensohn, RA Pokharel, R AF Lebensohn, Ricardo A. Pokharel, Reeju TI Interpretation of Microstructural Effects on Porosity Evolution Using a Combined Dilatational/Crystal Plasticity Computational Approach SO JOM LA English DT Article ID TEXTURE DEVELOPMENT; NUMERICAL-METHOD; POLYCRYSTALS; COMPOSITES; STRAIN; VOIDS; DEFORMATION; GROWTH; SOLIDS AB A novel formulation based on fast Fourier transforms for the prediction of ductile damage of polycrystalline materials that combines crystal plasticity and dilatational plasticity is reviewed and applied to understand the microstructural origin of available experimental evidence of porosity evolution in incipiently spalled Cu polycrystals. The influence of the Taylor factor of the crystalline ligaments linking interacting voids and the microstructural origin of a nonmonotonic grain-size dependence on porosity evolution is investigated and rationalized by means of numerical simulations using the new model. C1 [Lebensohn, Ricardo A.; Pokharel, Reeju] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Lebensohn, RA (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM lebenso@lanl.gov RI Lebensohn, Ricardo/A-2494-2008 OI Lebensohn, Ricardo/0000-0002-3152-9105 FU LANL's Laboratory-Directed Research and Development-Directed Research (LDRD-DR) [20140114DR]; ASC Science-Based Validation and Verification Programs FX This work was supported by LANL's Laboratory-Directed Research and Development-Directed Research (LDRD-DR, Project 20140114DR) and ASC Science-Based Validation and Verification Programs. NR 21 TC 3 Z9 3 U1 0 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 EI 1543-1851 J9 JOM-US JI JOM PD MAR PY 2014 VL 66 IS 3 BP 437 EP 443 DI 10.1007/s11837-013-0849-z PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA AB9BM UT WOS:000332084100010 ER PT J AU Li, DS AF Li, Dongsheng TI Review of Structure Representation and Reconstruction on Mesoscale and Microscale SO JOM LA English DT Review ID STOCHASTIC RECONSTRUCTION; POROUS-MEDIA; MICROSTRUCTURE RECONSTRUCTIONS; 3-DIMENSIONAL CHARACTERIZATION; CRYSTALLOGRAPHIC TEXTURE; HETEROGENEOUS MATERIALS; COMPUTER-SIMULATIONS; 2-POINT STATISTICS; FOURIER-TRANSFORMS; 3D RECONSTRUCTION AB Structure representation and reconstruction at both the mesoscale and microscale are critical in materials design, advanced manufacturing, and multiscale modeling. Structure reconstruction has been applied in different areas of materials science and technology, structural materials, energy materials, geology, hydrology, etc. This review summarizes the descriptors and formulations used to represent structures at the microscale and mesoscale, as well as reconstruction algorithms. In stochastic methods using correlation function, different optimization approaches have been adapted for objective function minimization. A variety of reconstruction approaches is compared for efficiency and accuracy. C1 [Li, Dongsheng] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [Li, Dongsheng] Pratt & Whitney, E Hartford, CT 06108 USA. RP Li, DS (reprint author), Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. EM dongshengli@gmail.com FU Laboratory Directed Research and Development; U.S. Department of Energy [DE-AC05-76RL01830] FX The author acknowledges support from the Laboratory Directed Research and Development-funded Chemical Imaging Initiative at Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the U.S. Department of Energy under contract DE-AC05-76RL01830. NR 73 TC 4 Z9 4 U1 6 U2 41 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 EI 1543-1851 J9 JOM-US JI JOM PD MAR PY 2014 VL 66 IS 3 BP 444 EP 454 DI 10.1007/s11837-013-0848-0 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA AB9BM UT WOS:000332084100011 ER PT J AU Wiersma, BJ AF Wiersma, Bruce J. TI The Performance of Underground Radioactive Waste Storage Tanks at the Savannah River Site: A 60-Year Historical Perspective SO JOM LA English DT Article AB The Savannah River Site produced weapons-grade materials for nearly 35 years between 1953 and 1988. The legacy of this production is nearly 37 million gallons of radioactive waste. Since the 1950s, the liquid waste has been stored in large, underground carbon steel waste tanks. During the past 20 years, the site has begun to process the waste so that it may be stored in vitrified and grout forms, which are more suitable for long-term storage. Over the history of the site, some tanks have experienced leakage of the waste to the secondary containment. This article is a review of the instances of leakage and corrosion degradation that the tanks and associated equipment have experienced since the first tanks were built. Furthermore, the activities that the site has taken to mitigate the degradation and manage the service life of the tank for its anticipated lifetime are reviewed. C1 Savannah River Natl Lab, Aiken, SC 29808 USA. RP Wiersma, BJ (reprint author), Savannah River Natl Lab, Bldg 773-A,Rm D-1125, Aiken, SC 29808 USA. EM bruce.wiersma@srnl.doe.gov NR 39 TC 1 Z9 1 U1 3 U2 12 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 EI 1543-1851 J9 JOM-US JI JOM PD MAR PY 2014 VL 66 IS 3 BP 471 EP 502 DI 10.1007/s11837-014-0870-x PG 32 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA AB9BM UT WOS:000332084100014 ER PT J AU Blakely, CK Davis, JD Bruno, SR Kraemer, SK Zhu, MZ Ke, XL Bi, WL Alp, EE Poltavets, VV AF Blakely, Colin K. Davis, Joshua D. Bruno, Shaun R. Kraemer, Shannon K. Zhu, Mengze Ke, Xianglin Bi, Wenli Alp, E. Ercan Poltavets, Viktor V. TI Multistep synthesis of the SrFeO2F perovskite oxyfluoride via the SrFeO2 infinite-layer intermediate SO JOURNAL OF FLUORINE CHEMISTRY LA English DT Article DE SrFeO2F; Oxyfluoride; Multistep synthesis; Soft chemistry; SrFeO2; Topotactic chemistry ID INORGANIC OXIDE FLUORIDES; TOPOTACTIC ROUTE; MANIPULATION; FLUORINATION; STRATEGIES; INSERTION; CA AB The SrFeO2F oxyfluoride was prepared through a low temperature, multistep synthetic route starting with the SrFe03, perovskite via the SrFeO2 infinite layer intermediate phase. In the final step SrFeO2F was formed by reacting SrFeO2 with XeF2 at 150 degrees C. In spite of utilizing an intermediate with layered ordering of oxygen vacancies, disordered SrFeO2F was synthesized. Rietveld refinement of synchrotron powder diffraction data did not reveal any signs of tetragonal distortion predicted by DFT calculations for SrFeO2F with layered O/F ordering. Significantly, the magnetic properties observed are drastically different from those reported earlier in the literature indicating that the properties of O/F disordered phases depend on the degree of short range ordering. Mossbauer spectroscopy measurements revealed the predominance of cis fluorine configuration in SrFeO2 polyhedra, confirming a difference in local Fe coordination in comparison with O/F disordered SrFeO2F. (C) 2013 Elsevier B.V. All rights reserved. C1 [Blakely, Colin K.; Davis, Joshua D.; Bruno, Shaun R.; Kraemer, Shannon K.; Poltavets, Viktor V.] Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA. [Zhu, Mengze; Ke, Xianglin] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Bi, Wenli; Alp, E. Ercan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Bi, Wenli] Univ Illinois, Dept Geol, Urbana, IL 61801 USA. RP Poltavets, VV (reprint author), Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA. EM poltavets@chemistry.msu.edu OI Poltavets, Viktor/0000-0001-5086-7743 FU National Science Foundation [DMR- 1206718]; U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-ACO2-06CH11357]; COMPRES (the Consortium for Materials Properties Research in Earth Sciences) FX This work was supported by the National Science Foundation through Grant DMR- 1206718. 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-ACO2-06CH11357. The Mossbauer lab at the Advanced Photon Source is partially supported by COMPRES (the Consortium for Materials Properties Research in Earth Sciences). NR 38 TC 11 Z9 12 U1 3 U2 42 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0022-1139 EI 1873-3328 J9 J FLUORINE CHEM JI J. Fluor. Chem. PD MAR PY 2014 VL 159 BP 8 EP 14 DI 10.1016/j.jfluchem.2013.12.007 PG 7 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA AB9UT UT WOS:000332141900002 ER PT J AU Palaia, JM McConnell, M Achenbach, JE Gustafson, CE Stoermer, KA Nolan, M Guay, LA Leitner, TK Matovu, F Taylor, AW Fowler, MG Janoff, EN AF Palaia, Jana M. McConnell, Michelle Achenbach, Jenna E. Gustafson, Claire E. Stoermer, Kristina A. Nolan, Monica Guay, Laura A. Leitner, Thomas K. Matovu, Flavia Taylor, Allan W. Fowler, Mary Glenn Janoff, Edward N. TI Neutralization of HIV subtypes A and D by breast milk IgG from women with HIV infection in Uganda SO JOURNAL OF INFECTION LA English DT Article DE Breast milk; HIV; Neutralization; IgG,IgA; Uganda; Subtype A; Subtype D; Mucosal immunity ID IMMUNODEFICIENCY-VIRUS TYPE-1; LACTATING RHESUS-MONKEYS; CELL-FREE HIV; MONOCLONAL-ANTIBODIES; ENVELOPE GLYCOPROTEIN; SECRETORY IGA; TRANSMISSION; RESPONSES; INFANT; TRANSCYTOSIS AB Objectives: Among HIV-exposed infants in resource-limited countries, 8e12% are infected postnatally by breastfeeding. However, most of those uninfected at birth remain uninfected over time despite daily exposure to HIV in breast milk. Thus, we assessed the HIVinhibitory activity of breast milk. Methods: We measured cross-clade neutralization in activated PBMC of Ugandan subtype A (92UG031) and D (92UG005) primary HIV by breast milk or purified milk IgG and IgA from 25 HIV-infected Ugandan women. Isotype-specific antigen recognition was resolved by immunoblot. We determined HIV subtype from envelope population sequences in cells from 13 milk samples by PCR. Results: Milk inhibited p24 production by >= 50% (dose-dependent) by subtype A (21/25; 84%) and subtype D (11/25; 44%). IgG consistently reacted with multiple HIV antigens, including gp120/gp41, but IgA primarily recognized p24 alone. Depletion of IgG (n Z 5), not IgA, diminished neutralization (mean 78 +/- 33%) that was largely restored by IgG repletion. Mothers infected with subtype A more effectively neutralized subtype A than D. Conclusions: Breast milk from HIV-infected women showed homotypic and cross-subtype neutralization of HIV by IgG-dependent and -independent mechanisms. These data direct further investigations into mechanisms of resistance against postnatal transmission of HIV to infants from their mothers. (C) 2013 Published by Elsevier Ltd on behalf of The British Infection Association. C1 [Palaia, Jana M.; Achenbach, Jenna E.; Gustafson, Claire E.; Stoermer, Kristina A.; Janoff, Edward N.] Univ Colorado, MAVRC, Aurora, CO 80045 USA. [Palaia, Jana M.; Gustafson, Claire E.; Janoff, Edward N.] Denver Vet Affairs Med Ctr, Denver, CO 80220 USA. [McConnell, Michelle; Nolan, Monica; Taylor, Allan W.] Ctr Dis Control & Prevent, Atlanta, GA 30333 USA. [Guay, Laura A.; Matovu, Flavia; Fowler, Mary Glenn] Johns Hopkins Univ, Makerere Univ, Kampala, Uganda. [Leitner, Thomas K.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Janoff, EN (reprint author), Univ Colorado Denver, MAVRC, Box B-168,12700 E 19th Ave, Aurora, CO 80045 USA. EM Edward.Janoff@ucdenver.edu FU NIH [R01-HD059527, R01-AI41361, R01 AI097265]; United States Centers for Disease Control; Elisabeth Glaser Pediatric AIDS Foundation (EGPAF) [MV00- 9-900-01432-0-00]; University of Colorado Denver's Office of Interdisciplinary Women's Health Research Grant; Mucosal and Vaccine Research Colorado Program (MAVRC); University of Colorado Cancer Center DNA Sequencing and Analysis Core [P30 CA046934] FX This work supported by NIH R01-HD059527, R01-AI41361, R01 AI097265, the United States Centers for Disease Control (CDC; " Pathobiology of Breast Milk among HIV-1 infected Ugandan women receiving intrapartum nevirapine" study), the Elisabeth Glaser Pediatric AIDS Foundation (EGPAF) MV00- 9-900-01432-0-00, University of Colorado Denver's Office of Interdisciplinary Women's Health Research Grant, the Mucosal and Vaccine Research Colorado Program (MAVRC) and the University of Colorado Cancer Center DNA Sequencing and Analysis Core (Grant # P30 CA046934). The findings and conclusions in this article are those of the authors and do not necessarily represent the views of the United States Centers for Disease Control and Prevention. We thank Jacinta Cooper for technical support and advice and the women in Kampala, Uganda for their participation. NR 52 TC 1 Z9 1 U1 1 U2 3 PU W B SAUNDERS CO LTD PI LONDON PA 32 JAMESTOWN RD, LONDON NW1 7BY, ENGLAND SN 0163-4453 EI 1532-2742 J9 J INFECTION JI J. Infect. PD MAR PY 2014 VL 68 IS 3 BP 264 EP 272 DI 10.1016/j.jinf.2013.11.002 PG 9 WC Infectious Diseases SC Infectious Diseases GA AB3TC UT WOS:000331712100008 PM 24239588 ER PT J AU Oliveira, L Hitchcock, D Behlow, H Podila, R Skove, MJ Serkiz, SM Rao, AM AF Oliveira, L. Hitchcock, D. Behlow, H. Podila, R. Skove, M. J. Serkiz, S. M. Rao, A. M. TI Second- and Third-Order Elastic Constants of Filaments of HexTow((R)) IM7 Carbon Fiber SO JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE LA English DT Article DE carbon fibers; high-order elastic constant; nonlinear mechanical behavior ID MECHANICAL-PROPERTIES; COMBINATIONS; RESISTANCE; FIBRES; STABILIZATION; COMPOSITES; STRAIN AB Single filaments of HexTow(A (R)) IM7-12K carbon fiber were subjected to tensile measurements on a device which applies a known stress sigma, and measures the resulting strain epsilon, and the change in resistivity Delta rho. Young's modulus E, the resistivity rho, the piezoresistivity Delta rho/rho epsilon, and the nonlinearity in the stress-strain relation delta, were determined to be 264.1 +/- A 16.0 GPa, 1.5 +/- A 0.1 x 10(-3) Omega cm, 1.3 +/- A 0.1, and -4.96 +/- A 0.23, respectively. The values obtained for Young's modulus and the resistivity of the fiber are in reasonable agreement with the values reported by the manufacturer. To the best of our knowledge, this is the first report of a measurement of a third-order elastic constant of a single filament of HexTow(A (R)) IM7-12K. Given the high elastic strains attainable in these fibers and the negative value of delta, the usual calculation of E from a linear fit to the stress-strain data leads to an incorrect higher value of E. According to the accepted thermodynamic definition of the elastic constants, one must use the initial slope of the stress-strain curve to evaluate E. We also observed that the glue used to secure the fiber has an influence on the apparent modulus of the fiber. C1 [Oliveira, L.] Clemson Univ, Sch Mat Sci & Engn, Clemson, SC 29634 USA. [Hitchcock, D.; Behlow, H.; Podila, R.; Skove, M. J.; Rao, A. M.] Clemson Univ, Dept Phys & Astron, COMSET, Clemson, SC 29634 USA. [Serkiz, S. M.] Savannah River Natl Lab, Natl & Homeland Secur Directorate, Aiken, SC 29808 USA. RP Skove, MJ (reprint author), Clemson Univ, Dept Phys & Astron, COMSET, Clemson, SC 29634 USA. EM mskove@g.clemson.edu; arao@clemson.edu OI Podila, Ramakrishna/0000-0003-0472-2361 NR 44 TC 2 Z9 2 U1 2 U2 19 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1059-9495 EI 1544-1024 J9 J MATER ENG PERFORM JI J. Mater. Eng. Perform. PD MAR PY 2014 VL 23 IS 3 BP 685 EP 692 DI 10.1007/s11665-013-0826-2 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA AB2ZA UT WOS:000331659700001 ER PT J AU Kafka, OL Ingraham, MD Morrison, DJ Issen, KA AF Kafka, O. L. Ingraham, M. D. Morrison, D. J. Issen, K. A. TI Characterization of Fatigue Fractures in Closed-Cell Aluminum Foam Using x-ray Micro-Computed Tomography SO JOURNAL OF MATERIALS ENGINEERING AND PERFORMANCE LA English DT Article DE aluminum; cellular material; failure analysis; fatigue; three-dimensional tomography ID DEFORMATION AB A post-mortem study of Alporas closed-cell aluminum foam specimens previously failed under strain-controlled fully reversed tension-compression fatigue was conducted using x-ray micro-computed tomography (mu CT). Volumetric renders of the 3D structure of the material were produced. Fractures were identified and marked throughout voxel-based images of the specimens. This produced a 3D plot of fracture locations. At high strain amplitudes (0.175-0.5%), fractures formed an interconnected planar zone oriented approximately perpendicular to the loading axis; typically, the angle of the plane differed from that of a tension failure. Conversely, at low strain amplitudes (0.05-0.1%), short fractures have been formed diffusely within the specimen. In both cases, observed fractures were tortuous. Our previous work with surface strain mapping via digital image correlation (DIC) suggested that for all strain amplitudes, a crack, evidenced by a zone of high extensile strain, was formed and propagated through the material. This result was confirmed at high strain amplitudes, but not at low strain amplitudes. The discrepancy is attributed to three potential causes. Using DIC, short cracks cannot be accurately resolved with relatively coarse light intensity patterns. DIC images indicate fractures under load, while mu CT imaging was conducted under zero load. Finally, the localized extension seen in DIC images could be attributed to strain with no resultant fractures. C1 [Kafka, O. L.; Ingraham, M. D.; Morrison, D. J.; Issen, K. A.] Clarkson Univ, Potsdam, NY 13699 USA. [Ingraham, M. D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Kafka, OL (reprint author), Clarkson Univ, 8 Clarkson Ave, Potsdam, NY 13699 USA. EM kafkaol@clarkson.edu; issenka@clarkson.edu OI Ingraham, Mathew/0000-0001-9149-0460 FU National Science Foundation [CMS-9512140, CMMI-0923123, CMS-0422045] FX Financial support was provided by the National Science Foundation for mechanical testing facilities (award CMS-9512140), micro-computed tomography instrument (award CMMI-0923123), and materials (award CMS-0422045). NR 16 TC 1 Z9 1 U1 5 U2 15 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1059-9495 EI 1544-1024 J9 J MATER ENG PERFORM JI J. Mater. Eng. Perform. PD MAR PY 2014 VL 23 IS 3 BP 759 EP 765 DI 10.1007/s11665-013-0850-2 PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA AB2ZA UT WOS:000331659700010 ER PT J AU Robles-Aguila, MJ Perez, KS Stojanoff, V Juarez-Santiesteban, H Silva-Gonzalez, R Moreno, A AF Robles-Aguila, M. J. Perez, K. S. Stojanoff, V. Juarez-Santiesteban, H. Silva-Gonzalez, R. Moreno, A. TI Design of molecular devices based on metalloproteins: a new approach SO JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS LA English DT Article ID ENHANCED RAMAN-SPECTROSCOPY; POROUS SILICON; CYTOCHROME-C; THIN-FILMS; SURFACE; AZURIN; ELLIPSOMETRY; PHOTOLUMINESCENCE; IMMOBILIZATION; CELLS AB In this study, cytochrome c and azurin proteins were immobilized onto a porous silicon (PS) surface using the self-assembly technique. The heterostructures were maintained at ambient conditions for several days. Experimental results showed long term stability of proteins in solid state working as electron-transfer devices. Atomic force microscopy showed similar roughness of the surface for both protein heterostructures (14.5 and 11.3 nm, respectively) and globular morphology. Analysis of samples, using scanning electron microscopy, revealed a porous surface of 20-24 nm, whereas cross-section indicated a thickness between 3.6 and 3.8 mu m. The fluorescence peak at room temperature, corresponding to blue emission, was observed at 362-550 nm. This is due to the quantum confinement effect through the silicon. Raman measurement showed one Raman's peak, confirming that the prepared sample retained the crystallinity of bulk silicon; immobilization of proteins produced loss of crystallinity. Reflection spectra revealed the PS, changes in the refractive index profile at the interface of the PS, and the modified surface. C1 [Robles-Aguila, M. J.; Moreno, A.] Univ Nacl Autonoma Mexico, Inst Quim, CU, Mexico City 04510, DF, Mexico. [Perez, K. S.; Silva-Gonzalez, R.] Benemerita Univ Auto noma Puebla, Inst Fis, Puebla 72570, Pue, Mexico. [Stojanoff, V.] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Juarez-Santiesteban, H.] Benemerita Univ Autonoma Puebla, CIDS ICUAP, Puebla 72570, Pue, Mexico. RP Moreno, A (reprint author), Univ Nacl Autonoma Mexico, Inst Quim, CU, Mexico City 04510, DF, Mexico. EM carcamo@unam.mx FU Mexican Softmater Network (CONACyT); CONACYT [175924, 163153, MOD-ORD-14-11 PCI-648-0312]; DOE [GM-0080, DE-AC02-98CH10886] FX M.J. R-Athanks for the support and sponsorship as a postdosctoral given by the Mexican Softmater Network (CONACyT). The kind assistance or Dr. A. Mendez-Blas (Laboratory Electrochemical Process) and M.C Laura Serrano (Central Laboratory IFUAP) is higly appreciated. The authors A. M. and R. S. G. gratefully acknowledge financial support from CONACYT Projects Nos. 175924 and 163153, respectively. Preliminary X-ray diffraction experiments were carried out at the National Synchrotron Light Source supported by the NIGMS and DOE under contracts GM-0080 and DE-AC02-98CH10886. The authors acknowledge the TXM picture carried out at the National Synchrotron Light Source by Yu-Chen Karen Chen-Wiegert performed on beamline X8C, Brookhaven National Laboratory. The support from CONACYT MOD-ORD-14-11 PCI-648-0312 is also appreciated. NR 35 TC 0 Z9 0 U1 2 U2 14 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0957-4522 EI 1573-482X J9 J MATER SCI-MATER EL JI J. Mater. Sci.-Mater. Electron. PD MAR PY 2014 VL 25 IS 3 BP 1354 EP 1360 DI 10.1007/s10854-014-1734-4 PG 7 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Engineering; Materials Science; Physics GA AB4EV UT WOS:000331743200034 ER PT J AU Ozga, K Fedorchuk, AO Lakshminarayana, G AF Ozga, K. Fedorchuk, A. O. Lakshminarayana, G. TI Light operated electrooptical materials based on the [(C2H5)(3)NH](2)CuCl4/polymer nanocomposites SO JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS LA English DT Article ID PHASE-TRANSITIONS; TEMPERATURE PHASE; DERIVATIVES; SUSCEPTIBILITIES; CRYSTALS; COMPLEX AB In this work, we proposed a new type of nanocomposite materials which possess a possibility to be operated with respect to the electrooptical coefficients at 633 nm wavelength. The material is a [(C2H5)(3)NH](2)CuCl4/PMMA polymethylmethacrylate polymer nanocomposite. The operation is performed by external laser light at varied temperatures. The second harmonic generation of the Nd:YAG 532 nm pulsed laser with pulse duration 10 ns was used as a source of the photo-induced changes. At temperature about 320 K an enhancement of corresponding electrooptical response was observed. The effect was sensitive to the size of the corresponding nanocrystallites and the crystallite size was within the range 30-320 nm. The optimal content of the nanocrystallites is 12 % in weighting units. C1 [Ozga, K.] Czestochowa Tech Univ, Fac Elect Engn, PL-42200 Czestochowa, Poland. [Fedorchuk, A. O.] Lviv Natl Univ Vet Med & Biotechnol, Dept Inorgan & Organ Chem, UA-79010 Lvov, Ukraine. [Fedorchuk, A. O.] Ukrainian Acad Sci, Dept Physicochem Combustible Minerals, UA-79053 Lvov, Ukraine. [Lakshminarayana, G.] Los Alamos Natl Lab, Mat Sci & Technol Div MST 7, Los Alamos, NM 87545 USA. RP Fedorchuk, AO (reprint author), Lviv Natl Univ Vet Med & Biotechnol, Dept Inorgan & Organ Chem, Pekarska St 50, UA-79010 Lvov, Ukraine. EM ft.1958@yahoo.co.uk FU Ministry of Science and Higher Education [IP2011 039671] FX This work was performed within a framework of National Grant and the authors wish to thank the Ministry of Science and Higher Education (Grants No. IP2011 039671) for financial support. NR 24 TC 0 Z9 0 U1 1 U2 11 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0957-4522 EI 1573-482X J9 J MATER SCI-MATER EL JI J. Mater. Sci.-Mater. Electron. PD MAR PY 2014 VL 25 IS 3 BP 1460 EP 1465 DI 10.1007/s10854-014-1752-2 PG 6 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Engineering; Materials Science; Physics GA AB4EV UT WOS:000331743200051 ER PT J AU Kim, DH Tamada, Y Ono, T Bader, SD Rozhkova, EA Novosad, V AF Kim, Dong-Hyun Tamada, Yoshinori Ono, Teruo Bader, Samuel D. Rozhkova, Elena A. Novosad, Valentyn TI The Effect of Ligands on FePt-Fe3O4 Core-Shell Magnetic Nanoparticles SO JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY LA English DT Article DE Magnetic Nanoparticles; Surface Functionalization; 3,4-Dihydroxyphenylacetic Acid (DOPAC); Dimercaptosuccinic Acid (DMSA); FePt; Fe3O4 ID OXIDE NANOPARTICLES; FEPT NANOPARTICLES; CONTRAST AGENTS; MRI CONTRAST; DELIVERY; HYPERTHERMIA; SIZE AB FePt-Fe3O4 core-shell nanoparticles functionalized with 3,4-dihydroxyphenylacetic acid (DOPAC) and dimercaptosuccinic acid (DMSA) ligands were synthesized and characterized. We found that the DOPAC ligand enhances the magnetic properties of the FePt-Fe3O4 particles, in comparison with the DMSA ligand, which induces the oxidation of the shell layer that causes a significant reduction of the saturation magnetization. The synthesized magnetic nanoparticles were evaluated for applications in magnetic hyperthermia and magnetic resonance imaging contrast enhancement. C1 [Kim, Dong-Hyun; Bader, Samuel D.; Novosad, Valentyn] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Tamada, Yoshinori; Ono, Teruo] Kyoto Univ, Inst Chem Res, Uji 6110011, Japan. [Bader, Samuel D.; Rozhkova, Elena A.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Rozhkova, EA (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Novosad, V /J-4843-2015; OI Kim, Dong-Hyun/0000-0001-6815-3319 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX 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. 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. The U. S. Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. NR 23 TC 2 Z9 2 U1 1 U2 31 PU AMER SCIENTIFIC PUBLISHERS PI VALENCIA PA 26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA SN 1533-4880 EI 1533-4899 J9 J NANOSCI NANOTECHNO JI J. Nanosci. Nanotechnol. PD MAR PY 2014 VL 14 IS 3 BP 2648 EP 2652 DI 10.1166/jnn.2014.8471 PG 5 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA AB2LR UT WOS:000331624700075 PM 24745278 ER PT J AU Ramanathan, M Kilbey, SM Darling, SB AF Ramanathan, Muruganathan Kilbey, S. Michael, II Darling, Seth B. TI Process-Controlled Multiscale Morphologies in Metal-Containing Block Copolymer Thin Films SO JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY LA English DT Article DE Block Copolymer; Self-Assembly; Hybrid Annealing; Metal-Containing Polymer ID SEQUENTIAL INFILTRATION SYNTHESIS; DIBLOCK COPOLYMERS; LITHOGRAPHY; FABRICATION; TEMPLATES; DOMAINS; ARRAYS; ROUTE AB Poly(styrene-block-ferrocenyldimethylsilane) (PS-b-PFS) is a metal-containing block copolymer that exhibits certain advantages as a scaffold for nanoporous membranes and as a mask for lithographic applications. These advantages include compatibility with a wide range of substrates, ease of control over domain morphologies and remarkable stability, which aid in the development of robust nanoporous networks or high-aspect-ratio patterns. An asymmetric cylinder-forming PS-b-PFS copolymer is subjected to different processing to manipulate the morphology of the phase-separated domains. Control of film structure and domain morphology is achieved by adjusting the film thickness, mode of annealing, and/or annealing time. Changing the process from thermal or solvent annealing to hybrid annealing (thermal and then solvent annealing in sequence) leads to the formation of mesoscale spherulitic and dendritic morphologies. In this communication, we show that reversing the order of the hybrid annealing (solvent annealing first and then thermal annealing) of relatively thick films (> 100 nm) on homogeneously thick substrates develops a discontinuous lamellar structure. Furthermore, the same processing applied on a substrate with a thin, mechanically flexible window in the center leads to the formation of sub-micron scale concentric ring patterns. Enhanced material mobility in the thick film during hybrid annealing along with dynamic rippling effects that may arise from the vibration of the thin window during spin casting are likely causes for these morphologies. C1 [Ramanathan, Muruganathan; Kilbey, S. Michael, II] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Kilbey, S. Michael, II] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Darling, Seth B.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Darling, Seth B.] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. RP Ramanathan, M (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. FU Center for Nanophase Materials Sciences; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; Center for Nanoscale Materials, a U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility [DE-AC02-06CH11357] FX Partial support from 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 is greatly acknowledged. This work was performed in part at the Center for Nanoscale Materials, a U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences User Facility under Contract No. DE-AC02-06CH11357. NR 40 TC 0 Z9 0 U1 2 U2 26 PU AMER SCIENTIFIC PUBLISHERS PI VALENCIA PA 26650 THE OLD RD, STE 208, VALENCIA, CA 91381-0751 USA SN 1533-4880 EI 1533-4899 J9 J NANOSCI NANOTECHNO JI J. Nanosci. Nanotechnol. PD MAR PY 2014 VL 14 IS 3 BP 2653 EP 2657 DI 10.1166/jnn.2014.8481 PG 5 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA AB2LR UT WOS:000331624700076 PM 24745279 ER PT J AU Jiang, H Wang, JAJ AF Jiang, Hao Wang, Jy-An John TI Methodology for mechanical property testing of fuel cladding using an expanding plug wedge test SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article AB An analysis is presented to determine the stress-strain response of ring-shaped test specimen subjected to internal pressurization using a radially expanding plug. Previous work has been reviewed using this test method to determine the residual ductility of irradiated nuclear fuel cladding and highlight the role of several parameters on the distribution of stresses and the mode of failure. It is shown that bulging effect, which had previously not been accounted for, has a significant effect on the distribution of stresses and mode of failure. The new analysis provides guidelines for optimizing specimen geometry and loading conditions and a means for determining the hoop stress sigma(0) in the ring-shaped test specimen using a scaling factor, chi-factor, to convert the ring load F-ring into hoop stress sigma(0), and is written as sigma(0) = chi F-ring/tl, where t is the clad thickness and l is the clad length. The predicted stress-strain curves were found to agree well with experimental results for alloy Zr-4 over 10% strain. (C) 2013 Elsevier B.V. All rights reserved. C1 [Jiang, Hao; Wang, Jy-An John] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Wang, JAJ (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, One Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM wangja@ornl.gov OI Wang, Jy-An/0000-0003-2402-3832 FU Fuel Qualification Program of the US Department of Energy; Oak Ridge National Laboratory [DE-AC05-00OR22725]; UT-Battelle, LLC FX This research was sponsored by the Fuel Qualification Program of the US Department of Energy and was carried out at Oak Ridge National Laboratory under contract DE-AC05-00OR22725 with UT-Battelle, LLC. NR 10 TC 3 Z9 3 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD MAR PY 2014 VL 446 IS 1-3 BP 27 EP 37 DI 10.1016/j.jnucmat.2013.11.026 PG 11 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AB2ZZ UT WOS:000331662400004 ER PT J AU Thompson, AE Meredig, B Stan, M Wolverton, C AF Thompson, Alexander E. Meredig, Bryce Stan, Marius Wolverton, C. TI Interatomic potential for accurate phonons and defects in UO2 SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; URANIUM-DIOXIDE; THERMOPHYSICAL PROPERTIES; THERMAL-PROPERTIES; NUCLEAR-FUELS; DIFFUSION; LATTICE; 1ST-PRINCIPLES AB We have developed an improved uranium dioxide interatomic potential by fitting to forces, energies, and stresses of first principles molecular dynamics calculations via a genetic algorithm approach called Iterative Potential Refinement (IPR). We compare the defect energetics and vibrational properties of the IPR-fit potential with other interatomic potentials, density functional theory calculations, and experimental phonon dispersions. We find that among previously published potentials examined, there is no potential that simultaneously yields accurate defect energetics and accurate vibrational properties. In contrast, our IPR-fit potential produces both accurate defects and the best agreement with the experimental phonon dispersion and phonon density of states. This combination of accurate properties makes this IPR-fit potential useful for simulating UO2 in high temperature, defect-rich environments typical for nuclear fuel. Additionally, we verify that density functional theory with a Hubbard U correction accurately reproduces the experimentally derived UO2 phonon density of states. (C) 2013 Elsevier B.V. All rights reserved. C1 [Thompson, Alexander E.; Meredig, Bryce; Wolverton, C.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Stan, Marius] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. RP Wolverton, C (reprint author), Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. EM c-wolverton@northwestern.edu RI Wolverton, Christopher/B-7542-2009 NR 61 TC 6 Z9 6 U1 3 U2 29 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD MAR PY 2014 VL 446 IS 1-3 BP 155 EP 162 DI 10.1016/j.jnucmat.2013.11.040 PG 8 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AB2ZZ UT WOS:000331662400021 ER PT J AU Xiao, HY Weber, WJ Zhang, Y AF Xiao, H. Y. Weber, W. J. Zhang, Y. TI First-principles study of the stability and migration of Kr, I and Xe in ZrO2 SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID URANIUM-DIOXIDE; DIFFUSION; ZIRCONIA; ADSORPTION; BEHAVIOR; CESIUM; BULK; TEMPERATURE; RH(111); SURFACE AB The stability and migration of Kr, I and Xe in bulk ZrO2 and on the ZrO2 (111) surface have been studied by standard density functional theory (DFT) and the DFT-D2 method that corrects for the van der Waals interaction. Both methods show that Kr and Xe prefer to incorporate in the bulk phase rather than adsorb on the surface, and Xe is very mobile in the bulk state. For Kr and Xe adsorption on the surface, van der Waals interaction dominates, causing the weak interaction between the adsorbate and substrate. Iodine is found to have comparable stability in both phases and forms < I-O > bonds with strong covalency. It exhibits higher mobility on the surface than in the bulk ZrO2, and diffusion from bulk-like state to surface state is an exothermic process. The fission product behavior in ZrO2 is shown to be a complicated synergetic effect of fission product atomic size, electron negativity, occupation site and phase structure of the host. (C) 2013 Elsevier B.V. All rights reserved. C1 [Xiao, H. Y.; Weber, W. J.; Zhang, Y.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Weber, W. J.; Zhang, Y.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Xiao, HY (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM hxiao@utk.edu RI Weber, William/A-4177-2008 OI Weber, William/0000-0002-9017-7365 FU DOE Office of Nuclear Energy's Nuclear Energy University Programs FX This research is being performed using funding received from the DOE Office of Nuclear Energy's Nuclear Energy University Programs. The theoretical calculations were performed using the supercomputer resources at the Environmental Molecular Sciences Laboratory located at Pacific Northwest National Laboratory, and the National Energy Research Scientific Computing Center located at Lawrence Berkeley National Laboratory. NR 37 TC 0 Z9 0 U1 2 U2 34 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD MAR PY 2014 VL 446 IS 1-3 BP 172 EP 177 DI 10.1016/j.jnucmat.2013.11.044 PG 6 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AB2ZZ UT WOS:000331662400023 ER PT J AU van Rooyen, IJ Lillo, TM Wu, YQ AF van Rooyen, I. J. Lillo, T. M. Wu, Y. Q. TI Identification of silver and palladium in irradiated TRISO coated particles of the AGR-1 experiment SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID SILICON-CARBIDE; FUEL-PARTICLES; DIFFUSION; BEHAVIOR; RELEASE AB Evidence of the release of certain metallic fission products through intact tristructural isotropic (TRISO) particles has been seen for decades around the world, as well as in the recent AGR-1 experiment at the Idaho National Laboratory (INL). However, understanding the basic mechanism of transport is still lacking. This understanding is important because the TRISO coating is part of the high temperature gas-cooled reactor functional containment and critical for the safety strategy for licensing purposes. Our approach to identify fission products in irradiated AGR-1 TRISO fuel using scanning transmission electron microscopy (STEM), electron energy loss spectroscopy (EELS) and energy filtered TEM (EFTEM), has led to first-of-a-kind data at the nano-scale indicating the presence of silver at triple-points and grain boundaries of the SiC layer in the TRISO particle. Cadmium was also found in the triple junctions. In this initial study, the silver was only identified in SiC grain boundaries and triple points on the edge of the SiC-IPyC interface up to a depth of approximately 0.5 mu m. Palladium was identified as the main constituent of micron-sized precipitates present at the SiC grain boundaries. Additionally spherical nano-sized palladium rich precipitates were found inside the SiC grains. No silver was found in the center of the micron-sized fission product precipitates using these techniques, although silver was found on the outer edge of one of the Pd-U-Si containing precipitates which was facing the IPyC layer. Only Pd-U containing precipitates were identified in the IPyC layer and no silver was identified in the IPyC layer. The identification of silver alongside the SiC grain boundaries and the findings of Pd inside the SiC grains and alongside SiC grain boundaries provide important information needed to understand silver and palladium transport in TRISO fuel, which has been the topic of international research for the past forty years. The findings reported in this paper may support the postulations of recent research that Ag transport may be driven by grain boundary diffusion. However, more work is needed to fully understand the transport mechanisms. Additionally, the usefulness of the advanced electron microscopic techniques for TRISO coated particle research is demonstrated in this paper. Published by Elsevier B.V. C1 [van Rooyen, I. J.] Idaho Natl Lab, Fuel Performance & Design Dept, Idaho Falls, ID 83415 USA. [Lillo, T. M.] Idaho Natl Lab, Dept Mat Sci & Engn, Idaho Falls, ID 83415 USA. [Wu, Y. Q.] Boise State Univ, Dept Mat Sci & Engn, Boise, ID 83725 USA. [Wu, Y. Q.] Ctr Adv Energy Studies, Idaho Falls, ID 83401 USA. RP van Rooyen, IJ (reprint author), Idaho Natl Lab, Fuel Performance & Design Dept, Idaho Falls, ID 83415 USA. EM Isabella.vanRooyen@inl.gov RI Lilllo, Thomas/S-5031-2016 OI Lilllo, Thomas/0000-0002-7572-7883 FU U.S. Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office [DE-AC07-05ID14517] FX This work was sponsored by the U.S. Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office Contract DE-AC07-05ID14517. James Madden is acknowledged for the FIB sample preparation. David Petti, James Cole and Paul Demkowicz are thanked for the review of this document. NR 19 TC 17 Z9 17 U1 1 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD MAR PY 2014 VL 446 IS 1-3 BP 178 EP 186 DI 10.1016/j.jnucmat.2013.11.028 PG 9 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AB2ZZ UT WOS:000331662400024 ER PT J AU Gussev, MN Field, KG Busby, JT AF Gussev, M. N. Field, K. G. Busby, J. T. TI Strain-induced phase transformation at the surface of an AISI-304 stainless steel irradiated to 4.4 dpa and deformed to 0.8% strain SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID STRESS-CORROSION CRACKING; INDUCED MARTENSITE; GRAIN-BOUNDARIES; DEFORMATION; EVOLUTION; TEM AB Surface relief due to localized deformation in a 4.4-dpa neutron-irradiated AISI 304 stainless steel was investigated using scanning electron microscopy coupled with electron backscattering diffraction and scanning transmission electron microscopy. It was found a body-centered-cubic (BCC) phase (deformation-induced martensite) had formed at the surface of the deformed specimen along the steps generated from dislocation channels. Martensitic hill-like formations with widths of similar to 1 mu m and depths of several microns were observed at channels with heights greater than similar to 150 nm above the original surface. Martensite at dislocation channels was observed in grains along the [001]-[111] orientation but not in those along the [101] orientation. (C) 2013 Elsevier B.V. All rights reserved. C1 [Gussev, M. N.; Field, K. G.; Busby, J. T.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Gussev, MN (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd,POB 2008,MS-6151, Oak Ridge, TN 37831 USA. EM gussevmn@ornl.gov RI Field, Kevin/K-1942-2013 OI Field, Kevin/0000-0002-3105-076X FU U.S. Department of Energy, Office of Nuclear Energy, for the Light Water Reactor Sustainability Research and Development Effort; ORNL's Center for Nanophase Materials Sciences (CNMS); Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; U.S. Department of Energy [DE-AC05-00OR22725] FX This research supported by the U.S. Department of Energy, Office of Nuclear Energy, for the Light Water Reactor Sustainability Research and Development Effort, 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. Department of Energy. The authors would like to thank Dr. G.S. Was and K.J. Stephenson (University of Michigan) for help with laser confocal measurements, Dr. C.M. Parish (ORNL) for the fruitful discussion of EBSD results, and D.P. Stevens (ORNL) for valuable help with manuscript preparation.; This manuscript has been authored by the Oak Ridge National Laboratory, managed by UT-Battelle LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The U.S. Government retains and the publisher, by accepting the article for publication,. acknowledges that the U.S. Government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for U.S. Government purposes. NR 25 TC 6 Z9 7 U1 0 U2 20 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD MAR PY 2014 VL 446 IS 1-3 BP 187 EP 192 DI 10.1016/j.jnucmat.2013.11.041 PG 6 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AB2ZZ UT WOS:000331662400025 ER PT J AU Zheng, GQ Xu, P Sridharan, K Allen, T AF Zheng, Guiqiu Xu, Peng Sridharan, Kumar Allen, Todd TI Characterization of structural defects in nuclear graphite IG-110 and NBG-18 SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID X-RAY-DIFFRACTION; RAMAN-SPECTROSCOPY; GRADE GRAPHITE; MICROSTRUCTURAL CHARACTERIZATION; NEUTRON-IRRADIATION; PORE STRUCTURE; DAMAGE; OXIDATION; DISORDER; CARBON AB Nuclear graphite IG-110 and NBC-18 were examined using X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscope (SEM) and high resolution transmission electron microscope (HR-TEM) to understand the structure and microstructure of nuclear graphite. The lattice parameter (a), degree of graphitization ((g) over bar), crystallite size parallel and perpendicular to c-direction (L-c and L-perpendicular to), anisotropy (B), as well as in-plane crystallite size (L-a) were calculated and compared based on XRD patterns and Raman spectra. Results indicate that IG-110 has a larger crystallite size and higher degree of graphitization, but lower anisotropy than NBC-18. These differences are attributed to the properties of coke source and manufacturing processes. Additionally, the shape of the pores and crystallized filler particles, the interface between binders and fillers, Mrozowski cracks and nano-cracks, and the defects of disclination were observed and characterized from SEM and HR-TEM images. The similarities and differences in microstructure between IG-110 and NBG-18 are discussed. The results in this work provide useful information to guide selection of nuclear graphite for the design of next generation nuclear plants (NGNP). (C) 2013 Elsevier B.V. All rights reserved. C1 [Zheng, Guiqiu; Sridharan, Kumar] Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. [Xu, Peng] Westinghouse Elect Co, Columbia, SC 29209 USA. [Allen, Todd] Idaho Natl Lab, Idaho Falls, ID 83402 USA. RP Zheng, GQ (reprint author), Univ Wisconsin, Dept Engn Phys, Madison, WI 53706 USA. EM guiqiuzheng@gmail.com RI Zheng, Guiqiu/G-7548-2015; OI Zheng, Guiqiu/0000-0002-5783-5848; Allen, Todd/0000-0002-2372-7259 NR 45 TC 5 Z9 5 U1 4 U2 33 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD MAR PY 2014 VL 446 IS 1-3 BP 193 EP 199 DI 10.1016/j.jnucmat.2013.12.013 PG 7 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AB2ZZ UT WOS:000331662400026 ER PT J AU Cantrell, KJ Um, W Williams, BD Bowden, ME Gartman, B Lukens, WW Buck, EC Mausolf, EJ AF Cantrell, Kirk J. Um, Wooyong Williams, Benjamin D. Bowden, Mark E. Gartman, Brandy Lukens, Wayne W. Buck, Edgar C. Mausolf, Edward J. TI Chemical stabilization of Hanford tank residual waste SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID URANYL OXIDE HYDRATE; SOLUBILITY MEASUREMENTS; RELEASE MODELS; BECQUERELITE; 241-C-204; CARBONATE; PHOSPHATE; IFEFFIT; PHASES; U(VI) AB Three different chemical treatment methods were tested for their ability to stabilize residual waste from Hanford tank C-202 for reducing contaminant release (Tc, Cr, and U in particular). The three treatment methods tested were lime addition [Ca(OH)(2)], an in situ Ceramicrete waste form based on chemically bonded phosphate ceramics, and a ferrous iron/goethite treatment. These approaches rely on formation of insoluble forms of the contaminants of concern (lime addition and Ceramicrete) and chemical reduction followed by co-precipitation (ferrous iron/goethite incorporation treatment). The results have demonstrated that release of uranium from tank residual wastes can be dramatically reduced after treatment compared to contact with simulated grout porewater without treatment. All three treatments methods reduced the leachable uranium concentrations by well over three orders of magnitude. In the case of uranium and technetium, released concentrations were well below their respective Maximum Contaminant Levels (MCLs) for the wastes tested. For tank C-202 residual waste, chromium release concentrations were above the MCL but were considerably reduced relative to untreated tank waste. This innovative approach has the potential to revolutionize Hanford's tank retrieval process, by allowing larger volumes of residual waste to be left in tanks while providing an acceptably low level of risk with respect to contaminant release that is protective of the environment and human health. Such an approach could enable DOE to realize significant cost savings through streamlined retrieval and closure operations. (C) 2013 Elsevier B.V. All rights reserved. C1 [Cantrell, Kirk J.; Um, Wooyong; Williams, Benjamin D.; Bowden, Mark E.; Gartman, Brandy; Buck, Edgar C.; Mausolf, Edward J.] Pacific NW Natl Lab, Richland, WA 99354 USA. [Lukens, Wayne W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Cantrell, KJ (reprint author), Pacific NW Natl Lab, POB 999,Mail Stop P7-54, Richland, WA 99354 USA. EM kirk.cantrell@pnnl.gov RI Buck, Edgar/N-7820-2013 OI Buck, Edgar/0000-0001-5101-9084 FU Laboratory Directed Research and Development program within the Pacific Northwest National Laboratory (PNNL); DOE by Battelle Memorial Institute [DE-AC05-76RL01830] FX This work was funded by the Laboratory Directed Research and Development program within the Pacific Northwest National Laboratory (PNNL). Part of this research was performed at the W.R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility at PNNL managed by the Department of Energy's Office of Biological and Environmental Research. PNNL is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. NR 34 TC 2 Z9 2 U1 3 U2 30 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 EI 1873-4820 J9 J NUCL MATER JI J. Nucl. Mater. PD MAR PY 2014 VL 446 IS 1-3 BP 246 EP 256 DI 10.1016/j.jnucmat.2013.10.060 PG 11 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA AB2ZZ UT WOS:000331662400033 ER PT J AU Brandao, P dos Santos, AM Paixao, LS Reis, MS AF Brandao, P. dos Santos, A. M. Paixao, L. S. Reis, M. S. TI Synthesis, characterization and magnetic properties of a manganese (II) silicate containing frustrated S=5/2 zig-zag ladders SO JOURNAL OF SOLID STATE CHEMISTRY LA English DT Article DE Hydrothermal synthesis; Serandite mineral; Manganese silicate; Magnetic chain ID CRYSTAL-CHEMISTRY; TRANSITION; SERANDITE; PECTOLITE; DIFFRACTION; CUGEO3; SERIES; SYSTEM; MN; CU AB The hydrothermal synthesis, structural characterization and magnetic properties of a manganese silicate with ideal formula of NaMn2Si3O8(OH) is reported. This compound is a synthetic analog to the naturally occurring mineral Serandite. The crystal structure comprises MnO6 octahedra and SiO4 tetrahedra. The MnO6 share four edges with neighboring octahedra forming double chains. These chains are connected by silicate chains Si3O8(OH) resulting in an open framework structure with six-member ring channels where sodium ions are located. From the magnetic point of view, the intra-chain exchange between neighboring S=5/2 manganese ions is weak, partly due to the distortion observed in the octahedra, but also due to the frustrated topology of the chain. A successful fitting of the magnetic susceptibility was obtained by considering a double chain numerical model with Monte Carlo derived empirical parameters. (C) 2013 Elsevier Inc. All rights reserved. C1 [Brandao, P.] Univ Aveiro, Dept Quim, CICECO, P-3810193 Aveiro, Portugal. [dos Santos, A. M.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Neutron Sci Directorate, Oak Ridge, TN 37831 USA. [Paixao, L. S.; Reis, M. S.] Univ Fed Fluminense, Inst Fis, BR-24210346 Niteroi, RJ, Brazil. RP Brandao, P (reprint author), Univ Aveiro, Dept Quim, CICECO, P-3810193 Aveiro, Portugal. EM pbrandao@ua.pt RI Brandao, Paula/J-3759-2013; dos Santos, Antonio/A-5602-2016; Paixao, Lucas/D-4072-2016 OI Brandao, Paula/0000-0002-4746-6073; dos Santos, Antonio/0000-0001-6900-0816; Paixao, Lucas/0000-0001-5419-4953 FU European Union; QREN; FEDER; COMPETE; FCT; collaboration project FCT/CAPES; CICECO [pEstc/CTM/LA001/2011]; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy; Brazilian agency: CAPES; Brazilian agency: CNPq; Brazilian agency: FAPERJ; Brazilian agency: PROPPi-UFF FX The authors acknowledge European Union, QREN, FEDER, COMPETE, FCT, collaboration project FCT/CAPES and CICECO (pEstc/CTM/LA001/2011 for financial support). M.S.R. acknowledge Brazilian agencies: CAPES, CNPq, FAPERJ and PROPPi-UFF. Research conducted at ORNL's SNS was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. NR 24 TC 0 Z9 0 U1 3 U2 11 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0022-4596 EI 1095-726X J9 J SOLID STATE CHEM JI J. Solid State Chem. PD MAR PY 2014 VL 211 BP 130 EP 135 DI 10.1016/j.jssc.2013.12.013 PG 6 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical SC Chemistry GA AB3JF UT WOS:000331686400019 ER PT J AU Fuchs, MR Pradervand, C Thominet, V Schneider, R Panepucci, E Grunder, M Gabadinho, J Dworkowski, FSN Tomizaki, T Schneider, J Mayer, A Curtin, A Olieric, V Frommherz, U Kotrle, G Welte, J Wang, XY Maag, S Schulze-Briese, C Wang, MT AF Fuchs, Martin R. Pradervand, Claude Thominet, Vincent Schneider, Roman Panepucci, Ezequiel Grunder, Marcel Gabadinho, Jose Dworkowski, Florian S. N. Tomizaki, Takashi Schneider, Joerg Mayer, Aline Curtin, Adrian Olieric, Vincent Frommherz, Uli Kotrle, Goran Welte, Joerg Wang, Xinyu Maag, Stephan Schulze-Briese, Clemens Wang, Meitian TI D3, the new diffractometer for the macromolecular crystallography beamlines of the Swiss Light Source SO JOURNAL OF SYNCHROTRON RADIATION LA English DT Article DE macromolecular crystallography; diffractometer; microspectrophotometer; microcrystallography; beamline endstation ID MICRO-CRYSTALLOGRAPHY; COLD-STREAM; PROTEIN; FLUORESCENCE AB A new diffractometer for microcrystallography has been developed for the three macromolecular crystallography beamlines of the Swiss Light Source. Building upon and critically extending previous developments realised for the high-resolution endstations of the two undulator beamlines X06SA and X10SA, as well as the super-bend dipole beamline X06DA, the new diffractometer was designed to the following core design goals. (i) Redesign of the goniometer to a sub-micrometer peak-to-peak cylinder of confusion for the horizontal single axis. Crystal sizes down to at least 5 mm and advanced sample-rastering and scanning modes are supported. In addition, it can accommodate the new multi-axis goniometer PRIGo (Parallel Robotics Inspired Goniometer). (ii) A rapid-change beam-shaping element system with aperture sizes down to a minimum of 10 mm for microcrystallography measurements. (iii) Integration of the on-axis microspectrophotometer MS3 for microscopic sample imaging with 1 mm image resolution. Its multi-mode optical spectroscopy module is always online and supports in situ UV/Vis absorption, fluorescence and Raman spectroscopy. (iv) High stability of the sample environment by a mineral cast support construction and by close containment of the cryo-stream. Further features are the support for in situ crystallization plate screening and a minimal achievable detector distance of 120 mm for the Pilatus 6M, 2M and the macromolecular crystallography group's planned future area detector Eiger 16M. C1 [Fuchs, Martin R.; Pradervand, Claude; Thominet, Vincent; Schneider, Roman; Panepucci, Ezequiel; Grunder, Marcel; Gabadinho, Jose; Dworkowski, Florian S. N.; Tomizaki, Takashi; Schneider, Joerg; Mayer, Aline; Curtin, Adrian; Olieric, Vincent; Frommherz, Uli; Kotrle, Goran; Welte, Joerg; Wang, Xinyu; Maag, Stephan; Wang, Meitian] Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland. [Fuchs, Martin R.] Brookhaven Natl Lab, NSLS II, Upton, NY 11973 USA. [Schulze-Briese, Clemens] DECTRIS Ltd, CH-5400 Baden, Switzerland. RP Fuchs, MR (reprint author), Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland. EM mfuchs@bnl.gov RI Olieric, Vincent/D-1078-2011; Dworkowski, Florian/D-2807-2011; OI Dworkowski, Florian/0000-0001-5004-8684; Curtin, Adrian/0000-0002-7108-7057 FU Max Planck Society (MPG); Novartis; F. Hoffmann-La Roche FX We thank the X10SA beamline partners, i.e. the Max Planck Society (MPG) and the pharmaceutical companies Novartis and F. Hoffmann-La Roche, for funding and for valuable input and feedback, the PSI manufacturing group, Ludwig Paly and his team, for great support, Johan Wickstrom for helpful input in planning the diffractometer table, the alignment group, Karsten Dreyer and his team, for aligning the system, Elmar Zehnder, Beat Sommer and the electrician team for installing the electrical systems, Max Muller and his team for help with the technical installation, and Faselli Coulibaly for providing microcrystals for testing the microscope. NR 30 TC 7 Z9 7 U1 0 U2 5 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0909-0495 EI 1600-5775 J9 J SYNCHROTRON RADIAT JI J. Synchrot. Radiat. PD MAR PY 2014 VL 21 BP 340 EP 351 DI 10.1107/S160057751400006X PN 2 PG 12 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA AB5OA UT WOS:000331836900006 PM 24562555 ER PT J AU Oliver, BV Oliver, RM AF Oliver, B. V. Oliver, R. M. TI Optimal ROE loan pricing with or without adverse selection SO JOURNAL OF THE OPERATIONAL RESEARCH SOCIETY LA English DT Article DE risk-based pricing; loan pricing; risk scores; response scores; banking; finance AB The authors describe the structural solution of the loan rate as a function of default and response risk that maximizes expected return on equity for a lender's portfolio of risky loans. Under the assumptions of our model, the non-linear differential equation for the optimizing price is found to be separable in transformed financial, response and risk variables. With an end-point condition where default-free borrowers are willing to borrow at loan rates higher than the lender's cost of funds, general solutions are obtained for cases where default probabilities may depend explicitly on the offered loan rate and where adverse selection may or may not be present. For the general solution, we suggest a numerical algorithm that involves the sequential solutions of two separate transcendental equations each one of which depends on parameters of the risk and response scores. For the special case where the borrower's default probability is conditionally independent of loan rate, it is shown that the optimal solution is independent of Basel regulations on equity capital. C1 [Oliver, B. V.] Sandia Corp, Albuquerque, NM USA. [Oliver, R. M.] Univ Calif Berkeley, Berkeley, CA 94707 USA. RP Oliver, RM (reprint author), Univ Calif Berkeley, 260 Southampton Ave, Berkeley, CA 94707 USA. EM bvolive@sandia.gov; oliver@ieor.Berkeley.edu NR 6 TC 1 Z9 1 U1 0 U2 9 PU PALGRAVE MACMILLAN LTD PI BASINGSTOKE PA BRUNEL RD BLDG, HOUNDMILLS, BASINGSTOKE RG21 6XS, HANTS, ENGLAND SN 0160-5682 EI 1476-9360 J9 J OPER RES SOC JI J. Oper. Res. Soc. PD MAR PY 2014 VL 65 IS 3 SI SI BP 435 EP 442 DI 10.1057/jors.2012.87 PG 8 WC Management; Operations Research & Management Science SC Business & Economics; Operations Research & Management Science GA AB2JI UT WOS:000331618600011 ER PT J AU Jouvel, S Abdalla, FB Kirk, D Lahav, O Lin, H Annis, J Kron, R Frieman, JA AF Jouvel, S. Abdalla, F. B. Kirk, D. Lahav, O. Lin, H. Annis, J. Kron, R. Frieman, J. A. TI Optimizing spectroscopic and photometric galaxy surveys: efficient target selection and survey strategy SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE surveys; cosmology: observations ID DARK ENERGY SURVEY; ACOUSTIC-OSCILLATION SURVEYS; WEAK-LENSING TOMOGRAPHY; COSMIC SHEAR; DEEP SURVEY; INTRINSIC ALIGNMENTS; REDSHIFT SURVEY; STAR-FORMATION; SDSS-III; COSMOLOGY AB The next generation of spectroscopic surveys will have a wealth of photometric data available for use in target selection. Selecting the best targets is likely to be one of the most important hurdles in making these spectroscopic campaigns as successful as possible. Our ability to measure dark energy depends strongly on the types of targets that we are able to select with a given photometric data set. We show in this paper that we will be able to successfully select the targets needed for the next generation of spectroscopic surveys. We also investigate the details of this selection, including optimization of instrument design and survey strategy in order to measure dark energy. We use colour-colour selection as well as neural networks to select the best possible emission-line galaxies and luminous red galaxies for a cosmological survey. Using the Fisher matrix formalism, we forecast the efficiency of each target selection scenarios. We show how the dark energy figures of merit change in each target selection regime as a function of target type, survey time, survey density and other survey parameters. We outline the optimal target selection scenarios and survey strategy choices which will be available to the next generation of spectroscopic surveys. C1 [Jouvel, S.] Inst Ciencias Espai IEEC CSIC, E-08193 Bellaterra, Barcelona, Spain. [Jouvel, S.; Abdalla, F. B.; Kirk, D.; Lahav, O.] UCL, Dept Phys & Astron, London WC1E 6BT, England. [Lin, H.; Annis, J.; Kron, R.; Frieman, J. A.] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. [Frieman, J. A.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Frieman, J. A.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. RP Jouvel, S (reprint author), Inst Ciencias Espai IEEC CSIC, E-08193 Bellaterra, Barcelona, Spain. EM jouvel@ice.cat OI Abdalla, Filipe/0000-0003-2063-4345 FU Consolider-Ingenio [CSD2007-00060]; EC Marie Curie Initial Training Network CosmoComp [PITN-GA-2009-238356]; Generalitat de Catalunya [2009-SGR-1398]; Royal Society; [AYA2009-13936] FX The authors thank the DESpec collaboration for their useful discussions which helped develop this work. Funding for this project was partially provided by the Spanish project AYA2009-13936, Consolider-Ingenio CSD2007-00060, EC Marie Curie Initial Training Network CosmoComp (PITN-GA-2009-238356) and research project 2009-SGR-1398 from Generalitat de Catalunya. FBA thanks the Royal Society for support via an URF. NR 44 TC 2 Z9 2 U1 0 U2 2 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD MAR PY 2014 VL 438 IS 3 BP 2218 EP 2232 DI 10.1093/mnras/stt2371 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA AB6DE UT WOS:000331877000019 ER PT J AU Zhou, L Bosscher, M Zhang, CS Ozcubukcu, S Zhang, L Zhang, W Li, CJ Liu, JZ Jensen, MP Lai, LH He, C AF Zhou, Lu Bosscher, Mike Zhang, Changsheng Oezcubukcu, Salih Zhang, Liang Zhang, Wen Li, Charles J. Liu, Jianzhao Jensen, Mark P. Lai, Luhua He, Chuan TI A protein engineered to bind uranyl selectively and with femtomolar affinity SO NATURE CHEMISTRY LA English DT Article ID COORDINATION CHEMISTRY; ENZYME DESIGN; SEA-WATER; URANIUM; EXTRACTION; SEAWATER; ION; METALLOPROTEINS; FORMS AB Uranyl (UO22+), the predominant aerobic form of uranium, is present in the ocean at a concentration of similar to 3.2 parts per 10(9) (13.7 nM); however, the successful enrichment of uranyl from this vast resource has been limited by the high concentrations of metal ions of similar size and charge, which makes it difficult to design a binding motif that is selective for uranyl. Here we report the design and rational development of a uranyl-binding protein using a computational screening process in the initial search for potential uranyl-binding sites. The engineered protein is thermally stable and offers very high affinity and selectivity for uranyl with a K-d of 7.4 femtomolar (fM) and >10,000-fold selectivity over other metal ions. We also demonstrated that the uranyl-binding protein can repeatedly sequester 30-60% of the uranyl in synthetic sea water. The chemical strategy employed here may be applied to engineer other selective metal-binding proteins for biotechnology and remediation applications. C1 [Zhou, Lu; Bosscher, Mike; Oezcubukcu, Salih; Zhang, Liang; Zhang, Wen; Li, Charles J.; Liu, Jianzhao; He, Chuan] Univ Chicago, Dept Chem, Chicago, IL 60637 USA. [Zhou, Lu; Bosscher, Mike; Oezcubukcu, Salih; Zhang, Liang; Zhang, Wen; Li, Charles J.; Liu, Jianzhao; He, Chuan] Univ Chicago, Inst Biophys Dynam, Chicago, IL 60637 USA. [Zhang, Changsheng; Lai, Luhua] Peking Univ, Coll Chem & Mol Engn, State Key Lab Struct Chem Unstable & Stable Speci, BNLMS, Beijing 100871, Peoples R China. [Zhang, Changsheng; Lai, Luhua] Peking Univ, Ctr Quantitat Biol, Beijing 100871, Peoples R China. [Zhang, Changsheng; Lai, Luhua] Peking Univ, Ctr Life Sci, Beijing 100871, Peoples R China. [Jensen, Mark P.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Lai, LH (reprint author), Peking Univ, Coll Chem & Mol Engn, State Key Lab Struct Chem Unstable & Stable Speci, BNLMS, Beijing 100871, Peoples R China. EM lhlai@pku.edu.cn; chuanhe@uchicago.edu RI Liu, Jianzhao/E-9165-2011; Zhang, Liang/F-8064-2013; Jensen, Mark/G-9131-2012 OI Liu, Jianzhao/0000-0001-9465-6075; Jensen, Mark/0000-0003-4494-6693 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the US Department of Energy [DE-FG02-07ER15865]; Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the US Department of Energy at Argonne National Laboratory [DE-AC02-06CH11357]; Dreyfus Foundation Postdoctoral Program in Environmental Chemistry; Ministry of Science and Technology of China [2009CB918500]; National Natural Science Foundation of China [21173013, 11021463]; Office of Basic Energy Sciences of the US Department of Energy [DE-AC02-06CH11357] FX This work was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the US Department of Energy, under contract number DE-FG02-07ER15865 to C.H., and at Argonne National Laboratory (M.J.) under contract number DE-AC02-06CH11357, the Dreyfus Foundation Postdoctoral Program in Environmental Chemistry to S.O., the Ministry of Science and Technology of China (2009CB918500) and the National Natural Science Foundation of China (21173013, 11021463) to L.L. Use of the Advanced Photon Source for protein crystallography data collection at beamlines LS/CA-CAT (21-ID-F) and NE-CAT (24-ID-C) was supported by the Office of Basic Energy Sciences of the US Department of Energy under contract number DE-AC02-06CH11357. We thank S. F. Reichard for editing the manuscript and C. Yang and L. Lan for experimental support. NR 37 TC 57 Z9 61 U1 14 U2 150 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1755-4330 EI 1755-4349 J9 NAT CHEM JI Nat. Chem. PD MAR PY 2014 VL 6 IS 3 BP 236 EP 241 DI 10.1038/NCHEM.1856 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA AB7EJ UT WOS:000331951800014 PM 24557139 ER PT J AU Brandizzi, F Barlowe, C AF Brandizzi, Federica Barlowe, Charles TI ER-Golgi transport: authors' response SO NATURE REVIEWS MOLECULAR CELL BIOLOGY LA English DT Letter C1 [Brandizzi, Federica] Michigan State Univ, DOE Plant Res Lab, E Lansing, MI 48824 USA. [Brandizzi, Federica] Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA. [Barlowe, Charles] Dartmouth Med Sch, Dept Biochem, Hanover, NH 03755 USA. RP Barlowe, C (reprint author), Dartmouth Med Sch, Dept Biochem, Hanover, NH 03755 USA. EM charles.barlowe@dartmouth.edu NR 5 TC 1 Z9 1 U1 0 U2 8 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1471-0072 EI 1471-0080 J9 NAT REV MOL CELL BIO JI Nat. Rev. Mol. Cell Biol. PD MAR PY 2014 VL 15 IS 3 DI 10.1038/nrm3588-c2 PG 1 WC Cell Biology SC Cell Biology GA AB7VZ UT WOS:000332000300002 ER PT J AU Haskey, SR Lanctot, MJ Liu, YQ Hanson, JM Blackwell, BD Nazikian, R AF Haskey, S. R. Lanctot, M. J. Liu, Y. Q. Hanson, J. M. Blackwell, B. D. Nazikian, R. TI Linear ideal MHD predictions for n=2 non-axisymmetric magnetic perturbations on DIII-D SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article DE edge localized modes; resonant magnetic perturbations; magnetohydrodynamics; tokamaks; toroidal plasma confinement ID RESISTIVE WALL MODES; D TOKAMAK; PLASMA RESPONSE; SIMULATION; STABILITY; PHYSICS; COILS; CODE AB An extensive examination of the plasma response to dominantly n = 2 non-axisymmetric magnetic perturbations (MPs) on the DIII-D tokamak shows the potential to control 3D field interactions by varying the poloidal spectrum of the radial magnetic field. The plasma response is calculated as a function of the applied magnetic field structure and plasma parameters, using the linear magnetohydrodynamic code MARS-F (Liu et al 2000 Phys. Plasmas 7 3681). The ideal, single fluid plasma response is decomposed into two main components: a local pitch-resonant response occurring at rational magnetic flux surfaces, and a global kink response. The efficiency with which the field couples to the total plasma response is determined by the safety factor and the structure of the applied field. In many cases, control of the applied field has a more significant effect than control of plasma parameters, which is of particular interest since it can be modified at will throughout a shot to achieve a desired effect. The presence of toroidal harmonics, other than the dominant n = 2 component, is examined revealing a significant n = 4 component in the perturbations applied by the DIII-D MP coils; however, modeling shows the plasma responses to n = 4 perturbations are substantially smaller than the dominant n = 2 responses in most situations. C1 [Haskey, S. R.; Blackwell, B. D.] Australian Natl Univ, Res Sch Phys & Engn, Plasma Res Lab, Canberra, ACT 0200, Australia. [Lanctot, M. J.] Gen Atom Co, San Diego, CA 92186 USA. [Liu, Y. Q.] Euratom CCFE Fus Assoc, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England. [Hanson, J. M.] Columbia Univ, New York, NY 10027 USA. [Nazikian, R.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Haskey, SR (reprint author), Australian Natl Univ, Res Sch Phys & Engn, Plasma Res Lab, GPO Box 4, Canberra, ACT 0200, Australia. EM shaun.haskey@anu.edu.au RI Haskey, Shaun/M-1469-2015; Blackwell, Boyd/M-2717-2015; Lanctot, Matthew J/O-4979-2016 OI Haskey, Shaun/0000-0002-9978-6597; Blackwell, Boyd/0000-0002-9091-9269; Lanctot, Matthew J/0000-0002-7396-3372 FU US Department of Energy [DE-FC02-04ER54698, DE-FG02-04ER54541, DE-AC02-09CH11466] FX This work was supported in part by the US Department of Energy under DE-FC02-04ER54698, DE-FG02-04ER54541 and DE-AC02-09CH11466. The authors wish to thank Drs A D Turnbull and M J Schaffer for several insightful discussions and the referee's for comments that helped clarify the ideas in this paper. SRH wishes to thank AINSE Ltd for providing financial assistance to enable this work to be conducted. NR 44 TC 23 Z9 23 U1 1 U2 8 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 EI 1361-6587 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD MAR PY 2014 VL 56 IS 3 AR 035005 DI 10.1088/0741-3335/56/3/035005 PG 11 WC Physics, Fluids & Plasmas SC Physics GA AB6KE UT WOS:000331896200005 ER PT J AU Wright, JC Bertelli, N AF Wright, J. C. Bertelli, N. TI The effects of finite electron temperature and diffraction on lower hybrid wave propagation SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article DE lowerhybrid; diffraction; fullwave; ray tracing ID PARAMETRIC-INSTABILITIES; TOKAMAK PLASMAS; CURRENT DRIVE; SIMULATIONS; ABSORPTION; CODE AB In this paper we show that the commonly used cold plasma dispersion relation for plasma waves in the lower hybrid range of frequencies (LHRF) produces a wave trajectory that is notably different than when thermal corrections to the Hermitian part of the dielectric tensor are retained. This is in contrast to the common implementation in LH simulation codes in which thermal effects are retained only for the anti-Hermitian part of the dielectric tensor used for damping calculations. We show which term is the critical one to retain in the dielectric tensor and discuss implications for modeling of LHRF waves in present day and future devices. We conclude with some observations on the effects of diffraction that may be isolated once thermal effects are retained in both ray tracing and full-wave approaches. C1 [Wright, J. C.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Bertelli, N.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Wright, JC (reprint author), MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM jcwright@mit.edu FU SciDAC Center for Wave-Plasma Interactions [DE-FC02-01ER54648]; US Department of Energy (DOE) [DE-AC02-CH0911466] FX We thank Paul Bonoli for helpful comments in the development of this paper. This work was supported by the SciDAC Center for Wave-Plasma Interactions Contract No DE-FC02-01ER54648 and US Department of Energy (DOE) Contract DE-AC02-CH0911466. NR 31 TC 5 Z9 5 U1 0 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 EI 1361-6587 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD MAR PY 2014 VL 56 IS 3 AR 035006 DI 10.1088/0741-3335/56/3 PG 7 WC Physics, Fluids & Plasmas SC Physics GA AB6KE UT WOS:000331896200006 ER PT J AU Peng, J Rong, G Cai, M Wang, XJ Zhou, CB AF Peng, Jun Rong, Guan Cai, Ming Wang, Xiaojiang Zhou, Chuangbing TI An Empirical Failure Criterion for Intact Rocks SO ROCK MECHANICS AND ROCK ENGINEERING LA English DT Article DE Hoek-Brown failure criterion; Triaxial compression test; Material parameter m(i); Confining pressure; Rock strength ID GSI SYSTEM; HARD-ROCK; STRENGTH; FRACTURE; MASSES; DAMAGE; COMPRESSION; GRANITE; LAC AB The parameter m (i) is an important rock property parameter required for use of the Hoek-Brown failure criterion. The conventional method for determining m (i) is to fit a series of triaxial compression test data. In the absence of laboratory test data, guideline charts have been provided by Hoek to estimate the m (i) value. In the conventional Hoek-Brown failure criterion, the m (i) value is a constant for a given rock. It is observed that using a constant m (i) may not fit the triaxial compression test data well for some rocks. In this paper, a negative exponent empirical model is proposed to express m (i) as a function of confinement, and this exercise leads us to a new empirical failure criterion for intact rocks. Triaxial compression test data of various rocks are used to fit parameters of this model. It is seen that the new empirical failure criterion fits the test data better than the conventional Hoek-Brown failure criterion for intact rocks. The conventional Hoek-Brown criterion fits the test data well in the high-confinement region but fails to match data well in the low-confinement and tension regions. In particular, it overestimates the uniaxial compressive strength (UCS) and the uniaxial tensile strength of rocks. On the other hand, curves fitted by the proposed empirical failure criterion match test data very well, and the estimated UCS and tensile strength agree well with test data. C1 [Peng, Jun; Rong, Guan; Wang, Xiaojiang; Zhou, Chuangbing] Wuhan Univ, State Key Lab Water Resources & Hydropower Engn S, Wuhan 430072, Peoples R China. [Rong, Guan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Cai, Ming] Laurentian Univ, Bharti Sch Engn, Sudbury, ON P3E 2C6, Canada. RP Peng, J (reprint author), Wuhan Univ, State Key Lab Water Resources & Hydropower Engn S, Wuhan 430072, Peoples R China. EM pengiun2010@gmail.com RI Zhou, Chuangbing/A-6964-2015; Zhou, Chuang-Bing/B-4254-2017 OI Zhou, Chuangbing/0000-0002-0114-735X; FU National Basic Research Program of China ("973'' Program) [2011CB013501, 2010CB732005]; National Natural Science Foundation of China [50979081]; Program for New Century Excellent Talents in University [NCET-11-0406]; Fundamental Research Funds for the Central Universities [2012206020215] FX The research work presented in this paper is sponsored by the National Basic Research Program of China ("973'' Program, grant nos. 2011CB013501 and 2010CB732005), the National Natural Science Foundation of China (grant no. 50979081), the Program for New Century Excellent Talents in University (grant no. NCET-11-0406), and the Fundamental Research Funds for the Central Universities (grant no. 2012206020215). The authors are grateful for this financial support. NR 32 TC 8 Z9 11 U1 9 U2 50 PU SPRINGER WIEN PI WIEN PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA SN 0723-2632 EI 1434-453X J9 ROCK MECH ROCK ENG JI Rock Mech. Rock Eng. PD MAR PY 2014 VL 47 IS 2 BP 347 EP 356 DI 10.1007/s00603-012-0355-6 PG 10 WC Engineering, Geological; Geosciences, Multidisciplinary SC Engineering; Geology GA AB3SJ UT WOS:000331710200003 ER PT J AU Pan, PZ Rutqvist, J Feng, XT Yan, F AF Pan, Peng-Zhi Rutqvist, Jonny Feng, Xia-Ting Yan, Fei TI An Approach for Modeling Rock Discontinuous Mechanical Behavior Under Multiphase Fluid Flow Conditions SO ROCK MECHANICS AND ROCK ENGINEERING LA English DT Article DE Rock discontinuous cellular automaton; TOUGH2; CO2 injection; Discontinuity; Multiphase flow ID ELASTOPLASTIC CELLULAR-AUTOMATON; SALINE AQUIFERS; FRACTURED ROCK; CO2 STORAGE; MEDIA; SIMULATION; BRINE; HEAT; CODE AB In this paper, the two computer codes TOUGH2 and RDCA (for "rock discontinuous cellular automaton") are integrated for coupled hydromechanical analysis of multiphase fluid flow and discontinuous mechanical behavior in heterogeneous rock. TOUGH2 is a well-established code for geohydrological analysis involving multiphase, multicomponent fluid flow and heat transport; RDCA is a numerical model developed for simulating the nonlinear and discontinuous geomechanical behavior of rock. The RDCA incorporates the discontinuity of a fracture independently of the mesh, such that the fracture can be arbitrarily located within an element, while the fluid pressure calculated by TOUGH2 can be conveniently applied to fracture surfaces. We verify and demonstrate the coupled TOUGH-RDCA simulator by modeling a number of simulation examples related to coupled multiphase flow and geomechanical processes associated with the deep geological storage of carbon dioxide-including modeling of ground surface uplift, stress-dependent permeability, and the coupled multiphase flow and geomechanical behavior of fractures intersecting the caprock. C1 [Pan, Peng-Zhi; Feng, Xia-Ting; Yan, Fei] Chinese Acad Sci, Inst Rock & Soil Mech, State Key Lab Geomech & Geotech Engn, Wuhan 430071, Peoples R China. [Pan, Peng-Zhi; Rutqvist, Jonny] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Pan, PZ (reprint author), Chinese Acad Sci, Inst Rock & Soil Mech, State Key Lab Geomech & Geotech Engn, Wuhan 430071, Peoples R China. EM pzpan@whrsm.ac.cn RI Rutqvist, Jonny/F-4957-2015 OI Rutqvist, Jonny/0000-0002-7949-9785 FU National Natural Science Foundation of China [10972231, 41272349, 11002154]; National Basic Research Program of China [2010CB732006]; US Department of Energy [DE-AC02-05CH11231] FX This work was finically supported by the National Natural Science Foundation of China (Nos. 10972231, 41272349, 11002154) and the National Basic Research Program of China under Grant No. 2010CB732006, and in part, supported by the US Department of Energy under contract No. DE-AC02-05CH11231. We thank Daniel Hawkes at LBNL for reviewing the initial version of the paper. NR 35 TC 4 Z9 6 U1 0 U2 22 PU SPRINGER WIEN PI WIEN PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA SN 0723-2632 EI 1434-453X J9 ROCK MECH ROCK ENG JI Rock Mech. Rock Eng. PD MAR PY 2014 VL 47 IS 2 BP 589 EP 603 DI 10.1007/s00603-013-0428-1 PG 15 WC Engineering, Geological; Geosciences, Multidisciplinary SC Engineering; Geology GA AB3SJ UT WOS:000331710200020 ER PT J AU Nguyen, MC Zhao, X Wang, YG Wang, CZ Ho, KM AF Manh Cuong Nguyen Zhao, Xin Wang, Yangang Wang, Cai-Zhuang Ho, Kai-Ming TI Genetic algorithm prediction of crystal structure of metastable Si-IX phase SO SOLID STATE COMMUNICATIONS LA English DT Article DE Si metastable structure; Structural properties; Genetic algorithm; First-principles calculations ID AUGMENTED-WAVE METHOD; SILICON AB We performed genetic algorithm search for the atomic structure of the long Lime unsolved Si-IX phase. We found two new structures with space groups of P4(2)/m and P-4, respectively, which have lattice parameters in excellent agreement with the experimental data. The phonon calculations showed that the P4(2)/m structure exhibits a soft phonon mode, while the P-4 structure is dynamically stable. Our calculation also showed that the P-4 structure is a meta-stable structure in a pressure range from 0 to 40 GPa, The Si-IX phase could be a mixed phase consisting of the P4(2)/m and the P-4 structures. Published by Elsevier Ltd. C1 [Manh Cuong Nguyen; Zhao, Xin; Wang, Yangang; Wang, Cai-Zhuang; Ho, Kai-Ming] US DOE, Ames Lab, Ames, IA 50011 USA. [Manh Cuong Nguyen; Zhao, Xin; Wang, Yangang; Wang, Cai-Zhuang; Ho, Kai-Ming] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Wang, Yangang] Chinese Acad Sci, Supercomp Ctr, Comp Network Informat Ctr, Beijing 100190, Peoples R China. RP Nguyen, MC (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. RI Nguyen, Manh Cuong/G-2783-2015; OI Nguyen, Manh Cuong/0000-0001-8027-9029; Zhao, Xin/0000-0002-3580-512X FU U.S. Department of Energy, Basic Energy Sciences, Division of Materials Science and Engineering [DE-AC02-07CH11358] FX This work was supported by the U.S. Department of Energy, Basic Energy Sciences, Division of Materials Science and Engineering, including a grant of computer time at the National Energy Research Scientific Computing Centre (NERSC) in Berkeley, CA under Contract no. DE-AC02-07CH11358. NR 19 TC 3 Z9 3 U1 0 U2 14 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-1098 EI 1879-2766 J9 SOLID STATE COMMUN JI Solid State Commun. PD MAR PY 2014 VL 182 BP 14 EP 16 DI 10.1016/j.ssc.2013.12.005 PG 3 WC Physics, Condensed Matter SC Physics GA AB2PZ UT WOS:000331635900004 ER PT J AU Duffort, V Caignaert, V Pralong, V Raveau, B Suchomel, MR Mitchell, JF AF Duffort, V. Caignaert, Vincent Pralong, V. Raveau, B. Suchomel, M. R. Mitchell, J. F. TI Photo-induced low temperature structural transition in the "114" YBaFe4O7 oxide SO SOLID STATE COMMUNICATIONS LA English DT Article DE Photo-induced transition; Iron oxide; Powder diffraction; 114 structure ID T-C; MAGNETISM; YBACO4O7 AB Synchrotron irradiation of the oxide YBaFe4O7.0 below 190 K converts the low temperature monoclinic structure to a higher symmetry tetragonal form analogous to the room temperature structure. This photo-induced metastable tetragonal form is stable even in the absence of irradiation over the range 4-60 K, however, above 60 K the photo-transition is reversible. These structural phenomena are correlated to the magnetic behaviour of this system, suggesting possible spin-lattice coupling. A scenario explaining the low temperature photo-induced transition is proposed, based on the different distributions of the valence electrons in the iron sub-lattice of the monoclinic and tetragonal phases. (C) 2013 Elsevier Ltd. All rights reserved C1 [Duffort, V.; Caignaert, Vincent; Pralong, V.; Raveau, B.] ENSICAEN, CNRS, CRISMAT, F-14050 Caen, France. [Suchomel, M. R.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Mitchell, J. F.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Caignaert, V (reprint author), ENSICAEN, CNRS, CRISMAT, 6 Bd Marechal Juin, F-14050 Caen, France. EM vincent.caignaert@ensicaen.fr RI Suchomel, Matthew/C-5491-2015; OI SUCHOMEL, Matthew/0000-0002-9500-5079; DUFFORT, Victor/0000-0002-9851-0310 FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX Argonne National Laboratory's work is supported by the U.S. Department of Energy, Office of Basic Energy Sciences under Contract no. DE-AC02-06CH11357. VD is grateful to A. Cervellino for his assistance with the X04SA beamline. NR 23 TC 1 Z9 1 U1 4 U2 25 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-1098 EI 1879-2766 J9 SOLID STATE COMMUN JI Solid State Commun. PD MAR PY 2014 VL 182 BP 22 EP 25 DI 10.1016/j.ssc.2013.11.006 PG 4 WC Physics, Condensed Matter SC Physics GA AB2PZ UT WOS:000331635900006 ER PT J AU Parker, D Singh, DJ AF Parker, David Singh, David J. TI High temperature thermoelectric properties of rock-salt structure PbS SO SOLID STATE COMMUNICATIONS LA English DT Article DE Semiconductors; Thermoelectrics; Transport Properties; Seebeck coefficient ID FILLED SKUTTERUDITES; PERFORMANCE; FIGURE; MERIT; PBTE; NANOSTRUCTURES; TELLURIDE; SNTE AB We present an analysis of the high temperature transport properties of rock-salt structure PbS, a sister compound to the better studied lead chalcogenides PbSe and PbTe. We find thermopower magnitudes exceeding 200 mu V/K in a wide doping range for temperatures of 800 K and above. Based on these calculations, and an analysis of recent experimental work, we find that this material has a potential for high thermoelectric performance. We also find favorable mechanical properties, based on an analysis of published data. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Parker, David; Singh, David J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Parker, D (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM parkerds@ornl.gov FU U.S. Department of Energy, EERE, Vehicle Technologies, Propulsion Materials Program; Solid State Solar-Thermal Energy Conversion Center (S3 TEC), an Energy Frontier Research Center; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001299/DE-FG02-09ER46577] FX This research was supported by the U.S. Department of Energy, EERE, Vehicle Technologies, Propulsion Materials Program (D.P.), and the Solid State Solar-Thermal Energy Conversion Center (S3 TEC), an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under Award no. DE-SC0001299/DE-FG02-09ER46577 (D.J.S.). NR 35 TC 2 Z9 2 U1 2 U2 75 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-1098 EI 1879-2766 J9 SOLID STATE COMMUN JI Solid State Commun. PD MAR PY 2014 VL 182 BP 34 EP 37 DI 10.1016/j.ssc.2013.12.008 PG 4 WC Physics, Condensed Matter SC Physics GA AB2PZ UT WOS:000331635900009 ER PT J AU Elkin, FS Zibrov, IP Novikov, AP Khasanov, SS Sidorov, VA Petrova, AE Lograsso, TA Thompson, JD Stishov, SM AF Elkin, F. S. Zibrov, I. P. Novikov, A. P. Khasanov, S. S. Sidorov, V. A. Petrova, A. E. Lograsso, T. A. Thompson, J. D. Stishov, S. M. TI Thermodynamics of the ferromagnetic phase transition in nearly half metallic CoS2 at high pressures SO SOLID STATE COMMUNICATIONS LA English DT Article DE Half-metal; Phase transition; X-ray; Specific heat ID ELECTRICAL-RESISTIVITY; PYRITE STRUCTURE AB The volume change and heat capacity at the ferromagnetic phase transition in COS2 were measured at high pressures using X-rays generated by the Argonne synchrotron light source and by ac-calorimetry, respectively. The transition entropy, calculated on the basis of these experimental data, drops along the transition line due to quantum degradation, as required by Nernst's law. The volume change increases strongly along the transition line, which is explained by specifics of the compressibility difference of coexisting phases that results from nearly half metallic nature of the ferromagnetic phase of COS2. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Elkin, F. S.; Zibrov, I. P.; Novikov, A. P.; Sidorov, V. A.; Petrova, A. E.; Stishov, S. M.] Russian Acad Sci, Inst High Pressure Phys Russian, Troitsk, Russia. [Khasanov, S. S.] Russian Acad Sci, Inst Solid State Phys, Chernogolovka 142432, Moscow Region, Russia. [Lograsso, T. A.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Thompson, J. D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Stishov, SM (reprint author), Russian Acad Sci, Inst High Pressure Phys Russian, Troitsk, Russia. EM sergei@hppi.troitsk.ru RI Khasanov, Salavat/R-8690-2016 FU Russian Foundation for Basic Research [12-02-00376-a]; Program of the Physics Department of RAS on Strongly Correlated Electron Systems; Program of the Presidium of RAS on Strongly Compressed Matter; DOE-NNSA [DE-NA0001974]; DOE-BES [DE-FG02-99ER45775]; NSF FX This work was supported by the Russian Foundation for Basic Research (Grant 12-02-00376-a), Program of the Physics Department of RAS on Strongly Correlated Electron Systems and Program of the Presidium of RAS on Strongly Compressed Matter. Work at Los Alamos National Laboratory was performed under the auspices of the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. TA,L. wish to acknowledge research performed at Ames Laboratory. Ames laboratory is operated for the U.S, Department of Energy by Iowa State University. A portion of this work was performed at HPCAT (Sector 16), Advanced Photon Source (APS), Argonne National Laboratory. HPCAT operations are supported by DOE-NNSA under Award no. DE-NA0001974 and DOE-BES under Award no. DE-FG02-99ER45775, with partial instrumentation funding by NSF. APS is supported by DOE-BES, under Contract no. DE-AC02-06CH11357. F.E and I.Z greatly appreciate help of C. Kenney-Benson, D. Ikuta and D. Popov. NR 25 TC 4 Z9 4 U1 3 U2 31 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-1098 EI 1879-2766 J9 SOLID STATE COMMUN JI Solid State Commun. PD MAR PY 2014 VL 181 BP 41 EP 45 DI 10.1016/j.ssc.2013.12.001 PG 5 WC Physics, Condensed Matter SC Physics GA AB2PL UT WOS:000331634500009 ER PT J AU Glaeser, RM Muller, H AF Glaeser, Robert M. Mueller, Holger TI Generalization of the Matsumoto-Tonomura approximation for the phase shift within an open aperture SO ULTRAMICROSCOPY LA English DT Article DE Aperture; Charging; Phase contrast ID PLATE; TEM AB As shown by Matsumoto and Tonomura. the phase shift imposed on an electron beam by an electrostatic phase plate is constant for all (straight) electron trajectories passing through a circular aperture, provided that (1) the electric held goes to zero at distances far above and below the aperture and (2) the value of the phase shift at the boundary (i.e perimeter of the aperture) is constant [5]. We now point out that the I esult can be valid for any shape of the hole in the aperture, and, furthermore, it requires only that the electric held is equal and opposite at large distances above and below the aperture, respectively. We also point out that the conditions of validity of the Matsumoto-Tonomura approximation constrain the phase shift across the open aperture to a quadratic algebraic form when the phase shift is not constant around the perimeter. Finally, it follows that the projection approximation for calculating the phase shift must fail for strong phase shifts of higher than quadratic form. These extensions of the original result of Matsumoto and Tonomura give further insight to the analysis of charging phenomena observed with apertures that are designed to produce contrast in in-focus images of weak phase objects. (C) 2013 Elsevier B.V. All rights reserved. C1 [Glaeser, Robert M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Mueller, Holger] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Glaeser, RM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. EM rmglaeser@lbl.gov RI Mueller, Holger/E-3194-2015 FU NIH [GM083039]; NSF [029907-002] FX This work was supported in part by NIH grant GM083039 and by NSF award #029907-002. NR 5 TC 0 Z9 0 U1 1 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3991 EI 1879-2723 J9 ULTRAMICROSCOPY JI Ultramicroscopy PD MAR PY 2014 VL 138 BP 1 EP 3 DI 10.1016/j.ultramic.2013.11.009 PG 3 WC Microscopy SC Microscopy GA AB3VT UT WOS:000331719000001 PM 24333773 ER PT J AU Gao, L Ding, XD Zong, HX Lookman, T Sun, J Ren, XB Saxena, A AF Gao, Lei Ding, Xiangdong Zong, Hongxiang Lookman, Turab Sun, Jun Ren, Xiaobing Saxena, Avadh TI Diffuse scattering as an indicator for martensitic variant selection SO ACTA MATERIALIA LA English DT Article DE Precursor phenomena; Martensitic transformation; Diffuse scattering; Molecular dynamics simulations ID R-PHASE TRANSFORMATION; SHAPE-MEMORY ALLOYS; NI-BASED ALLOYS; ELECTRON-MICROSCOPY; PRECURSOR PHENOMENA; MOLECULAR-DYNAMICS; ELASTIC-CONSTANTS; MICROSTRUCTURES; SIMULATION; ZIRCONIUM AB Diffuse scattering is an important precursor phenomenon prior to the martensitic transformation (MT). It is related to the correlated atomic position fluctuations prior to the MT and can provide important hints of the transformation mechanism. However, the role of this precursor phenomenon in the MT is not clear so far. Here we study the evolution of diffraction patterns prior to temperature- and stress-induced MTs and consider the evolution of atomic configurations during the whole MT process, using molecular dynamics simulations on a generic body-centered cubic hexagonal close-packed transformation as an example. Our results show that, although the diffuse scattering changes with external fields, there exists a general relationship between the transformation pathways, the diffuse scattering streaks and the martensitic products. Two preferred transformation pathways with opposite shuffle directions lead to a single specific diffuse scattering streak prior to the MT and form one pair of anti-variants after the MT. Thus the distribution of diffuse scattering acts as an indicator of the selection of martensitic variants. In addition, we find that the applied stress can change the shear order parameter of the phase transformation, and subsequently determines the preferred transformation pathways and the distribution of diffuse scattering streaks. This work establishes a relationship between the transformation mechanism, the precursor phenomenon and the products after the MT under the influence of external fields. (C) 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Gao, Lei; Ding, Xiangdong; Zong, Hongxiang; Sun, Jun; Ren, Xiaobing] Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China. [Ding, Xiangdong; Lookman, Turab; Saxena, Avadh] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Ren, Xiaobing] Natl Inst Mat Sci, Ferro Phys Grp, Tsukuba, Ibaraki 3050047, Japan. RP Ding, XD (reprint author), Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China. EM dingxd@mail.xjtu.edu.cn; txl@lanl.gov RI Ren, Xiaobing/B-6072-2009; Ding, Xiangdong/K-4971-2013 OI Ren, Xiaobing/0000-0002-4973-2486; Ding, Xiangdong/0000-0002-1220-3097 FU Natural Science Foundation of China [51171140, 51231008, 51320105014, 51321003]; National Basic Research program of China [2010CB631003, 2012CB619402, 2012CB619401]; Program of Introducing Talents of Discipline to Universities in China project [B06025]; US Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396] FX We are grateful to the Natural Science Foundation of China (51171140, 51231008, 51320105014 and 51321003), the National Basic Research program of China (2010CB631003, 2012CB619402 and 2012CB619401) and the Program of Introducing Talents of Discipline to Universities in China project (B06025) for their support. X.D., T.L. and A.S. thank the US Department of Energy at Los Alamos National Laboratory under grant (DE-AC52-06NA25396) NR 31 TC 1 Z9 2 U1 4 U2 33 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD MAR PY 2014 VL 66 BP 69 EP 78 DI 10.1016/j.actamat.2013.11.068 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AA9OK UT WOS:000331422600008 ER PT J AU Ungar, T Stoica, AD Tichy, G Wang, XL AF Ungar, Tamas Stoica, Alexandru D. Tichy, Geza Wang, Xun-Li TI Orientation-dependent evolution of the dislocation density in grain populations with different crystallographic orientations relative to the tensile axis in a polycrystalline aggregate of stainless steel SO ACTA MATERIALIA LA English DT Article DE In situ neutron diffraction; Line-profile analysis; hkl-Dependent dislocation density; Work-hardening; Taylor equation ID LINE-PROFILE ANALYSIS; VON KUPFER-EINKRISTALLEN; X-RAY; NEUTRON-DIFFRACTION; STRAIN AMPLITUDE; LATTICE STRAINS; SINGLE-CRYSTALS; FLOW-STRESS; CONTRAST; VULCAN AB Line profile analysis was carried out on neutron diffraction patterns collected by the energy-dispersive method for an in situ tensile-deformed AISI-316 stainless steel specimen. The experiments were carried out at the VULCAN engineering beam line of the spallation neutron source of the Oak Ridge National Laboratory. Both the dislocation densities and the local stresses in grains oriented with different hkl crystal directions along the tensile axis were determined. The work-hardening equation of Taylor was tested for the hkl-dependent phenomenological constant alpha. The grain-orientation-dependent cc values were directly related to the heterogeneity of dislocation distribution in correlation with previous transmission electron microscopy data. (C) 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Ungar, Tamas; Wang, Xun-Li] City Univ Hong Kong, Dept Phys & Mat Sci, Kowloon, Hong Kong, Peoples R China. [Stoica, Alexandru D.] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. [Ungar, Tamas; Tichy, Geza] Eotvos Univ Budapest, Dept Mat Phys, H-1518 Budapest, Hungary. RP Ungar, T (reprint author), City Univ Hong Kong, Dept Phys & Mat Sci, Tat Chee Ave, Kowloon, Hong Kong, Peoples R China. EM ungar@ludens.elte.hu RI Stoica, Alexandru/K-3614-2013; OI Stoica, Alexandru/0000-0001-5118-0134; Wang, Xun-Li/0000-0003-4060-8777 FU Division of Scientific User Facilities, Office of Basic Energy Sciences, US Department of Energy, at Oak Ridge National Laboratory [DE-AC05-00OR22725]; UT-Battelle; ORISE Oak Ridge National Laboratory FX Neutron diffraction measurements were carried out at the Spallation Neutron Source, which is sponsored by the Division of Scientific User Facilities, Office of Basic Energy Sciences, US Department of Energy, at Oak Ridge National Laboratory under contract DE-AC05-00OR22725 with UT-Battelle. A.S. thanks his colleagues: Dr. Ke An and Mr. Harley Skorpenske, as well as Dr. Sheng Cheng, from the Department of Materials Science and Engineering, University of Tennessee, Knoxville, for their help during the experiment and fruitful discussions. T.U. thanks ORISE Oak Ridge National Laboratory for partial support of this research. NR 51 TC 15 Z9 15 U1 4 U2 52 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD MAR PY 2014 VL 66 BP 251 EP 261 DI 10.1016/j.actamat.2013.11.012 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA AA9OK UT WOS:000331422600025 ER PT J AU Creutz, M AF Creutz, Michael TI Emergent spin SO ANNALS OF PHYSICS LA English DT Article DE Lattice field theory; Spin and statistics; Fermion doubling ID LATTICE GAUGE-THEORIES; STAGGERED FERMIONS; EUCLIDEAN LATTICE; TRANSFER-MATRIX; ENERGY; FIELDS AB Quantum mechanics and relativity in the continuum imply the well known spin-statistics connection. However for particles hopping on a lattice, there is no such constraint. If a lattice model yields a relativistic field theory in a continuum limit, this constraint must "emerge" for physical excitations. We discuss a few models where a spin-less fermion hopping on a lattice gives excitations which satisfy the continuum Dirac equation. This includes such well known systems such as graphene and staggered fermions. (C) 2013 Elsevier Inc. All rights reserved. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Creutz, M (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM creutz@bnl.gov FU US Department of Energy [DE-AC02-98CH10886] FX This manuscript has been authored under contract number DE-AC02-98CH10886 with the US Department of Energy. Accordingly, the US 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 US Government purposes. NR 26 TC 3 Z9 3 U1 1 U2 4 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0003-4916 EI 1096-035X J9 ANN PHYS-NEW YORK JI Ann. Phys. PD MAR PY 2014 VL 342 BP 21 EP 30 DI 10.1016/j.aop.2013.12.002 PG 10 WC Physics, Multidisciplinary SC Physics GA AA9PT UT WOS:000331426100003 ER PT J AU Mitri, FG AF Mitri, F. G. TI Axial and transverse acoustic radiation forces on a fluid sphere placed arbitrarily in Bessel beam standing wave tweezers SO ANNALS OF PHYSICS LA English DT Article DE Acoustic radiation force; Acoustic levitation; Acoustic tweezers; Standing waves; Bessel beams; Fluid sphere manipulation ID PLANE-PROGRESSIVE WAVES; POTENTIAL-WELL MODEL; QUASI-GAUSSIAN BEAM; HALF-CONE ANGLES; RIGID SPHERE; SOUND FIELD; NUMERICAL-SIMULATION; ELASTIC SPHERE; VISCOUS-FLUID; VORTEX BEAM AB The axial and transverse radiation forces on a fluid sphere placed arbitrarily in the acoustical field of Bessel beams of standing waves are evaluated. The three-dimensional components of the time-averaged force are expressed in terms of the beam-shape coefficients of the incident field and the scattering coefficients of the fluid sphere using a partial-wave expansion (PWE) method. Examples are chosen for which the standing wave field is composed of either a zero-order (non-vortex) Besse (beam, or a first-order Bessel vortex beam. It is shown here, that both transverse and axial forces can push or pull the fluid sphere to an equilibrium position depending on the chosen size parameter ka (where k is the wave-number and a the sphere's radius). The corresponding results are of particular importance in biophysical applications for the design of lab-on-chip devices operating with Bessel beams standing wave tweezers. Moreover, potential investigations in acoustic levitation and related applications in particle rotation in a vortex beam may benefit from the results of this study. (C) 2013 Elsevier Inc. All rights reserved. C1 [Mitri, F. G.] Los Alamos Natl Lab, Acoust & Sensors Technol Team, Los Alamos, NM 87545 USA. RP Mitri, FG (reprint author), Chevron Area 52 Technol, 5 Bisbee Ct, Santa Fe, NM 87508 USA. EM mitri@chevron.com NR 89 TC 16 Z9 16 U1 4 U2 37 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0003-4916 EI 1096-035X J9 ANN PHYS-NEW YORK JI Ann. Phys. PD MAR PY 2014 VL 342 BP 158 EP 170 DI 10.1016/j.aop.2013.12.009 PG 13 WC Physics, Multidisciplinary SC Physics GA AA9PT UT WOS:000331426100010 ER PT J AU Vuilleumier, D Kozarac, D Mehl, M Saxena, S Pitz, WJ Dibble, RW Chen, JY Sarathy, SM AF Vuilleumier, David Kozarac, Darko Mehl, Marco Saxena, Samveg Pitz, William J. Dibble, Robert W. Chen, Jyh-Yuan Sarathy, S. Mani TI Intermediate temperature heat release in an HCCI engine fueled by ethanol/n-heptane mixtures: An experimental and modeling study SO COMBUSTION AND FLAME LA English DT Article DE Chemical kinetic modeling; HCCI engine; Heat release rate; Biofuels ID 2-STAGE IGNITION FUELS; N-HEPTANE; PORT INJECTION; SINGLE-STAGE; LOAD LIMITS; COMBUSTION; AUTOIGNITION; OXIDATION; SIMULATIONS; OPERATION AB This study examines intermediate temperature heat release (ITHR) in homogeneous charge compression ignition (HCCI) engines using blends of ethanol and n-heptane. Experiments were performed over the range of 0-50% n-heptane liquid volume fractions, at equivalence ratios 0.4 and 0.5, and intake pressures from 1.4 bar to 2.2 bar. ITHR was induced in the mixtures containing predominantly ethanol through the addition of small amounts of n-heptane. After a critical threshold, additional n-heptane content yielded low temperature heat release (LTHR). A method for quantifying the amount of heat released during ITHR was developed by examining the second derivative of heat release, and this method was then used to identify trends in the engine data. The combustion process inside the engine was modeled using a single-zone HCCI model, and good qualitative agreement of pre-ignition pressure rise and heat release rate was found between experimental and modeling results using a detailed n-heptane/ethanol chemical kinetic model. The simulation results were used to identify the dominant reaction pathways contributing to ITHR, as well as to verify the chemical basis behind the quantification of the amount of ITHR in the experimental analysis. The dominant reaction pathways contributing to ITHR were found to be H-atom abstraction from n-heptane by OH and the addition of fuel radicals to O-2. (C) 2013 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Vuilleumier, David; Sarathy, S. Mani] King Abdullah Univ Sci & Technol, Clean Combust Res Ctr, Thuwal, Saudi Arabia. [Kozarac, Darko] Univ Zagreb, Zagreb 41000, Croatia. [Mehl, Marco; Pitz, William J.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA USA. [Saxena, Samveg] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Dibble, Robert W.; Chen, Jyh-Yuan] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. RP Sarathy, SM (reprint author), King Abdullah Univ Sci & Technol, Clean Combust Res Ctr, Thuwal, Saudi Arabia. EM mani.sarathy@kaust.edu.sa RI Sarathy, S. Mani/M-5639-2015; Mehl, Marco/A-8506-2009 OI Sarathy, S. Mani/0000-0002-3975-6206; Mehl, Marco/0000-0002-2227-5035 FU Clean Combustion Research Center; Saudi Aramco under the FUELCOM program; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX Researchers at the King Abdullah University of Science and Technology acknowledge funding from the Clean Combustion Research Center and from Saudi Aramco under the FUELCOM program. The work at LLNL was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 48 TC 20 Z9 21 U1 2 U2 30 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD MAR PY 2014 VL 161 IS 3 BP 680 EP 695 DI 10.1016/j.combustflame.2013.10.008 PG 16 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA AA9QN UT WOS:000331428100006 ER PT J AU Allen, JW Scheer, AM Gao, CW Merchant, SS Vasu, SS Welz, O Savee, JD Osborn, DL Lee, C Vranckx, S Wang, ZD Qi, F Fernandes, RX Green, WH Hadi, MZ Taatjes, CA AF Allen, Joshua W. Scheer, Adam M. Gao, Connie W. Merchant, Shame S. Vasu, Subith S. Welz, Oliver Savee, John D. Osborn, David L. Lee, Changyoul Vranckx, Stijn Wang, Zhandong Qi, Fei Fernandes, Ravi X. Green, William H. Hadi, Masood Z. Taatjes, Craig A. TI A coordinated investigation of the combustion chemistry of diisopropyl ketone, a prototype for biofuels produced by endophytic fungi SO COMBUSTION AND FLAME LA English DT Article DE Diisopropyl ketone; Automatic mechanism generation; Ignition delay; Pyrolysis; Combustion; Detailed kinetics modeling ID RAPID COMPRESSION MACHINE; SET MODEL CHEMISTRY; OXIDATION CHEMISTRY; ETHANOL OXIDATION; MASS-SPECTROMETRY; LOW-PRESSURE; TEMPERATURE; RADICALS; KINETICS; FUELS AB Several classes of endophytic fungi have been recently identified that convert cellulosic biomass to a range of ketones and other oxygenated molecules, which are potentially viable as biofuels, but whose oxidation chemistry is not yet well understood. In this work, we present a predictive kinetics model describing the pyrolysis and oxidation of diisopropyl ketone (DIPK) that was generated automatically using the Reaction Mechanism Generator (RMG) software package. The model predictions are evaluated against three experiments that cover a range of temperatures, pressures, and oxygen concentrations: (1) Synchrotron photoionization mass spectrometry (PIMS) measurements of pyrolysis in the range 800-1340 K at 30 Ton and 760 Torr; (2) Synchrotron PIMS measurements of laser photolytic Cl-initiated oxidation from 550 K to 700 K at 8 Tort; and (3) Rapid-compression machine measurements of ignition delay between 591 K and 720 K near 10 bar. Improvements made to the model parameters, particularly in the areas of hydrogen abstraction from the initial DIPK molecule and low-temperature peroxy chemistry, are discussed. Our ability to automatically generate this model and systematically improve its parameters without fitting to the experimental results demonstrates the usefulness of the predictive chemical kinetics paradigm. (C) 2013 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Allen, Joshua W.; Gao, Connie W.; Merchant, Shame S.; Green, William H.] MIT, Dept Chem Engn, Cambridge, MA 02139 USA. [Scheer, Adam M.; Welz, Oliver; Savee, John D.; Osborn, David L.; Taatjes, Craig A.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Vasu, Subith S.] Univ Cent Florida, Orlando, FL 32708 USA. [Lee, Changyoul; Vranckx, Stijn; Fernandes, Ravi X.] Rhein Westfal TH Aachen, D-52056 Aachen, Germany. [Wang, Zhandong; Qi, Fei] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China. [Fernandes, Ravi X.] Phys Tech Bundesanstalt, D-38116 Braunschweig, Germany. [Hadi, Masood Z.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Green, WH (reprint author), MIT, Dept Chem Engn, Cambridge, MA 02139 USA. EM whgreen@mit.edu; cataatj@sandia.gov RI Wang, Zhandong/B-2839-2009; Welz, Oliver/C-1165-2013; Qi, Fei/A-3722-2012; OI Welz, Oliver/0000-0003-1978-2412; , /0000-0001-8002-1036; Green, William/0000-0003-2603-9694; Vasu, Subith/0000-0002-4164-3163 FU Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories; United States Department of Energy [DE-AC04-94AL85000]; Excellence Initiative by the German federal and state governments to promote science and research at German universities; National Basic Research Program of China (973 Program) [2013CB834602]; Natural Science Foundation of China [50925623]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX This work is supported by the Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories, a multiprogram laboratory operated by Sandia Corporation, a Lock-heed Martin Company, for the United States Department of Energy under contract DE-AC04-94AL85000. The work at Aachen is supported by the Cluster of Excellence "Tailor-Made Fuels from Bio-mass" program, funded by the Excellence Initiative by the German federal and state governments to promote science and research at German universities. The Hefei work is funded by the National Basic Research Program of China (973 Program) (2013CB834602) and the Natural Science Foundation of China (50925623). 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 DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory. NR 50 TC 21 Z9 21 U1 4 U2 52 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD MAR PY 2014 VL 161 IS 3 BP 711 EP 724 DI 10.1016/j.combustflame.2013.10.019 PG 14 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA AA9QN UT WOS:000331428100008 ER PT J AU Cai, LM Sudholt, A Lee, DJ Egolfopoulos, FN Pitsch, H Westbrook, CK Sarathy, SM AF Cai, Liming Sudholt, Alena Lee, Dong Joon Egolfopoulos, Fokion N. Pitsch, Heinz Westbrook, Charles K. Sarathy, S. Mani TI Chemical kinetic study of a novel lignocellulosic biofuel: Di-n-butyl ether oxidation in a laminar flow reactor and flames SO COMBUSTION AND FLAME LA English DT Article DE Laminar flames; Ignition delay; Flame propagation; Ethers; Di-n-butyl ether ID DIMETHYL ETHER; DIETHYL-ETHER; BURNING VELOCITIES; PREMIXED FLAMES; SHOCK-TUBE; JET FUELS; COMBUSTION; IGNITION; HYDROCARBONS; PROPAGATION AB The combustion characteristics of promising alternative fuels have been studied extensively in the recent years. Nevertheless, the pyrolysis and oxidation kinetics for many oxygenated fuels are not well characterized compared to those of hydrocarbons. In the present investigation, the first chemical kinetic study of a long-chain linear symmetric ether, di-n-butyl ether (DBE), is presented and a detailed reaction model is developed. DBE has been identified recently as a candidate biofuel produced from lignocellulosic biomass. The model includes both high temperature and low temperature reaction pathways with reaction rates generated using appropriate rate rules. In addition, experimental studies on fundamental combustion characteristics, such as ignition delay times and laminar flame speeds have been performed. A laminar flow reactor was used to determine the ignition delay times of lean and stoichiometric DBE/air mixtures. The laminar flame speeds of DBE/air mixtures were measured in the stagnation flame configuration for a wide rage of equivalence ratios at atmospheric pressure and an unburned reactant temperature of 373 K. All experimental data were modeled using the present kinetic model. The agreement between measured and computed results is satisfactory, and the model was used to elucidate the oxidation pathways of DBE. The dissociation of keto-hydroperoxides, leading to radical chain branching was found to dominate the ignition of DBE in the low temperature regime. The results of the present numerical and experimental study of the oxidation of di-n-butyl ether provide a good basis for further investigation of long chain linear and branched ethers. (C) 2013 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Cai, Liming; Sudholt, Alena; Pitsch, Heinz] Rhein Westfal TH Aachen, Inst Combust Technol, D-52056 Aachen, Germany. [Lee, Dong Joon; Egolfopoulos, Fokion N.] Univ So Calif, Dept Aerosp & Mech Engn, Los Angeles, CA 90089 USA. [Westbrook, Charles K.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. [Sarathy, S. Mani] King Abdullah Univ Sci & Technol, Clean Combust Res Ctr, Thuwal 239556900, Saudi Arabia. RP Cai, LM (reprint author), Rhein Westfal TH Aachen, Inst Combust Technol, D-52056 Aachen, Germany. EM lcai@itv.rwth-aachen.de; mani@sarathy.ca RI Pitsch, Heinz/E-1082-2014; Sarathy, S. Mani/M-5639-2015; OI Pitsch, Heinz/0000-0001-5656-0961; Sarathy, S. Mani/0000-0002-3975-6206; Egolfopoulos, Fokion/0000-0002-7115-5304 FU Excellence Initiative by the German federal government; German Research Foundation (DFG); Clean Combustion Research Center at the King Abdullah University of Science and Technology; TMFB Visiting Fellowship program; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; CEFRC, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences [DE-SC0001198]; Excellence Initiative by the German state government FX The authors are grateful to Dr. Mariam Al Rashidi (KAUST, Saudi Arabia) and Dr. Alex Davis (NIST, USA) for performing the quantum chemical BDE calculations. This work was performed as part of the Cluster of Excellence "Tailor-Made Fuels from Biomass", which is funded by the Excellence Initiative by the German federal and state governments to promote science and research at German universities, and as part of the collaborative research center (SFB) 1029 which is funded by the German Research Foundation (DFG). This work was partly funded by the Clean Combustion Research Center at the King Abdullah University of Science and Technology. Co-author S.M.S. acknowledges funding from the TMFB Visiting Fellowship program. The LLNL work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. The USC work was supported as part of the CEFRC, 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-SC0001198. NR 55 TC 21 Z9 22 U1 4 U2 30 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD MAR PY 2014 VL 161 IS 3 BP 798 EP 809 DI 10.1016/j.combustflame.2013.10.003 PG 12 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA AA9QN UT WOS:000331428100014 ER PT J AU Wang, YL Lee, DJ Westbrook, CK Egolfopoulos, FN Tsotsis, TT AF Wang, Yang L. Lee, Dong J. Westbrook, Charles K. Egolfopoulos, Fokion N. Tsotsis, Theodore T. TI Oxidation of small alkyl esters in flames SO COMBUSTION AND FLAME LA English DT Article DE Flame propagation; Laminar flames; Alkyl esters; Methyl esters; Ethyl esters ID PARTICLE IMAGE VELOCIMETRY; KINETIC REACTION-MECHANISM; IGNITION DELAY TIMES; JET-STIRRED REACTOR; METHYL BUTANOATE; SHOCK-TUBE; PREMIXED FLAMES; BIODIESEL FUELS; COMBUSTION CHEMISTRY; ELEVATED PRESSURES AB The oxidation characteristics of several small methyl and ethyl esters with carbon number less than six were investigated in laminar flames. The kinetics of such fuels are subsets of those of larger alkyl esters that are constituents of practical biodiesel fuels. A total of seven fuels, namely methyl formate, methyl acetate, methyl propionate, methyl butanoate, ethyl formate, ethyl acetate, and ethyl propionate were considered. Experiments were conducted at atmospheric pressure, elevated reactant temperatures, and over a wide range of equivalence ratios. Laminar flame speeds were determined in the counterflow configuration in which flow velocities were measured using particle image velocimetry. Several detailed kinetic models were tested against the experimental data, and insight was provided into the high-temperature combustion kinetics of the aforementioned fuels. Based on comparisons between experimental and computed results it became apparent that the chemistry of alkyl-ester combustion chemistry is evolving and much needs to be done in order to derive improved rate constants for a wide range of elementary steps. (C) 2013 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 [Wang, Yang L.; Lee, Dong J.; Egolfopoulos, Fokion N.] Univ So Calif, Dept Aerosp & Mech Engn, Los Angeles, CA 90089 USA. [Westbrook, Charles K.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Tsotsis, Theodore T.] Univ So Calif, Mork Family Dept Chem Engn & Mat Sci, Los Angeles, CA 90089 USA. RP Egolfopoulos, FN (reprint author), Univ So Calif, Dept Aerosp & Mech Engn, Los Angeles, CA 90089 USA. EM egolfopo@usc.edu OI Egolfopoulos, Fokion/0000-0002-7115-5304 FU CEFRC, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences [DE-SC0001198]; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This material is based upon work supported as part of the CEFRC, 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-SC0001198. Computational portions were performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 59 TC 18 Z9 19 U1 4 U2 36 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 EI 1556-2921 J9 COMBUST FLAME JI Combust. Flame PD MAR PY 2014 VL 161 IS 3 BP 810 EP 817 DI 10.1016/j.combustflame.2013.09.013 PG 8 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA AA9QN UT WOS:000331428100015 ER PT J AU Pearce, CI Liu, J Baer, DR Qafoku, O Heald, SM Arenholz, E Grosz, AE McKinley, JP Resch, CT Bowden, ME Engelhard, MH Rosso, KM AF Pearce, C. I. Liu, J. Baer, D. R. Qafoku, O. Heald, S. M. Arenholz, E. Grosz, A. E. McKinley, J. P. Resch, C. T. Bowden, M. E. Engelhard, M. H. Rosso, K. M. TI Characterization of natural titanomagnetites (Fe3-xTixO4) for studying heterogeneous electron transfer to Tc(VII) in the Hanford subsurface SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID MAGNETIC CIRCULAR-DICHROISM; 2P ABSORPTION-SPECTRA; X-RAY PHOTOEMISSION; SITE OCCUPANCY; PERTECHNETATE; REDUCTION; SPECTROSCOPY; IRON; SEDIMENTS; PRODUCTS AB Sediments with basaltic provenance, such as those at the Hanford nuclear reservation, Washington, USA, are rich in Fe-bearing minerals of mixed valence. These minerals are redox reactive with aqueous O-2 or Fe(II), and have the potential to react with important environmental contaminants including Tc. Here we isolate, identify and characterize natural Fe(II)/Fe(III)-bearing microparticles from Hanford sediments, develop synthetic analogues and investigate their batch redox reactivity with aqueous Tc(VII). Natural Fe-rich mineral samples were isolated by magnetic separation from sediments collected at several locations on Hanford's central plateau. This magnetic mineral fraction was found to represent up to 1 wt% of the total sediment, and be composed of 90% magnetite with minor ilmenite and hematite, as determined by X-ray diffraction. The magnetite contained variable amounts of transition metals consistent with alio- and isovalent metal substitutions for Fe. Xray microprobe analysis showed that Ti was the most significant substituent, and that these grains could be described with the titanomagnetite formula Fe3-xTixO4, which falls between endmember magnetite (x = 0) and ulvospinel (x = 1). The dominant composition was determined to be x = 0.15 by chemical analysis and electron probe microanalysis in the bulk, and by L-edge X-ray absorption spectroscopy and X-ray photoelectron spectroscopy at the surface. Site-level characterization of the titanomagnetites by X-ray magnetic circular dichroism showed that despite native oxidation, octahedral Fe(II) was detectable within 5 nm of the mineral surface. By testing the effect of contact with oxic Hanford and Ringold groundwaters to reduced Ringold groundwater, it was found that the concentration of this near-surface structural Fe(II) was strongly dependent on aqueous redox condition. This highlights the potential for restoring reducing equivalents and thus reduction capacity to oxidized Fe-mineral surfaces through redox cycling in the natural environment. Reaction of these magnetically-separated natural phases from Hanford sediments with a solution containing 10 mu M Tc(VII) showed that they were able to reductively immobilize Tc(VII) with concurrent oxidation of Fe(II) to Fe(III) at the mineral surface, as were synthetic x = 0.15 microparticle and nanoparticle analogue phases. When differences in the particle surface area to solution volume ratio were taken into consideration, measured Tc(VII) reduction rates for Fe3-xTixO4 (x = 0.15) natural material, synthetic bulk powder and nanoparticles scaled systematically, suggesting possible utility for comprehensive batch and flow reactivity studies. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Pearce, C. I.; Liu, J.; Baer, D. R.; Qafoku, O.; McKinley, J. P.; Resch, C. T.; Bowden, M. E.; Engelhard, M. H.; Rosso, K. M.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Heald, S. M.] Argonne Natl Lab, Argonne, IL 60439 USA. [Arenholz, E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Grosz, A. E.] US Geol Survey, Reston, VA 22092 USA. RP Pearce, CI (reprint author), Univ Manchester, Sch Chem, Manchester M13 9PL, Lancs, England. EM carolyn.pearce@manchester.ac.uk RI Baer, Donald/J-6191-2013; Liu, Juan/G-6035-2016; OI Baer, Donald/0000-0003-0875-5961; Engelhard, Mark/0000-0002-5543-0812 FU PNNL Science Focus Area (SFA), Subsurface Biogeochemical Research (SBR) program, the DOE Office of Biological and Environmental Research (OBER), US Department of Energy (DOE); US DOE [DE-AC02-06CH11357]; DOE Office of Science, Office of Basic Energy Sciences [DE-AC02-05CH11231] FX This work was funded by PNNL Science Focus Area (SFA), Subsurface Biogeochemical Research (SBR) program, the DOE Office of Biological and Environmental Research (OBER), US Department of Energy (DOE). mu-XRD, TEM and SEM measurements were performed in Environmental Molecular Science Laboratory (EMSL), a national user facility supported by the OBER and located at PNNL. Use of the Advanced Photon Source, an Office of Science User Facility operated by Argonne National Laboratory, was supported by the US DOE under Contract No. DE-AC02-06CH11357. XA and XMCD measurements were performed at the Advance Light Source supported by the DOE Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-05CH11231. The authors acknowledge Bruce Bjornstad for identifying the sites for sample collection and arranging site access. NR 37 TC 7 Z9 7 U1 4 U2 57 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 EI 1872-9533 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD MAR 1 PY 2014 VL 128 BP 114 EP 127 DI 10.1016/j.gca.2013.12.010 PG 14 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA AA4ZR UT WOS:000331105700008 ER PT J AU Fetouh, HA Abdel-Fattah, TM El-Tantawy, MS AF Fetouh, Howida A. Abdel-Fattah, Tarek M. El-Tantawy, Mohamed S. TI Novel Plant Extracts as Green Corrosion Inhibitors for 7075-T6 Aluminium Alloy in an Aqueous Medium SO INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE LA English DT Article DE Alloys; Electrochemical techniques; Adsorption; Corrosion ID ACID CORROSION; MILD-STEEL; ADSORPTION; RESISTANCE; IRON AB The effect of aqueous extracts of Damsissa, Lupine and Halfa-bar on the corrosion of 7075-T6 aluminium alloy in an aqueous solution of 0.5M sodium chloride has been studied employing electrochemical impedance spectroscopy and potentiodynamic polarization techniques. The impedance (Nyquist) plots manifested that the dissolution process is controlled by charge transfer from anodic to cathodic sites. The polarization curves showed that the three extracts act as cathodic inhibitors. Inhibitive mechanism was discussed assuming the adsorption of the three extracts on the electrode surface. Theoretical fitting of Langmuir, Flory-Huggins adsorption isotherms and the kinetic-thermodynamic model were tested to clarify the adsorption mechanism. C1 [Fetouh, Howida A.; El-Tantawy, Mohamed S.] Univ Alexandria, Dept Chem, Fac Sci, Alexandria 21321, Egypt. [Abdel-Fattah, Tarek M.] Christopher Newport Univ, Appl Res Ctr, Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Abdel-Fattah, Tarek M.] Christopher Newport Univ, Dept Mol Biol & Chem, Newport News, VA 23606 USA. RP Fetouh, HA (reprint author), Univ Alexandria, Dept Chem, Fac Sci, POB 426, Alexandria 21321, Egypt. EM mohamed.tantawy1@gmail.com NR 26 TC 2 Z9 3 U1 3 U2 18 PU ESG PI BELGRADE PA BORIVOJA STEVANOVICA 25-7, BELGRADE, 11000, SERBIA SN 1452-3981 J9 INT J ELECTROCHEM SC JI Int. J. Electrochem. Sci. PD MAR PY 2014 VL 9 IS 3 BP 1565 EP 1582 PG 18 WC Electrochemistry SC Electrochemistry GA AA6FM UT WOS:000331194200040 ER PT J AU Yoon, SJ Sabharwall, P Kim, ES AF Yoon, Su-Jong Sabharwall, Piyush Kim, Eung-Soo TI Numerical study on crossflow printed circuit heat exchanger for advanced small modular reactors SO INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER LA English DT Article DE Crossflow; Heat exchanger; PCHE; Analytical model; Thermal design; Cost estimation; Advanced SMR AB Various fluids such as water, gases (helium), molten-salts (FLiNaK, FLiBe) and liquid metal (sodium) are used as a coolant of advanced small modular reactors (SMRs). The printed-circuit heat exchanger (PCHE) has been adopted as the intermediate and/or secondary heat exchanger of SMR systems because this heat exchanger is compact and effective. The size and cost of PCHE can be changed by the coolant type of each SMR. In this study, the crossflow PCHE analysis code for advanced small modular reactor has been developed for the thermal design and cost estimation of the heat exchanger. The analytical solution of single-pass, both unmixed fluids crossflow heat exchanger model was employed to calculate a two-dimensional temperature profile of a crossflow PCHE. The analytical solution of crossflow heat exchanger was simply implemented by using built-in function of the MATLAB program. The effect of fluid property uncertainty on the calculation results was evaluated. In addition, the effect of heat transfer correlations on the calculated temperature profile was analyzed by taking into account possible combinations of primary and secondary coolants in the SMR systems. Size and cost of heat exchanger were evaluated for the given temperature requirement of each SMR. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Yoon, Su-Jong; Sabharwall, Piyush] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Kim, Eung-Soo] Seoul Natl Univ, Seoul, South Korea. RP Yoon, SJ (reprint author), Idaho Natl Lab, 2525 Fremont Ave, Idaho Falls, ID 83415 USA. EM sujong.yoon@inl.gov FU National Research Foundation of Korea (NRF); Korean government (MSIP), under DOE Idaho Operations Office [2012-052255, DE-AC07-05ID14517] FX This work was supported by the National Research Foundation of Korea (NRF) and grant funded by the Korean government (MSIP) (Grant code: 2012-052255), under DOE Idaho Operations Office Contract DE-AC07-05ID14517. NR 40 TC 3 Z9 3 U1 4 U2 23 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0017-9310 EI 1879-2189 J9 INT J HEAT MASS TRAN JI Int. J. Heat Mass Transf. PD MAR PY 2014 VL 70 BP 250 EP 263 DI 10.1016/j.ijheatmasstransfer.2013.10.079 PG 14 WC Thermodynamics; Engineering, Mechanical; Mechanics SC Thermodynamics; Engineering; Mechanics GA AA0VF UT WOS:000330814800027 ER PT J AU Meyer, KM Calfee, MW Wood, JP Mickelsen, L Attwood, B Clayton, M Touati, A Delafield, R AF Meyer, K. M. Calfee, M. W. Wood, J. P. Mickelsen, L. Attwood, B. Clayton, M. Touati, A. Delafield, R. TI Fumigation of a laboratory-scale HVAC system with hydrogen peroxide for decontamination following a biological contamination incident SO JOURNAL OF APPLIED MICROBIOLOGY LA English DT Article ID BACILLUS-ANTHRACIS; SURFACES; SPORES; VAPOR; STERILIZATION; STEEL C1 [Meyer, K. M.] Oak Ridge Inst Sci & Educ, Res Triangle Pk, NC USA. [Meyer, K. M.; Calfee, M. W.; Wood, J. P.; Attwood, B.] US EPA, Off Res & Dev, Natl Homeland Secur Res Ctr, Res Triangle Pk, NC 27711 USA. [Mickelsen, L.] US EPA, Off Emergency Management, Res Triangle Pk, NC 27711 USA. [Clayton, M.; Touati, A.; Delafield, R.] Arcadis G&M, Durham, NC USA. RP Calfee, MW (reprint author), US EPA, MD E343-06 109 TW Alexander Dr, Res Triangle Pk, NC 27711 USA. EM calfee.worth@epa.gov NR 31 TC 3 Z9 3 U1 3 U2 15 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1364-5072 EI 1365-2672 J9 J APPL MICROBIOL JI J. Appl. Microbiol. PD MAR PY 2014 VL 116 IS 3 BP 533 EP 541 PG 9 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA AA8GV UT WOS:000331334500006 PM 24279292 ER PT J AU Chaudhuri, A Sinha, DN Zalte, A Pereyra, E Webb, C Gonzalez, ME AF Chaudhuri, Anirban Sinha, Dipen N. Zalte, Abhijit Pereyra, Eduardo Webb, Charles Gonzalez, Manuel E. TI Mass Fraction Measurements in Controlled Oil-Water Flows Using Noninvasive Ultrasonic Sensors SO JOURNAL OF FLUIDS ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article ID SEPARATION DYNAMICS; VOLUME FRACTION; CRUDE-OIL; EMULSIONS; ATTENUATION; CAPACITANCE; CORIOLIS; VELOCITY; METER; PROBE AB Controlled flow rate tests using mixtures of crude oil and water at different mass fractions were carried out in a flow loop at the University of Tulsa. A noninvasive acoustic method developed at the Los Alamos National Laboratory (LANL) was applied to calculate the mass and volume fractions of oil and water in the mixed two-phase flow by measuring the speed of sound through the composite fluid mixture along with the instantaneous temperature. The densities and sound speeds in each fluid component were obtained in advance for calibration at various temperatures, and the fitting coefficients were used in the final algorithm. In this paper, we present composition measurement results using the acoustic technique from LANL for different mixture ratios of crude oil and water and at varying flow rates and a comparison of the results from the acoustics-based method with those from Coriolis meters that measured individual mass flow rates prior to mixing. The mean difference between the two metering techniques was observed to be less than 1.4% by weight and is dependent on the total flow rates. A Monte Carlo analysis of the error due to calibration uncertainty has also been included. C1 [Chaudhuri, Anirban; Sinha, Dipen N.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Zalte, Abhijit; Pereyra, Eduardo] McDougall Sch Petr, Tulsa, OK 74104 USA. [Webb, Charles] San Joaquin Valley Business Unit, Bakersfield, CA 93311 USA. [Gonzalez, Manuel E.] Chevron ETC, Houston, TX 77002 USA. RP Chaudhuri, A (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM anirban@lanl.gov; sinha@lanl.gov; abhijit-zalte@utulsa.edu; eduardo-pereyra@utulsa.edu; charles.webb@chevron.com; gonzame@chevron.com OI Sinha, Dipen/0000-0002-3606-7907 FU Chevron USA Inc. FX This work was supported by Chevron USA Inc. NR 35 TC 3 Z9 3 U1 2 U2 20 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0098-2202 EI 1528-901X J9 J FLUID ENG-T ASME JI J. Fluids Eng.-Trans. ASME PD MAR PY 2014 VL 136 IS 3 AR 031304 DI 10.1115/1.4026055 PG 8 WC Engineering, Mechanical SC Engineering GA AB0JG UT WOS:000331477200013 ER PT J AU Wu, XJ Wendel, M Chahine, G Riemer, B AF Wu, Xiongjun Wendel, Mark Chahine, Georges Riemer, Bernie TI Gas Bubble Size Measurements in Liquid Mercury Using an Acoustic Spectrometer SO JOURNAL OF FLUIDS ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article AB A properly dispersed population of small bubbles can mitigate cavitation damage to a spallation neutron source target. In order to measure such a bubble population, an acoustic device was developed and implemented in a mercury loop at ORNL. The instrument generated pulses of various frequencies and measured their acoustic propagation in the bubbly medium. It then deduced sound speed and attenuation at the various frequencies and used an inverse problem solver to provide near real-time measurements of bubble size distribution and void fraction. The measurements were then favorably compared with an optical method. C1 [Wu, Xiongjun; Chahine, Georges] Dynaflow Inc, Jessup, MD 20794 USA. [Wendel, Mark; Riemer, Bernie] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Wu, XJ (reprint author), Dynaflow Inc, 10621-J Iron Bridge Rd, Jessup, MD 20794 USA. EM wxj@dynaflow-inc.com; wendelmw@ornl.gov; glchahine@dynaflow-inc.com; riemerbw@ornl.gov OI Riemer, Bernard/0000-0002-6922-3056; chahine, georges/0000-0003-1610-3314 FU US Department of Energy [DE-FG02-07ER84840] FX This study was conducted under support from the US Department of Energy, SBIR No. DE-FG02-07ER84840 awarded to Dynaflow, Inc. We are very grateful for this support. NR 22 TC 0 Z9 0 U1 0 U2 5 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0098-2202 EI 1528-901X J9 J FLUID ENG-T ASME JI J. Fluids Eng.-Trans. ASME PD MAR PY 2014 VL 136 IS 3 AR 031303 DI 10.1115/1.4026440 PG 9 WC Engineering, Mechanical SC Engineering GA AB0JG UT WOS:000331477200012 ER PT J AU Lee, SY Skorpenske, H Stoica, AD An, K Wang, XL Noyan, IC AF Lee, Seung-Yub Skorpenske, Harley Stoica, Alexandru D. An, Ke Wang, Xun-Li Noyan, I. C. TI Measurement of Interface Thermal Resistance With Neutron Diffraction SO JOURNAL OF HEAT TRANSFER-TRANSACTIONS OF THE ASME LA English DT Article DE thermal resistance; buried interface; neutron diffraction ID DIAMOND-SILICON BOUNDARIES; CONTACT CONDUCTANCE; KAPITZA RESISTANCE; RIETVELD REFINEMENT; GRAIN-BOUNDARIES; CONDUCTIVITY; TEMPERATURES; DIFFUSIVITY; FILMS; SOLIDS AB A noncontact, nondestructive neutron diffraction technique for measuring thermal resistance of buried material interfaces in bulk samples, inaccessible to thermocouple measurements, is described. The technique uses spatially resolved neutron diffraction measurements to measure temperature, and analytical or numerical methods to calculate the corresponding thermal resistance. It was tested at the VULCAN instrument of the Spallation Neutron Source, Oak Ridge National Laboratories on a stack of three 6061 alloy aluminum plates (heat-source, middle-plate, and heat-sink), held in dry thermal contact, at low pressure, in ambient air. The results agreed with thermocouple-based measurements. This technique is applicable to all crystalline materials and most interface configurations, and it can be used for the characterization of thermal resistance across interfaces in actual engineering parts under nonambient conditions and/or in moving/rotating systems. C1 [Lee, Seung-Yub; Noyan, I. C.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Skorpenske, Harley; Stoica, Alexandru D.; An, Ke] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. [Wang, Xun-Li] City Univ Hong Kong, Dept Phys & Mat Sci, Kowloon, Hong Kong, Peoples R China. RP Lee, SY (reprint author), Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. EM sl3274@columbia.edu; skorpenskehd@ornl.gov; stoicaad@ornl.gov; kean@ornl.gov; xlwang@cityu.edu.hk; icn2@columbia.edu RI An, Ke/G-5226-2011; Stoica, Alexandru/K-3614-2013; OI An, Ke/0000-0002-6093-429X; Stoica, Alexandru/0000-0001-5118-0134; Wang, Xun-Li/0000-0003-4060-8777 FU NSF [DMR-0520547] FX The authors would like to thank Dr. Li Li and Dr. Ling Yang for assistance in data collection, Dr. Sean Polvino, Mr. Mikhail Treger, and Ms. Hande Ozturk for helpful discussion on instrument resolution, Mr. Adrian M. Chitu for AFM measurement, and Ms. Rebecca A. Mills for help with the sample set-up. Experiments were conducted at the Spallation Neutron Source which is sponsored at Oak Ridge National Laboratory by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. This research utilized a part of DANSE software supported by the NSF Award No. DMR-0520547. NR 49 TC 0 Z9 0 U1 6 U2 31 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0022-1481 EI 1528-8943 J9 J HEAT TRANS-T ASME JI J. Heat Transf.-Trans. ASME PD MAR PY 2014 VL 136 IS 3 AR 031302 DI 10.1115/1.4025500 PG 12 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA AB0IB UT WOS:000331474100002 ER PT J AU deCamp, A Hraber, P Bailer, RT Seaman, MS Ochsenbauer, C Kappes, J Gottardo, R Edlefsen, P Self, S Tang, HL Greene, K Gao, HM Daniell, X Sarzotti-Kelsoe, M Gorny, MK Zolla-Pazner, S LaBranche, CC Mascola, JR Korber, BT Montefiori, DC AF deCamp, Allan Hraber, Peter Bailer, Robert T. Seaman, Michael S. Ochsenbauer, Christina Kappes, John Gottardo, Raphael Edlefsen, Paul Self, Steve Tang, Haili Greene, Kelli Gao, Hongmei Daniell, Xiaoju Sarzotti-Kelsoe, Marcella Gorny, Miroslaw K. Zolla-Pazner, Susan LaBranche, Celia C. Mascola, John R. Korber, Bette T. Montefiori, David C. TI Global Panel of HIV-1 Env Reference Strains for Standardized Assessments of Vaccine-Elicited Neutralizing Antibodies SO JOURNAL OF VIROLOGY LA English DT Article ID HUMAN-IMMUNODEFICIENCY-VIRUS; HUMAN MONOCLONAL-ANTIBODIES; HIV-1-INFECTED INDIVIDUALS; POTENT NEUTRALIZATION; BROAD NEUTRALIZATION; CROSS-REACTIVITY; CD4-BINDING SITE; STRUCTURAL BASIS; RATIONAL DESIGN; V3 DOMAIN AB Standardized assessments of HIV-1 vaccine-elicited neutralizing antibody responses are complicated by the genetic and antigenic variability of the viral envelope glycoproteins (Envs). To address these issues, suitable reference strains are needed that are representative of the global epidemic. Several panels have been recommended previously, but no clear answers have been available on how many and which strains are best suited for this purpose. We used a statistical model selection method to identify a global panel of reference Env clones from among 219 Env-pseudotyped viruses assayed in TZM-bl cells with sera from 205 HIV-1-infected individuals. The Envs and sera were sampled globally from diverse geographic locations and represented all major genetic subtypes and circulating recombinant forms of the virus. Assays with a panel size of only nine viruses adequately represented the spectrum of HIV-1 serum neutralizing activity seen with the larger panel of 219 viruses. An optimal panel of nine viruses was selected and augmented with three additional viruses for greater genetic and antigenic coverage. The spectrum of HIV-1 serum neutralizing activity seen with the final 12-virus panel closely approximated the activity seen with subtype-matched viruses. Moreover, the final panel was highly sensitive for detection of many of the known broadly neutralizing antibodies. For broader assay applications, all 12 Env clones were converted to infectious molecular clones using a proviral backbone carrying a Renilla luciferase reporter gene (Env. IMC. LucR viruses). This global panel should facilitate highly standardized assessments of vaccine-elicited neutralizing antibodies across multiple HIV-1 vaccine platforms in different parts of the world. IMPORTANCE An effective HIV-1 vaccine will need to overcome the extraordinary genetic variability of the virus, where most variation occurs in the viral envelope glycoproteins that are the sole targets for neutralizing antibodies. Efforts to elicit broadly cross-reactive neutralizing antibodies that will protect against infection by most circulating strains of the virus are guided in part by in vitro assays that determine the ability of vaccine-elicited antibodies to neutralize genetically diverse HIV-1 variants. Until now, little information was available on how many and which strains of the virus are best suited for this purpose. We applied robust statistical methods to evaluate a large neutralization data set and identified a small panel of viruses that are a good representation of the global epidemic. The neutralization properties of this new panel of reference strains should facilitate the development of an effective HIV-1 vaccine. C1 [deCamp, Allan; Gottardo, Raphael; Edlefsen, Paul; Self, Steve] Fred Hutchinson Canc Res Ctr, Seattle, WA 98104 USA. [Hraber, Peter; Korber, Bette T.] Los Alamos Natl Lab, Los Alamos, NM USA. [Bailer, Robert T.; Mascola, John R.] NIAID, Vaccine Res Ctr, NIH, Bethesda, MD 20892 USA. [Seaman, Michael S.] Harvard Univ, Beth Israel Deaconess Med Ctr, Sch Med, Ctr Virol & Vaccine Res, Boston, MA 02215 USA. [Ochsenbauer, Christina; Kappes, John] Univ Alabama Birmingham, Birmingham, AL USA. [Kappes, John] Birmingham Vet Affairs Med Ctr, Res Serv, Birmingham, AL USA. [Tang, Haili; Greene, Kelli; Gao, Hongmei; Daniell, Xiaoju; Sarzotti-Kelsoe, Marcella; LaBranche, Celia C.; Montefiori, David C.] Duke Univ, Med Ctr, Dept Surg, Durham, NC 27710 USA. [Sarzotti-Kelsoe, Marcella] Duke Univ, Med Ctr, Dept Immunol, Durham, NC 27710 USA. [Gorny, Miroslaw K.; Zolla-Pazner, Susan] NYU, Dept Pathol, Langone Sch Med, New York, NY 10016 USA. [Zolla-Pazner, Susan] Vet Affairs Med Ctr, Res Ctr AIDS & HIV Infect, New York, NY USA. RP Montefiori, DC (reprint author), Duke Univ, Med Ctr, Dept Surg, Durham, NC 27710 USA. EM monte@duke.edu OI Gorny, Miroslaw/0000-0002-2714-8780; Korber, Bette/0000-0002-2026-5757; Hraber, Peter/0000-0002-2920-4897 FU Bill & Melinda Gates Foundation [38619, 1032144]; Intramural Research Program of the Vaccine Research Center, NIAID, NIH; Virology Core of the Birmingham Center for AIDS Research (CFAR) [AI27767] FX This work was funded by grants from the Bill & Melinda Gates Foundation (Collaboration for AIDS Vaccine Discovery no. 38619 and 1032144) and by the Intramural Research Program of the Vaccine Research Center, NIAID, NIH. This work was further supported by the Virology Core of the Birmingham Center for AIDS Research (CFAR, AI27767). NR 85 TC 37 Z9 37 U1 1 U2 8 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0022-538X EI 1098-5514 J9 J VIROL JI J. Virol. PD MAR PY 2014 VL 88 IS 5 BP 2489 EP 2507 DI 10.1128/JVI.02853-13 PG 19 WC Virology SC Virology GA AA5JK UT WOS:000331131700012 PM 24352443 ER PT J AU Sullivan, KM Morton, DP Pan, F Smith, JC AF Sullivan, Kelly M. Morton, David P. Pan, Feng Smith, J. Cole TI Securing a border under asymmetric information SO NAVAL RESEARCH LOGISTICS LA English DT Article DE cutting planes; asymmetric information; network interdiction ID STOCHASTIC NETWORK INTERDICTION; PATH AB We study a stochastic interdiction model of Morton et al. IIE Transactions, 39 (2007):3-14 that locates radiation sensors at border crossings to detect and prevent the smuggling of nuclear material. In this model, an interdictor places sensors at customs checkpoints to minimize a potential smuggler's maximum probability of crossing a border undetected. We focus on a model variant in which the interdictor has different, and likely more accurate, perceptions of the system's parameters than the smuggler does. We introduce a model that is tighter and uses fewer constraints than that of Morton et al. We also develop a class of valid inequalities along with a corresponding separation procedure that can be used within a cutting-plane approach to reduce computational effort. Computational results demonstrate the effectiveness of our approach.Copyright (c) 2014 Wiley Periodicals, Inc. Naval Research Logistics 61: 91-100, 2014 C1 [Sullivan, Kelly M.; Smith, J. Cole] Univ Florida, Dept Ind & Syst Engn, Gainesville, FL 32611 USA. [Morton, David P.] Univ Texas Austin, Grad Program Operat Res & Ind Engn, Austin, TX 78712 USA. [Pan, Feng] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Smith, JC (reprint author), Univ Florida, Dept Ind & Syst Engn, Gainesville, FL 32611 USA. EM cole@ise.left.edu RI Morton, David/K-2388-2014 FU National Science Foundation [CMMI-0653916, CMMI-0800676, CMMI-1100765]; Defense Threat Reduction Agency [HDTRA1-08-1-0029, BRCALL08-A-2-0030, HDTRA1-10-1-0050]; US Department of Homeland Security [2008-DN-077-ARI021-04] FX This work has been supported by the National Science Foundation through grants CMMI-0653916, CMMI-0800676, and CMMI-1100765, the Defense Threat Reduction Agency through grants HDTRA1-08-1-0029, BRCALL08-A-2-0030, and HDTRA1-10-1-0050, and the US Department of Homeland Security under Grant Award Number 2008-DN-077-ARI021-04. The views and conclusions contained in this document are those of the author and should not be interpreted as necessarily representing the official policies, either expressed or implied, of the US Department of Homeland Security. The authors are very grateful for the remarks of two anonymous referees and an associate editor, whose input helped to improve the presentation of this paper. NR 11 TC 4 Z9 4 U1 0 U2 4 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0894-069X EI 1520-6750 J9 NAV RES LOG JI Nav. Res. Logist. PD MAR PY 2014 VL 61 IS 2 BP 91 EP 100 DI 10.1002/nav.21567 PG 10 WC Operations Research & Management Science SC Operations Research & Management Science GA AA8WF UT WOS:000331375000001 ER PT J AU Gosink, LJ Hogan, EA Pulsipher, TC Baker, NA AF Gosink, Luke J. Hogan, Emilie A. Pulsipher, Trenton C. Baker, Nathan A. TI Bayesian model aggregation for ensemble-based estimates of protein pK(a) values SO PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS LA English DT Article ID PH MOLECULAR-DYNAMICS; APPARENT DIELECTRIC-CONSTANTS; POISSON-BOLTZMANN EQUATION; STAPHYLOCOCCAL NUCLEASE; IONIZABLE GROUPS; HYDROPHOBIC INTERIOR; STRUCTURAL ORIGINS; RESIDUES; REGRESSION; PREDICTION C1 [Gosink, Luke J.; Pulsipher, Trenton C.; Baker, Nathan A.] Pacific NW Natl Lab, Computat & Stat Analyt Div, Richland, WA 99352 USA. [Hogan, Emilie A.] Pacific NW Natl Lab, Computat Sci & Math Div, Richland, WA 99352 USA. RP Baker, NA (reprint author), Pacific NW Natl Lab, Computat & Stat Analyt Div, POB 999,MSID K7-28, Richland, WA 99352 USA. EM nathan.baker@pnnl.gov RI Baker, Nathan/A-8605-2010 OI Baker, Nathan/0000-0002-5892-6506 FU National Biomedical Computational Resource (NIH) [P41 RR0860516]; NIH [R01 GM069702] FX Grant sponsor: National Biomedical Computational Resource (NIH); Grant number: P41 RR0860516; Grant sponsor: NIH; Grant number: R01 GM069702. NR 73 TC 2 Z9 2 U1 2 U2 8 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0887-3585 EI 1097-0134 J9 PROTEINS JI Proteins PD MAR PY 2014 VL 82 IS 3 BP 354 EP 363 PG 10 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA AA8TP UT WOS:000331368200002 PM 23946048 ER PT J AU Wenke, BB Lecomte, JTJ Heroux, AH Schlessman, JL AF Wenke, Belinda B. Lecomte, Juliette T. J. Heroux, Annie H. Schlessman, Jamie L. TI The 2/2 hemoglobin from the cyanobacterium Synechococcus sp PCC 7002 with covalently attached heme: Comparison of X-ray and NMR structures SO PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS LA English DT Article ID TRUNCATED HEMOGLOBINS; POSTTRANSLATIONAL MODIFICATION; MONOMERIC HEMOGLOBIN; LIGAND-BINDING; SP PCC-7002; PROTEIN; VALIDATION; REFINEMENT; MYOGLOBIN; DYNAMICS C1 [Wenke, Belinda B.; Lecomte, Juliette T. J.] Johns Hopkins Univ, TC Jenkins Dept Biophys, Baltimore, MD 21218 USA. [Heroux, Annie H.] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. [Schlessman, Jamie L.] US Naval Acad, Dept Chem, Annapolis, MD 21402 USA. RP Schlessman, JL (reprint author), US Naval Acad, Dept Chem, 572M Holloway Rd, Annapolis, MD 21402 USA. EM schlessm@usna.edu FU National Science Foundation [MCB 0843439] FX Grant sponsor: National Science Foundation; grant number: MCB 0843439 (to J.T.J.L.). NR 31 TC 8 Z9 8 U1 0 U2 8 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0887-3585 EI 1097-0134 J9 PROTEINS JI Proteins PD MAR PY 2014 VL 82 IS 3 BP 528 EP 534 PG 7 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA AA8TP UT WOS:000331368200017 PM 23999883 ER PT J AU Sleiman, M Kirchstetter, TW Berdahl, P Gilbert, HE Quelen, S Marlot, L Preble, CV Chen, S Montalbano, A Rosseler, O Akbari, H Levinson, R Destaillats, H AF Sleiman, Mohamad Kirchstetter, Thomas W. Berdahl, Paul Gilbert, Haley E. Quelen, Sarah Marlot, Lea Preble, Chelsea V. Chen, Sharon Montalbano, Amandine Rosseler, Olivier Akbari, Hashem Levinson, Ronnen Destaillats, Hugo TI Soiling of building envelope surfaces and its effect on solar reflectance - Part II: Development of an accelerated aging method for roofing materials SO SOLAR ENERGY MATERIALS AND SOLAR CELLS LA English DT Article DE Cool roofs; Soiling; Weathering; Natural exposure; Accelerated aging; Soot ID PARTICULATE MATTER; COOL ROOFS; COATINGS; LIMESTONE; COLONIZATION; FACADES; CARBON; CYANOBACTERIA; CLEANABILITY; COMMUNITIES AB Highly reflective roofs can decrease the energy required for building air conditioning, help mitigate the urban heat island effect, and slow global warming. However, these benefits are diminished by soiling and weathering processes that reduce the solar reflectance of most roofing materials. Soiling results from the deposition of atmospheric particulate matter and the growth of microorganisms, each of which absorb sunlight. Weathering of materials occurs with exposure to water, sunlight, and high temperatures. This study developed an accelerated aging method that incorporates features of soiling and weathering. The method sprays a calibrated aqueous soiling mixture of dust minerals, black carbon, humic acid, and salts onto preconditioned coupons of roofing materials, then subjects the soiled coupons to cycles of ultraviolet radiation, heat and water in a commercial weatherometer. Three soiling mixtures were optimized to reproduce the site-specific solar spectral reflectance features of roofing products exposed for 3 years in a hot and humid climate (Miami, Florida); a hot and dry climate (Phoenix, Arizona); and a polluted atmosphere in a temperate climate (Cleveland, Ohio). A fourth mixture was designed to reproduce the three-site average values of solar reflectance and thermal emittance attained after 3 years of natural exposure, which the Cool Roof Rating Council (CRRC) uses to rate roofing products sold in the US. This accelerated aging method was applied to 25 products-single ply membranes, factory and field applied coatings, tiles, modified bitumen cap sheets, and asphalt shingles-and reproduced in 3 days the CRRC's 3-year aged values of solar reflectance. This accelerated aging method can be used to speed the evaluation and rating of new cool roofing materials. Published by Elsevier B.V. C1 [Sleiman, Mohamad; Kirchstetter, Thomas W.; Berdahl, Paul; Gilbert, Haley E.; Quelen, Sarah; Marlot, Lea; Preble, Chelsea V.; Chen, Sharon; Montalbano, Amandine; Rosseler, Olivier; Levinson, Ronnen; Destaillats, Hugo] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Heat Isl Grp, Berkeley, CA 94720 USA. [Kirchstetter, Thomas W.; Preble, Chelsea V.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Akbari, Hashem] Concordia Univ, Dept Bldg Civil & Environm Engn, Montreal, PQ, Canada. RP Destaillats, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Heat Isl Grp, Berkeley, CA 94720 USA. EM HDestaillats@LBL.gov OI Quelen, Sarah/0000-0003-2493-6543 FU Energy Efficiency and Renewable Energy, Building Technologies Office of the US Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Building Technologies Office of the US Department of Energy under Contract No. DE-AC02-05CH11231. The authors thank Marc La France, Karma Sawyer, Patrick Phelan and Alexis Abramson of the Department of Energy (Office of Energy Efficiency and Renewable Energy, Building Technologies Office) for program management and support; and Riccardo Paolini (Politecnico de Milano) and George Ban-Weiss (University of Southern California) for valuable suggestions. The authors also recognize the significant support from several industrial collaborators, who provided the roofing samples for natural exposure and laboratory testing, and contributed invaluable feedback and suggestions to improve the accelerated aging method. NR 69 TC 27 Z9 28 U1 2 U2 50 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0248 EI 1879-3398 J9 SOL ENERG MAT SOL C JI Sol. Energy Mater. Sol. Cells PD MAR PY 2014 VL 122 BP 271 EP 281 DI 10.1016/j.solmat.2013.11.028 PG 11 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA AB0PI UT WOS:000331494200036 ER PT J AU Tang, J Fernandez-Garcia, I Vijayakumar, S Martinez-Ruis, H Illa-Bochaca, I Nguyen, DH Mao, JH Costes, SV Barcellos-Hoff, MH AF Tang, Jonathan Fernandez-Garcia, Ignacio Vijayakumar, Sangeetha Martinez-Ruis, Haydeliz Illa-Bochaca, Irineu Nguyen, David H. Mao, Jian-Hua Costes, Sylvain V. Barcellos-Hoff, Mary Helen TI Irradiation of Juvenile, but not Adult, Mammary Gland Increases Stem Cell Self-Renewal and Estrogen Receptor Negative Tumors SO STEM CELLS LA English DT Article DE Ionizing radiation; Notch; Breast cancer; Epithelial-mesenchymal transition; Multiscale; In silico modeling; Mammary stem cell; Transforming growth factor beta ID GROWTH-FACTOR-BETA; BREAST-CANCER; MESENCHYMAL TRANSITION; IONIZING-RADIATION; INITIATING CELLS; TGF-BETA; IN-VIVO; MICROENVIRONMENT; CARCINOGENESIS; ACTIVATION AB Children exposed to ionizing radiation have a substantially greater breast cancer risk than adults; the mechanism for this strong age dependence is not known. Here we show that pubertal murine mammary glands exposed to sparsely or densely ionizing radiation exhibit enrichment of mammary stem cell and Notch pathways, increased mammary repopulating activity indicative of more stem cells, and propensity to develop estrogen receptor (ER) negative tumors thought to arise from stem cells. We developed a mammary lineage agent-based model (ABM) to evaluate cell inactivation, self-renewal, or dedifferentiation via epithelial-mesenchymal transition (EMT) as mechanisms by which radiation could increase stem cells. ABM rejected cell inactivation and predicted increased self-renewal would only affect juveniles while dedifferentiation could act in both juveniles and adults. To further test self-renewal versus dedifferentiation, we used the MCF10A human mammary epithelial cell line, which recapitulates ductal morphogenesis in humanized fat pads, undergoes EMT in response to radiation and transforming growth factor beta (TGF beta) and contains rare stem-like cells that are Let-7c negative or express both basal and luminal cytokeratins. ABM simulation of population dynamics of double cytokeratin cells supported increased self-renewal in irradiated MCF10A treated with TGF beta. Radiation-induced Notch concomitant with TGF beta was necessary for increased self-renewal of Let-7c negative MCF10A cells but not for EMT, indicating that these are independent processes. Consistent with these data, irradiating adult mice did not increase mammary repopulating activity or ER-negative tumors. These studies suggest that irradiation during puberty transiently increases stem cell self-renewal, which increases susceptibility to developing ER-negative breast cancer. Stem Cells 2014;32:649-661 C1 [Tang, Jonathan; Mao, Jian-Hua; Costes, Sylvain V.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Fernandez-Garcia, Ignacio; Vijayakumar, Sangeetha; Martinez-Ruis, Haydeliz; Illa-Bochaca, Irineu; Nguyen, David H.; Barcellos-Hoff, Mary Helen] NYU, Sch Med, Dept Radiat Oncol, New York, NY 10016 USA. RP Barcellos-Hoff, MH (reprint author), NYU, Sch Med, Dept Radiat Oncol, 566 First Ave, New York, NY 10016 USA. EM svcostes@lbl.gov; mhbarcel-los-hoff@nyumc.org RI Illa-Bochaca, Irineu/K-3191-2013; OI Illa-Bochaca, Irineu/0000-0002-8039-565X; Barcellos-Hoff, Mary Helen/0000-0002-5994-9558 FU NASA Specialized Center for Research in Radiation Health Effects [NNX09AM52G]; DOE Low-Dose Radiation program FX We thank Michael Gonzalez, William Chou and Jessica Chang for technical assistance. This research was supported by NASA Specialized Center for Research in Radiation Health Effects, NNX09AM52G and by DOE Low-Dose Radiation program (M.H.B.H.). NR 52 TC 15 Z9 15 U1 0 U2 4 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1066-5099 EI 1549-4918 J9 STEM CELLS JI Stem Cells PD MAR PY 2014 VL 32 IS 3 BP 649 EP 661 DI 10.1002/stem.1533 PG 13 WC Cell & Tissue Engineering; Biotechnology & Applied Microbiology; Oncology; Cell Biology; Hematology SC Cell Biology; Biotechnology & Applied Microbiology; Oncology; Hematology GA AA9BR UT WOS:000331389200005 PM 24038768 ER PT J AU Qu, J Luo, HM Chi, MF Ma, C Blau, PJ Dai, S Viola, MB AF Qu, Jun Luo, Huimin Chi, Miaofang Ma, Cheng Blau, Peter J. Dai, Sheng Viola, Michael B. TI Comparison of an oil-miscible ionic liquid and ZDDP as a lubricant anti-wear additive SO TRIBOLOGY INTERNATIONAL LA English DT Article DE Oil-soluble ionic liquid; Lubricant additives; Tribo-film; ZDDP ID STEEL/STEEL CONTACTS; PERFORMANCE; MECHANISM; AMMONIUM; ALLOYS AB This paper reports the anti-scuffing/anti-wear behavior and mechanism of an oil-miscible ionic liquid (IL), trihexyltetradecylphosphonium bis(2-ethylhexyl)phosphate, in a base oil at 1.0 wt% concentration under both room and elevated temperatures. Results are benchmarked against those for a conventional anti-wear additive, zinc dialkyl-dithiophosphate (ZDDP). Reciprocating sliding, boundary lubrication tests were conducted using a piston ring segment against a cylinder liner piece cut from actual automotive engine components. Although the IL and ZDDP worked equally well to prevent scuffing and reduce wear in the room-temperature tests, the IL significantly outperformed ZDDP in the 100 degrees C tests. The top surfaces and cross sections of the worn surfaces were characterized to reveal the morphology, thickness, nanostructure, and chemical composition of the IL-induced tribo-films. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Qu, Jun; Chi, Miaofang; Ma, Cheng; Blau, Peter J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Luo, Huimin] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA. [Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Viola, Michael B.] Gen Motors Corp, Ctr Res & Dev, Detroit, MI USA. RP Qu, J (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, POB 2008, Oak Ridge, TN 37831 USA. EM qujn@ornl.gov RI Ma, Cheng/C-9120-2014; Chi, Miaofang/Q-2489-2015; Dai, Sheng/K-8411-2015; OI Chi, Miaofang/0000-0003-0764-1567; Dai, Sheng/0000-0002-8046-3931; Qu, Jun/0000-0001-9466-3179 FU Vehicle Technologies Office, Office of Energy Efficiency and Renewable Energy, US Department of Energy (DOE) FX The authors thank Dr. J.M. Storey, S.A. Lewis Sr., and D.W. Coffey of ORNL for the pyrolysis analyses and TEM sample preparation, respectively, and Dr. E. Bardasz from Lubrizol and A.G. Bro from ExxonMobil for providing the ZDDP and the PAO base oil, respectively. Research was sponsored by the Vehicle Technologies Office, Office of Energy Efficiency and Renewable Energy, US Department of Energy (DOE). The surface characterization work was supported NR 32 TC 32 Z9 36 U1 6 U2 67 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-679X EI 1879-2464 J9 TRIBOL INT JI Tribol. Int. PD MAR PY 2014 VL 71 BP 88 EP 97 DI 10.1016/j.triboint.2013.11.010 PG 10 WC Engineering, Mechanical SC Engineering GA AA8MI UT WOS:000331349200010 ER PT J AU Bachand, GD Bouxsein, NF VanDelinder, V Bachand, M AF Bachand, George D. Bouxsein, Nathan F. VanDelinder, Virginia Bachand, Marlene TI Biomolecular motors in nanoscale materials, devices, and systems SO WILEY INTERDISCIPLINARY REVIEWS-NANOMEDICINE AND NANOBIOTECHNOLOGY LA English DT Review ID MOLECULAR MOTORS; COUNTERCLOCKWISE MOTION; MICROTUBULE MOVEMENTS; MEMBRANE NANOTUBES; SELF-ORGANIZATION; GLIDING MOTILITY; KINESIN MOTORS; PHOTO-CONTROL; TRANSPORT; PROTEIN AB Biomolecular motors are a unique class of intracellular proteins that are fundamental to a considerable number of physiological functions such as DNA replication, organelle trafficking, and cell division. The efficient transformation of chemical energy into useful work by these proteins provides strong motivation for their utilization as nanoscale actuators in ex vivo, meso- and macro-scale hybrid systems. Biomolecular motors involved in cytoskeletal transport are quite attractive models within this context due to their ability to direct the transport of nano-/micro-scale objects at rates significantly greater than diffusion, and in the absence of bulk fluid flow. As in living organisms, biomolecular motors involved in cytoskeletal transport (i.e., kinesin, dynein, and myosin) function outside of their native environment to dissipatively self-assemble biological, biomimetic, and hybrid nanostructures that exhibit nonequilibrium behaviors such as self-healing. These systems also provide nanofluidic transport function in hybrid nanodevices where target analytes are actively captured, sorted, and transported for autonomous sensing and analytical applications. Moving forward, the implementation of biomolecular motors will continue to enable a wide range of unique functionalities that are presently limited to living systems, and support the development of nanoscale systems for addressing critical engineering challenges. (C) 2013 Wiley Periodicals, Inc. C1 [Bachand, George D.; Bouxsein, Nathan F.; VanDelinder, Virginia; Bachand, Marlene] Sandia Natl Labs, Ctr Integrated Nanotechnol, 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 Bachand, George/0000-0002-3169-9980 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 Preparation of this manuscript 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 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 96 TC 18 Z9 18 U1 7 U2 89 PU WILEY PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1939-5116 EI 1939-0041 J9 WIRES NANOMED NANOBI JI Wiley Interdiscip. Rev.-Nanomed. Nanobiotechnol. PD MAR PY 2014 VL 6 IS 2 BP 163 EP 177 DI 10.1002/wnan.1252 PG 15 WC Nanoscience & Nanotechnology; Medicine, Research & Experimental SC Science & Technology - Other Topics; Research & Experimental Medicine GA AA6MD UT WOS:000331211500004 PM 24523280 ER PT J AU Konemann, J Parekh, O Pritchard, D AF Koenemann, Jochen Parekh, Ojas Pritchard, David TI Multicommodity Flow in Trees: Packing via Covering and Iterated Relaxation SO ALGORITHMICA LA English DT Article DE Multicommodity flow; Approximation algorithms; Iterated LP relaxation; Polyhedral combinatorics ID EDGE-DISJOINT PATHS; APPROXIMATION ALGORITHMS; INTEGER PROGRAMS; NETWORK DESIGN; GRAPHS AB We consider the max-weight integral multicommodity flow problem in trees. In this problem we are given an edge-, arc-, or vertex-capacitated tree and weighted pairs of terminals, and the objective is to find a max-weight integral flow between terminal pairs subject to the capacities. This problem is APX-hard and a 4-approximation for the edge- and arc-capacitated versions is known. Some special cases are exactly solvable in polynomial time, including when the graph is a path or a star. We show that all three versions of this problems fit in a common framework: first, prove a counting lemma in order to use the iterated LP relaxation method; second, solve a covering problem to reduce the resulting infeasible solution back to feasibility without losing much weight. The result of the framework is a 1+O(1/mu)-approximation algorithm where mu denotes the minimum capacity, for all three versions. A complementary hardness result shows this is asymptotically best possible. For the covering analogue of multicommodity flow, we also show a 1+I similar to(1/mu) approximability threshold with a similar framework. When the tree is a spider (i.e. only one vertex has degree greater than 2), we give a polynomial-time exact algorithm and a polyhedral description of the convex hull of all feasible solutions. This holds more generally for instances we call root-or-radial. A preliminary version of this work appeared in Konemann et al. (Proc. 6th Int. Workshop Approx. & Online Alg. (WAOA), pp. 1-14, 2008). C1 [Koenemann, Jochen] Univ Waterloo, Dept Combinator & Optimizat, Waterloo, ON N2L 3G1, Canada. [Parekh, Ojas] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Pritchard, David] Princeton Univ, Dept Comp Sci, Princeton, NJ 08544 USA. RP Pritchard, D (reprint author), Princeton Univ, Dept Comp Sci, Princeton, NJ 08544 USA. EM dp6@cs.princeton.edu NR 37 TC 0 Z9 0 U1 0 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0178-4617 EI 1432-0541 J9 ALGORITHMICA JI Algorithmica PD MAR PY 2014 VL 68 IS 3 BP 776 EP 804 DI 10.1007/s00453-012-9701-z PG 29 WC Computer Science, Software Engineering; Mathematics, Applied SC Computer Science; Mathematics GA AA3CG UT WOS:000330969900011 ER PT J AU Favorite, JA AF Favorite, Jeffrey A. TI Spherical shields perturbed to ellipsoids in transport theory SO ANNALS OF NUCLEAR ENERGY LA English DT Article DE Perturbation theory; Surface perturbation theory; Gamma rays ID INTERNAL INTERFACE PERTURBATIONS AB One-dimensional spheres are perturbed to ellipsoids, and perturbation theory for inhomogeneous transport problems is applied to estimate the leakage of an uncollided decay gamma ray, a neutron thermal capture gamma ray, and a neutron inelastic scatter gamma ray. Only the shielding is perturbed, not the source. The surface transformation function for the sphere-to-ellipsoid change-of-shape perturbation is derived. Schwinger, Roussopolos, and combined perturbation estimates are applied. The perturbation estimates are defined to estimate the total (4 pi) flux at an external spherical surface detector, and they were accurate for point-detector fluxes when the leakage estimated from a point detector was similar to the total external surface flux. For uncollided line fluxes, the Schwinger estimate worked very well when the response of interest was the total external surface flux, but perturbation theory did not work well when the response of interest was the flux measured at a single external point (unless extra care was taken to account for geometric effects). For thermal capture line fluxes, the Roussopolos estimate was extremely accurate for one point detector location but its accuracy depended on the detector location. For inelastic scatter line fluxes, the detector fluxes were relatively insensitive to the detector location and the perturbation estimates were fairly accurate. (C) 2013 Elsevier Ltd. All rights reserved. C1 Los Alamos Natl Lab, Monte Carlo Methods Codes & Applicat XCP3, Los Alamos, NM 87545 USA. RP Favorite, JA (reprint author), Los Alamos Natl Lab, Monte Carlo Methods Codes & Applicat XCP3, MS F663, Los Alamos, NM 87545 USA. EM fave@lanl.gov NR 18 TC 0 Z9 0 U1 0 U2 1 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0306-4549 J9 ANN NUCL ENERGY JI Ann. Nucl. Energy PD MAR PY 2014 VL 65 BP 376 EP 384 DI 10.1016/j.anucene.2013.11.011 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA AA2IF UT WOS:000330917600049 ER PT J AU Li, HJ Pu, YQ Kumar, R Ragauskas, AJ Wyman, CE AF Li, Hongjia Pu, Yunqiao Kumar, Rajeev Ragauskas, Arthur J. Wyman, Charles E. TI Investigation of Lignin Deposition on Cellulose During Hydrothermal Pretreatment, Its Effect on Cellulose Hydrolysis, and Underlying Mechanisms SO BIOTECHNOLOGY AND BIOENGINEERING LA English DT Article DE hydrothermal pretreatment; lignin droplets; deposition; enzymatic hydrolysis; inhibition mechanisms ID MILLED WOOD LIGNIN; ENZYMATIC-HYDROLYSIS; CORN STOVER; DILUTE-ACID; LIGNOCELLULOSE FRACTIONATION; SUPRAMOLECULAR STRUCTURE; ETHANOL; BIOMASS; ACCESSIBILITY; SUBSTRATE AB In dilute acid pretreatment of lignocellulosic biomass, lignin has been shown to form droplets that deposit on the cellulose surface and retard enzymatic digestion of cellulose (Donohoe et al., 2008; Selig et al., 2007). However, studies of this nature are limited for hydrothermal pretreatment, with the result that the corresponding mechanisms that inhibit cellulosic enzymes are not well understood. In this study, scanning electron microscope (SEM) and wet chemical analysis of solids formed by hydrothermal pretreatment of a mixture of Avicel cellulose and poplar wood showed that lignin droplets from poplar wood relocated onto the Avicel surface. In addition, nuclear magnetic resonance (NMR) showed higher S/G ratios in deposited lignin than the initial lignin in poplar wood. Furthermore, the lignin droplets deposited on Avicel significantly impeded cellulose hydrolysis. A series of tests confirmed that blockage of the cellulose surface by lignin droplets was the main cause of cellulase inhibition. The results give new insights into the fate of lignin in hydrothermal pretreatment and its effects on enzymatic hydrolysis. Biotechnol. Bioeng. 2014;111: 485-492. (c) 2013 Wiley Periodicals, Inc. C1 [Li, Hongjia; Kumar, Rajeev; Wyman, Charles E.] Univ Calif Riverside, Bourns Coll Engn, Dept Chem & Environm Engn, Riverside, CA 92507 USA. [Li, Hongjia; Kumar, Rajeev; Wyman, Charles E.] Univ Calif Riverside, Ctr Environm Res & Technol CE CERT, Riverside, CA 92507 USA. [Pu, Yunqiao; Ragauskas, Arthur J.] Georgia Inst Technol, Inst Paper Sci & Technol, Atlanta, GA 30332 USA. [Li, Hongjia; Pu, Yunqiao; Kumar, Rajeev; Ragauskas, Arthur J.; Wyman, Charles E.] Oak Ridge Natl Lab, BioEnergy Sci Ctr, Oak Ridge, TN USA. RP Wyman, CE (reprint author), Univ Calif Riverside, Bourns Coll Engn, Dept Chem & Environm Engn, Riverside, CA 92507 USA. EM charles.wyman@ucr.edu OI Kumar, Rajeev/0000-0001-7523-0108; Pu, Yunqiao/0000-0003-2554-1447; Ragauskas, Arthur/0000-0002-3536-554X FU BioEnergy Science Center (BESC) FX Contract grant sponsor: BioEnergy Science Center (BESC) NR 36 TC 60 Z9 60 U1 9 U2 112 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0006-3592 EI 1097-0290 J9 BIOTECHNOL BIOENG JI Biotechnol. Bioeng. PD MAR PY 2014 VL 111 IS 3 BP 485 EP 492 DI 10.1002/bit.25108 PG 8 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA AA4IO UT WOS:000331059500006 PM 24037461 ER PT J AU Pol, VG Wen, JG Lau, KC Callear, S Bowron, DT Lin, CK Deshmukh, SA Sankaranarayanan, S Curtiss, LA David, WIF Miller, DJ Thackeray, MM AF Pol, Vilas G. Wen, Jianguo Lau, Kah Chun Callear, Samantha Bowron, Daniel T. Lin, Chi-Kai Deshmukh, Sanket A. Sankaranarayanan, Subramanian Curtiss, Larry A. David, William I. F. Miller, Dean J. Thackeray, Michael M. TI Probing the evolution and morphology of hard carbon spheres SO CARBON LA English DT Article ID LI-ION BATTERIES; ANODE MATERIAL; PRESSURE CARBONIZATION; HOLLOW CARBON; SPHERULES; MICROSTRUCTURE; POLYETHYLENE; MECHANISM; STORAGE; ORDER AB Monodispersed hard carbon spheres can be synthesized quickly and reproducibly by autogenic reactions of hydrocarbon precursors, notably polyethylene (including plastic waste), at high temperature and pressure. The carbon microparticles formed by this reaction have a unique spherical architecture, with a dominant internal nanometer layered motif, and they exhibit diamond-like hardness and electrochemical properties similar to graphite. In the present study, in situ monitoring by X-ray diffraction along with electron microscopy, Raman spectroscopy, neutron pair-distribution function analysis, and computational modeling has been used to elucidate the morphology and evolution of the carbon spheres that form from the autogenic reaction of polyethylene at high temperature and pressure. A mechanism is proposed on how polyethylene evolves from a linear chain-based material to a layered carbon motif. Heating the spheres to 2400-2800 degrees C under inert conditions increases their graphitic character, particularly at the surface, which enhances their electrochemical and tribological properties. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Pol, Vilas G.; Lin, Chi-Kai; Thackeray, Michael M.] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. [Wen, Jianguo; Lau, Kah Chun; Curtiss, Larry A.; Miller, Dean J.] Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA. [Callear, Samantha; Bowron, Daniel T.; David, William I. F.] Rutherford Appleton Lab, ISIS, Didcot OX11 0QX, Oxon, England. [David, William I. F.] Univ Oxford, Inorgan Chem Lab, Oxford OX1 3QR, England. [Deshmukh, Sanket A.; Sankaranarayanan, Subramanian] Argonne Natl Lab, Ctr Nanoscale Mat, Lemont, IL 60439 USA. RP Thackeray, MM (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. EM thackeray@anl.gov RI lin, chikai/D-4986-2014; Lau, Kah Chun/A-9348-2013; OI Lau, Kah Chun/0000-0002-4925-3397; Bowron, Daniel/0000-0002-4557-1929 FU Center for Electrical Energy Storage, an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by the Center for Electrical Energy Storage, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-06CH11357. Use of facilities at the Center for Nanoscale Materials, Electron Microscopy Center and the Advanced Photon Source, Argonne National Laboratory, USA, all supported by the Office of Basic Energy Sciences, and at ISIS, Rutherford Appleton Laboratory, UK are gratefully acknowledged. ConocoPhillips is thanked for heating the carbon spheres at 2800 degrees C. We acknowledge grants of computer time through allocations on the CNM Carbon Cluster at Argonne National Laboratory, the ALCF Fusion Cluster at Argonne National Laboratory, and the EMSL Chinook Cluster at Pacific Northwest National Laboratory. NR 41 TC 12 Z9 12 U1 14 U2 104 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 EI 1873-3891 J9 CARBON JI Carbon PD MAR PY 2014 VL 68 BP 104 EP 111 DI 10.1016/j.carbon.2013.10.059 PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA AA0UZ UT WOS:000330814200009 ER PT J AU Thunga, M Chen, K Grewell, D Kessler, MR AF Thunga, Mahendra Chen, Keke Grewell, David Kessler, Michael R. TI Bio-renewable precursor fibers from lignin/polylactide blends for conversion to carbon fibers SO CARBON LA English DT Article ID LIGNIN; POLY(L-LACTIDE); CRYSTALLIZATION AB Lignin, a highly aromatic biopolymer extracted as a coproduct of wood pulping, was investigated as a suitable precursor for carbon fibers. Lignin was chemically modified and blended with poly(lactic acid) (PLA) biopolymer before melt spinning into lignin fibers. The chemical modification of raw lignin involved butyration to form ester functional groups in place of polar,hydroxyl (-OH) groups, which enhanced the miscibility of lignin with PLA. Fine fibers were extracted and spooled continuously from lignin/PLA blends with an overall lignin concentration of 75 wt.%. The influence of chemical modification and physical blending of lignin with PLA on the resulting fiber was studied by analyzing the microstructure of the fibers using transmission electron microscopy (TEM) and scanning electron microscopy (SEM). The influence of blend composition on the phase behavior was studied by differential scanning calorimetry (DSC). The effect of composition on the mechanical properties was studied by tensile tests of the lignin/PLA blend fibers. The thermal stability and carbon yield of the blended fibers with different concentrations of lignin were characterized by thermogravimetric analysis (TGA). The microstructure analysis of carbon fibers produced from lignin/PLA blends revealed composition dependent microporous structures inside the fine fibers. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Thunga, Mahendra; Chen, Keke; Kessler, Michael R.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. [Thunga, Mahendra; Kessler, Michael R.] US DOE, Ames Lab, Ames, IA 50011 USA. [Grewell, David] Iowa State Univ, Dept Agr & Biosyst Engn, Ames, IA 50011 USA. [Kessler, Michael R.] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. RP Kessler, MR (reprint author), Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. EM mkessler@iastate.edu RI Kessler, Michael/C-3153-2008 OI Kessler, Michael/0000-0001-8436-3447 FU Iowa Alliance for Wind Innovation and Novel Development (IAWIND); Siemens Wind Energy FX The authors would like to acknowledge the support of the Iowa Alliance for Wind Innovation and Novel Development (IAWIND) and Siemens Wind Energy for funding this research work. NR 28 TC 34 Z9 34 U1 13 U2 104 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 EI 1873-3891 J9 CARBON JI Carbon PD MAR PY 2014 VL 68 BP 159 EP 166 DI 10.1016/j.carbon.2013.10.075 PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA AA0UZ UT WOS:000330814200015 ER PT J AU Asahina, D Kim, K Li, Z Bolander, JE AF Asahina, Daisuke Kim, Kunhwi Li, Zhen Bolander, John E. TI Flow field calculations within discrete models of multiphase materials SO COMPOSITES PART B-ENGINEERING LA English DT Article DE Interface/interphase; Environmental degradation; Computational modeling; Mass transport ID INTERFACIAL TRANSITION ZONE; PARTICULATE MATERIALS; CHLORIDE DIFFUSION; MOISTURE DIFFUSION; CEMENT COMPOSITES; CRACKED CONCRETE; LATTICE MODELS; FRACTURE; SIMULATION; DAMAGE AB Mass transport in composite materials is affected by the properties of the constituent phases and their interfaces. This paper presents a discrete (lattice) model for simulating mass transport within multiphase materials. The lattice is based on Delaunay/Voronoi tessellations of a semi-random set of points. Fundamental properties of the lattice network are validated for potential flow through homogeneous media. Thereafter, flow is simulated through multiphase particulate materials, in which the inclusions have simple geometries. Explicit representation of the matrix-inclusion interphase enables precise control of interphase thickness and the simulation of percolation phenomena. As expected, interphase percolation leads to dramatic increases in effective permeability of the medium. The ability to calculate nodal flux, and from it visualize complex flow fields, is essential for model validation and model-based engineering of multiphase materials. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Asahina, Daisuke] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Kim, Kunhwi] Yonsei Univ, Dept Civil & Environm Engn, Seoul 120749, South Korea. [Li, Zhen] HDR Engn Inc, Folsom, CA 95630 USA. [Bolander, John E.] Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA. RP Bolander, JE (reprint author), Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA. EM jebolander@ucdavis.edu FU Basic Science Research Program through the National Research Foundation of Korea (NRF); Ministry of Education, Science and Technology [357-2011-1-D00227] FX The work of the second author was supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology (357-2011-1-D00227). NR 53 TC 0 Z9 0 U1 1 U2 13 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1359-8368 EI 1879-1069 J9 COMPOS PART B-ENG JI Compos. Pt. B-Eng. PD MAR PY 2014 VL 58 BP 293 EP 302 DI 10.1016/j.compositesb.2013.10.043 PG 10 WC Engineering, Multidisciplinary; Materials Science, Composites SC Engineering; Materials Science GA AA0XO UT WOS:000330820900036 ER PT J AU Wu, Z Bei, H Otto, F Pharr, GM George, EP AF Wu, Z. Bei, H. Otto, F. Pharr, G. M. George, E. P. TI Recovery, recrystallization, grain growth and phase stability of a family of FCC-structured multi-component equiatomic solid solution alloys SO INTERMETALLICS LA English DT Article DE Alloy design; Solid-solution hardening; Recrystallization and recovery; Microstructure; Diffraction ID HIGH-ENTROPY ALLOYS; STACKING-FAULT ENERGY; RESOLVED SHEAR-STRESS; SECONDARY RECRYSTALLIZATION; ROOM-TEMPERATURE; NICKEL; MICROSTRUCTURE; SEPARATION; SYSTEM; COPPER AB The equiatomic high-entropy alloy FeNiCoCrMn is known to crystallize as a single phase with the face-centered cubic (FCC) crystal structure. To better understand this quinary solid solution alloy, we investigate various binary, ternary and quaternary alloys made from its constituent elements. Our goals are twofold: (i) to investigate which of these lower order systems also form solid solution alloys consisting of a single FCC phase, and (ii) to characterize their phase stability and recovery, recrystallization, and grain growth behaviors. X-ray diffraction (XRD) and scanning electron microscopy with backscattered electron images showed that three of the five possible quaternaries (FeNiCoCr, FeNiCoMn and NiCoCrMn), five of the ten possible ternaries (FeNiCo, FeNiCr, FeNiMn, NiCoCr, and NiCoMn), and two of the ten possible binaries (FeNi and NiCo) were single-phase FCC solid solutions in the cast and homogenized condition, whereas the others either had different crystal structures or were multi-phase. The single-phase FCC quaternary, FeNiCoCr, along with its equiatomic ternary and binary subsidiaries, were selected for further investigations of phase stability and the thermomechanical processing needed to obtain equiaxed grain structures. Only four of these subsidiary alloys-two binaries (FeNi and NiCo) and two ternaries (FeNiCo and NiCoCr)-were found to be single-phase FCC after rolling at room temperature followed by annealing for 1 h at temperatures of 300-1100 degrees C. Pure Ni, which is FCC and one of the constituents of the quinary high-entropy alloy (FeNiCoCrMn), was also investigated for comparison with the higher order alloys. Among the materials investigated after thermomechanical processing (FeNiCoCr, FeNiCo, NiCoCr, FeNi, NiCo, and Ni), FeNiCo and Ni showed abnormal grain growth at relatively low annealing temperatures, while the other four showed normal grain growth behavior. The grain growth exponents for all five of the equiatomic alloys were found to be similar to 0.25 (compared to similar to 0.5 for unalloyed Ni), suggesting that solute drag may control grain growth in the alloys. For all five alloys, as well as for pure Ni, microhardness increases as the grain size decreases in a Hall-Petch type way. The ternary alloy NiCoCr was the hardest of the alloys investigated in this study, even when compared to the quaternary FeNiCoCr alloy. This suggests that solute hardening in equiatomic alloys depends not just on the number of alloying elements but also their type. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Wu, Z.; Otto, F.; Pharr, G. M.; George, E. P.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Bei, H.; Otto, F.; Pharr, G. M.; George, E. P.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP George, EP (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM georgeep@ornl.gov RI George, Easo/L-5434-2014; OI Bei, Hongbin/0000-0003-0283-7990 FU U.S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division; Alexander von Humboldt Foundation through a Feodor Lynen Research Fellowship FX This research was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division. FO also received funding from the Alexander von Humboldt Foundation through a Feodor Lynen Research Fellowship. NR 53 TC 102 Z9 102 U1 32 U2 162 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0966-9795 EI 1879-0216 J9 INTERMETALLICS JI Intermetallics PD MAR PY 2014 VL 46 BP 131 EP 140 DI 10.1016/j.intermet.2013.10.024 PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA AA3WA UT WOS:000331024700022 ER PT J AU Shvartsburg, AA Ibrahim, YM Smith, RD AF Shvartsburg, Alexandre A. Ibrahim, Yehia M. Smith, Richard D. TI Differential Ion Mobility Separations in up to 100 % Helium Using Microchips SO JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY LA English DT Article DE Ion mobility spectrometry; Differential ion mobility spectrometry; FAIMS; Peptides; Lipids ID SPECTROMETRY-MASS SPECTROMETRY; DRIFT-GAS POLARIZABILITY; CARRIER GASES; ANALYZERS; PEPTIDES; FAIMS; PERFORMANCE; CONFORMERS; PROTEINS; FIELDS AB The performance of differential IMS (FAIMS) analyzers is much enhanced by gases comprising He, especially He/N-2 mixtures. However, electrical breakdown has limited the He fraction to similar to 50 %-75 %, depending on the field strength. By the Paschen law, the threshold field for breakdown increases at shorter distances. This allows FAIMS using chips with microscopic channels to utilize much stronger field intensities (E) than "full-size" analyzers with wider gaps. Here we show that those chips can employ higher He fractions up to 100 %. Use of He-rich gases improves the resolution and resolution/sensitivity balance substantially, although less than for full-size analyzers. The optimum He fraction is similar to 80 %, in line with first-principles theory. Hence, one can now measure the dependences of ion mobility on E in pure He, where ion-molecule cross section calculations are much more tractable than in other gases that form deeper and more complex interaction potentials. This capability may facilitate quantitative modeling of high-field ion mobility behavior and, thus, FAIMS separation properties, which would enable a priori extraction of structural information about the ions. C1 [Shvartsburg, Alexandre A.; Ibrahim, Yehia M.; Smith, Richard D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. RP Shvartsburg, AA (reprint author), Pacific NW Natl Lab, Div Biol Sci, POB 999, Richland, WA 99352 USA. EM alexandre.shvartsburg@pnnl.gov RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU PNNL Technology Assistance Program, PNNL Technology Commercialization Office, NIGMS [8 P41 GM103493-10]; USDOE OBER FX The authors thank Owlstone for providing their FAIMS stages, Dr. Keqi Tang, Ronald Moore, Karl Weitz, and Dr. Danielle Toutoungi for major experimental help, Dr. Giorgis Mezengie for the lipid sample, Professor Helen Cooper (University of Birmingham, UK) for the phosphopeptide sample, and Bruce Harrer for useful discussions. This work was supported in part by the PNNL Technology Assistance Program, PNNL Technology Commercialization Office, NIGMS (8 P41 GM103493-10), and the USDOE OBER, and carried out in the Environmental Molecular Sciences Laboratory, a DOE national scientific user facility at PNNL. NR 43 TC 12 Z9 12 U1 5 U2 36 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1044-0305 EI 1879-1123 J9 J AM SOC MASS SPECTR JI J. Am. Soc. Mass Spectrom. PD MAR PY 2014 VL 25 IS 3 BP 480 EP 489 DI 10.1007/s13361-013-0797-4 PG 10 WC Biochemical Research Methods; Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy GA AA1BS UT WOS:000330831900020 PM 24402673 ER PT J AU Merkley, ED Metz, TO Smith, RD Baynes, JW Frizzell, N AF Merkley, Eric D. Metz, Thomas O. Smith, Richard D. Baynes, John W. Frizzell, Norma TI THE SUCCINATED PROTEOME SO MASS SPECTROMETRY REVIEWS LA English DT Review ID TANDEM MASS-SPECTRA; NRF2 ANTIOXIDANT PATHWAY; GLYCATION END-PRODUCTS; GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE; MITOCHONDRIAL STRESS; CHEMICAL-MODIFICATION; ADIPOSE-TISSUE; CARDIOVASCULAR-DISEASE; MULTIPLE-SCLEROSIS; SIGNALING PATHWAY C1 [Merkley, Eric D.; Metz, Thomas O.; Smith, Richard D.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Baynes, John W.; Frizzell, Norma] Univ S Carolina, Sch Med, Dept Pharmacol Physiol & Neurosci, Columbia, SC 29208 USA. RP Frizzell, N (reprint author), Univ S Carolina, Sch Med, Dept Pharmacol Physiol & Neurosci, 6439 Garners Ferry Rd,VA Bldg 1,3rd Floor, Columbia, SC 29208 USA. EM norma.frizzell@uscmed.sc.edu RI Smith, Richard/J-3664-2012; OI Smith, Richard/0000-0002-2381-2349; Merkley, Eric/0000-0002-5486-4723 FU National Institutes of Diabetes, Digestive and Kidney Diseases Research Grants [DK071283, DK19971]; American Diabetes Association Junior Faculty Award [1-11-JF-13]; NIH NIGMS P41 BTRC [RR185220, GM103493-10] FX Contract grant sponsor: National Institutes of Diabetes, Digestive and Kidney Diseases Research Grants; Contract grant numbers: DK071283, DK19971; Contract grant sponsor: American Diabetes Association Junior Faculty Award; Contract grant number: 1-11-JF-13; Contract grant sponsor: NIH NIGMS P41 BTRC; Contract grant numbers: RR185220, GM103493-10. NR 67 TC 17 Z9 17 U1 1 U2 14 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0277-7037 EI 1098-2787 J9 MASS SPECTROM REV JI Mass Spectrom. Rev. PD MAR PY 2014 VL 33 IS 2 SI SI BP 98 EP 109 PG 12 WC Spectroscopy SC Spectroscopy GA AA7QS UT WOS:000331292600002 PM 24115015 ER PT J AU Dendy, JE AF Dendy, J. E., Jr. TI Multigrid methods 2013 SO NUMERICAL LINEAR ALGEBRA WITH APPLICATIONS LA English DT Editorial Material C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Dendy, JE (reprint author), Los Alamos Natl Lab, MS B284, Los Alamos, NM 87545 USA. EM jed@lanl.gov NR 6 TC 0 Z9 0 U1 1 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1070-5325 EI 1099-1506 J9 NUMER LINEAR ALGEBR JI Numer. Linear Algebr. Appl. PD MAR PY 2014 VL 21 IS 2 SI SI BP 175 EP 176 DI 10.1002/nla.1929 PG 2 WC Mathematics, Applied; Mathematics SC Mathematics GA AA6OB UT WOS:000331216600001 ER PT J AU Vassilevski, PS Yang, UM AF Vassilevski, Panayot S. Yang, Ulrike Meier TI Reducing communication in algebraic multigrid using additive variants SO NUMERICAL LINEAR ALGEBRA WITH APPLICATIONS LA English DT Article DE multiplicative multigrid; additive implementation; parallelism; reduced communication ID PARALLEL; PRECONDITIONERS; INTERPOLATION; SOLVER AB Algebraic multigrid (AMG) has proven to be an effective scalable solver on many high performance computers; however, its increasing communication complexity on coarser levels has shown to seriously impact its performance on computers with high communication cost. Additive AMG variants provide not only increased parallelism as well as decreased numbers of messages per cycle but also generally exhibit slower convergence. We present various new additive variants with convergence rates that are significantly improved compared to the classical additive algebraic multigrid method and investigate their potential for decreased communication, and improved communication-computation overlap, features that are essential for good performance on future exascale architectures. Published 2014. This article is a US Government work and is in the public domain in the USA. C1 [Vassilevski, Panayot S.; Yang, Ulrike Meier] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Yang, UM (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave,L-561, Livermore, CA 94550 USA. EM umyang@llnl.gov FU Scientific Discovery through Advanced Computing (SciDAC) program; US Department of Energy, Office of Science, Advanced Scientific Computing Research (and Basic Energy Sciences/Biological and Environmental Research/High Energy Physics/Fusion Energy Sciences/Nuclear Physics); Applied Mathematics Program, DOE ASCR; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX Partial support for this work was provided through Scientific Discovery through Advanced Computing (SciDAC) program funded by US Department of Energy, Office of Science, Advanced Scientific Computing Research (and Basic Energy Sciences/Biological and Environmental Research/High Energy Physics/Fusion Energy Sciences/Nuclear Physics) and by Applied Mathematics Program, DOE ASCR.; This work performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 21 TC 4 Z9 4 U1 0 U2 0 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1070-5325 EI 1099-1506 J9 NUMER LINEAR ALGEBR JI Numer. Linear Algebr. Appl. PD MAR PY 2014 VL 21 IS 2 SI SI BP 275 EP 296 DI 10.1002/nla.1928 PG 22 WC Mathematics, Applied; Mathematics SC Mathematics GA AA6OB UT WOS:000331216600007 ER PT J AU Escamilla-Trevino, L Shen, H Hernandez, T Yin, YB Xu, Y Dixon, R AF Escamilla-Trevino, Luis L. Shen, Hui Hernandez, Timothy Yin, Yanbin Xu, Ying Dixon, Richard A. TI Early lignin pathway enzymes and routes to chlorogenic acid in switchgrass (Panicum virgatum L.) SO PLANT MOLECULAR BIOLOGY LA English DT Article DE Phenylpropanoid pathway; Lignin; Flavonoids; Chlorogenic acid ID MULTIPLE SEQUENCE ALIGNMENT; FERMENTABLE SUGAR YIELDS; MEDICAGO-SATIVA L.; DOWN-REGULATION; PHENYLPROPANOID BIOSYNTHESIS; FUNCTIONAL-CHARACTERIZATION; HYDROXYCINNAMOYL-COENZYME; MONOLIGNOL BIOSYNTHESIS; BIOFUEL PRODUCTION; UNITED-STATES AB Studying lignin biosynthesis in Panicum virgatum (switchgrass) has provided a basis for generating plants with reduced lignin content and increased saccharification efficiency. Chlorogenic acid (CGA, caffeoyl quinate) is the major soluble phenolic compound in switchgrass, and the lignin and CGA biosynthetic pathways potentially share intermediates and enzymes. The enzyme hydroxycinnamoyl-CoA: quinate hydroxycinnamoyltransferase (HQT) is responsible for CGA biosynthesis in tobacco, tomato and globe artichoke, but there are no close orthologs of HQT in switchgrass or in other monocotyledonous plants with complete genome sequences. We examined available transcriptomic databases for genes encoding enzymes potentially involved in CGA biosynthesis in switchgrass. The protein products of two hydroxycinnamoyl-CoA shikimate/quinate hydroxycinnamoyltransferase (HCT) genes (PvHCT1a and PvHCT2a), closely related to lignin pathway HCTs from other species, were characterized biochemically and exhibited the expected HCT activity, preferring shikimic acid as acyl acceptor. We also characterized two switchgrass coumaroyl shikimate 3'-hydroxylase (C3'H) enzymes (PvC3'H1 and PvC3'H2); both of these cytochrome P450s had the capacity to hydroxylate 4-coumaroyl shikimate or 4-coumaroyl quinate to generate caffeoyl shikimate or CGA. Another switchgrass hydroxycinnamoyl transferase, PvHCT-Like1, is phylogenetically distant from HCTs or HQTs, but exhibits HQT activity, preferring quinic acid as acyl acceptor, and could therefore function in CGA biosynthesis. The biochemical features of the recombinant enzymes, the presence of the corresponding activities in plant protein extracts, and the expression patterns of the corresponding genes, suggest preferred routes to CGA in switchgrass. C1 [Escamilla-Trevino, Luis L.; Shen, Hui; Hernandez, Timothy; Dixon, Richard A.] Samuel Roberts Noble Fdn Inc, Div Plant Biol, Ardmore, OK 73401 USA. [Escamilla-Trevino, Luis L.; Shen, Hui; Hernandez, Timothy; Yin, Yanbin; Xu, Ying; Dixon, Richard A.] BioEnergy Sci Ctr, Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Escamilla-Trevino, Luis L.; Shen, Hui; Dixon, Richard A.] Univ N Texas, Dept Biol Sci, Denton, TX 76203 USA. RP Dixon, R (reprint author), Univ N Texas, Dept Biol Sci, 1155 Union Circle 305220, Denton, TX 76203 USA. EM Richard.Dixon@unt.edu FU BioEnergy Science Center, a US Department of Energy Bioenergy Research Center; Office of Biological and Environmental Research in the DOE Office of Science FX We thank Drs. Jerome Verdier and Lina Gallego-Giraldo for critical reading of the manuscript. This work was supported by the BioEnergy Science Center, a US Department of Energy Bioenergy Research Center supported by the Office of Biological and Environmental Research in the DOE Office of Science. NR 41 TC 14 Z9 15 U1 2 U2 55 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0167-4412 EI 1573-5028 J9 PLANT MOL BIOL JI Plant Mol.Biol. PD MAR PY 2014 VL 84 IS 4-5 BP 565 EP 576 DI 10.1007/s11103-013-0152-y PG 12 WC Biochemistry & Molecular Biology; Plant Sciences SC Biochemistry & Molecular Biology; Plant Sciences GA AA3HG UT WOS:000330982900015 PM 24190737 ER PT J AU Kim, WC Reca, IB Kim, Y Park, S Thomashow, M Keegstra, K Han, KH AF Kim, Won-Chan Reca, Ida-Barbara Kim, YongSig Park, Sunchung Thomashow, Michael F. Keegstra, Kenneth Han, Kyung-Hwan TI Transcription factors that directly regulate the expression of CSLA9 encoding mannan synthase in Arabidopsis thaliana SO PLANT MOLECULAR BIOLOGY LA English DT Article DE CSLA9; Mannan synthase; MYB46; Transcription factor ID SECONDARY WALL BIOSYNTHESIS; PLANT-CELL WALL; CELLULOSE SYNTHASES; FAMILY-MEMBERS; DIRECT TARGET; GENE FAMILY; MYB46; POLYSACCHARIDES; IDENTIFICATION; SUPERFAMILY AB Mannans are hemicellulosic polysaccharides that have a structural role and serve as storage reserves during plant growth and development. Previous studies led to the conclusion that mannan synthase enzymes in several plant species are encoded by members of the cellulose synthase-like A (CSLA) gene family. Arabidopsis has nine members of the CSLA gene family. Earlier work has shown that CSLA9 is responsible for the majority of glucomannan synthesis in both primary and secondary cell walls of Arabidopsis inflorescence stems. Little is known about how expression of the CLSA9 gene is regulated. Sequence analysis of the CSLA9 promoter region revealed the presence of multiple copies of a cis-regulatory motif (M46RE) recognized by transcription factor MYB46, leading to the hypothesis that MYB46 (At5g12870) is a direct regulator of the mannan synthase CLSA9. We obtained several lines of experimental evidence in support of this hypothesis. First, the expression of CSLA9 was substantially upregulated by MYB46 overexpression. Second, electrophoretic mobility shift assay (EMSA) was used to demonstrate the direct binding of MYB46 to the promoter of CSLA9 in vitro. This interaction was further confirmed in vivo by a chromatin immunoprecipitation assay. Finally, over-expression of MYB46 resulted in a significant increase in mannan content. Considering the multifaceted nature of MYB46-mediated transcriptional regulation of secondary wall biosynthesis, we reasoned that additional transcription factors are involved in the CSLA9 regulation. This hypothesis was tested by carrying out yeast-one hybrid screening, which identified ANAC041 and bZIP1 as direct regulators of CSLA9. Transcriptional activation assays and EMSA were used to confirm the yeast-one hybrid results. Taken together, we report that transcription factors ANAC041, bZIP1 and MYB46 directly regulate the expression of CSLA9. C1 [Kim, Won-Chan; Han, Kyung-Hwan] Michigan State Univ, Dept Hort, E Lansing, MI 48824 USA. [Kim, Won-Chan; Han, Kyung-Hwan] Michigan State Univ, Dept Forestry, E Lansing, MI 48824 USA. [Kim, Won-Chan; Reca, Ida-Barbara; Keegstra, Kenneth; Han, Kyung-Hwan] Michigan State Univ, DOE Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. [Kim, Won-Chan; Park, Sunchung; Thomashow, Michael F.; Keegstra, Kenneth] Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. RP Han, KH (reprint author), Michigan State Univ, Dept Hort, 126 Nat Resources, E Lansing, MI 48824 USA. EM hanky@msu.edu FU DOE Great Lakes Bioenergy Research Center (DOE Office of Science) [BER DR-FC02-07ER64494]; Ministry of Education, Science and Technology of Korea via the World Class University Project at Chonnam National University [R31-2009-000-20025-0]; Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy [DE-FG02-91ER20021] FX This work was funded by the DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER DR-FC02-07ER64494) and in part by the Ministry of Education, Science and Technology of Korea via the World Class University Project at Chonnam National University (R31-2009-000-20025-0). Construction of the PRL TF-AD library was funded by Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy (award number DE-FG02-91ER20021) to MFT. The authors would like to thank Linda Danhof and Joshua Temple at the Arabidopsis Service Center of the Great Lakes Bioenergy Research Center (GLBRC) at Michigan State University for technical help in genotyping T-DNA insertion lines and transformation of Arabidopsis, Cliff Foster at the Cell Wall Analytical Platform of the GLBRC at Michigan State University for technical help in analysis of matrix neutral monosaccharide composition. NR 38 TC 7 Z9 10 U1 3 U2 33 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0167-4412 EI 1573-5028 J9 PLANT MOL BIOL JI Plant Mol.Biol. PD MAR PY 2014 VL 84 IS 4-5 BP 577 EP 587 DI 10.1007/s11103-013-0154-9 PG 11 WC Biochemistry & Molecular Biology; Plant Sciences SC Biochemistry & Molecular Biology; Plant Sciences GA AA3HG UT WOS:000330982900016 PM 24243147 ER PT J AU Klymko, C Sullivan, BD Humble, TS AF Klymko, Christine Sullivan, Blair D. Humble, Travis S. TI Adiabatic quantum programming: minor embedding with hard faults SO QUANTUM INFORMATION PROCESSING LA English DT Article DE Quantum computing; Adiabatic quantum optimization; Graph embedding; Fault-tolerant computing ID ALGORITHMS; TREEWIDTH AB Adiabatic quantum programming defines the time-dependent mapping of a quantum algorithm into an underlying hardware or logical fabric. An essential step is embedding problem-specific information into the quantum logical fabric. We present algorithms for embedding arbitrary instances of the adiabatic quantum optimization algorithm into a square lattice of specialized unit cells. These methods extend with fabric growth while scaling linearly in time and quadratically in footprint. We also provide methods for handling hard faults in the logical fabric without invoking approximations to the original problem and illustrate their versatility through numerical studies of embeddability versus fault rates in square lattices of complete bipartite unit cells. The studies show that these algorithms are more resilient to faulty fabrics than naive embedding approaches, a feature which should prove useful in benchmarking the adiabatic quantum optimization algorithm on existing faulty hardware. C1 [Klymko, Christine] Emory Univ, Dept Math & Comp Sci, Atlanta, GA 30322 USA. [Sullivan, Blair D.; Humble, Travis S.] Oak Ridge Natl Lab, Quantum Comp Inst, Oak Ridge, TN 37831 USA. RP Humble, TS (reprint author), Oak Ridge Natl Lab, Quantum Comp Inst, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM cklymko@emory.edu; blair_sullivan@ncsu.edu; humblets@ornl.gov FU Lockheed Martin Corporation [NFE-11-03394]; U.S. Government [DE-AC05-00OR22725] FX This work was supported by the Lockheed Martin Corporation under Contract No. NFE-11-03394. The authors thank Greg Tallant (Lockheed) for technical interchange and Daniel Pack (ORNL) for help preparing Fig. 2. This manuscript has been authored by a contractor of the U.S. Government under Contract No. DE-AC05-00OR22725. Accordingly, the U.S. Government retains a nonexclusive, royalty-free license to publish or reproduce the published form of this contribution, or allow others to do so, for U.S. Government purposes. NR 25 TC 11 Z9 11 U1 0 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1570-0755 EI 1573-1332 J9 QUANTUM INF PROCESS JI Quantum Inf. Process. PD MAR PY 2014 VL 13 IS 3 BP 709 EP 729 DI 10.1007/s11128-013-0683-9 PG 21 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA AA6IN UT WOS:000331202100009 ER PT J AU Dzyuba, A Cooley, LD AF Dzyuba, A. Cooley, L. D. TI Combined effects of cold work and chemical polishing on the absorption and release of hydrogen from SRF cavities inferred from resistance measurements of cavity-grade niobium bars SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article DE supercondictivity; niobium; SRF cavity; electropolishing; linear collider ID PARTICLE ACCELERATORS; HYDRIDE PRECIPITATION; SYSTEM; RESISTIVITY; DIFFUSION; NB; INTERSTITIALS; EMBRITTLEMENT; DISLOCATIONS; NITROGEN AB A series of small fine-grained and single-crystal bars, with strain from 0% (recrystallized) to 50%, were given different amounts of chemical polishing. Four-point resistivity (rho) data was used to characterize the electron scattering from dislocations, hydrogen, and any other trace contaminants. As noted by previous studies, annealed Nb displayed a weak linear increase of rho (11 K) with polishing time due to hydrogen absorption, and bulk hydrogen concentration did not exceed 15% for 200 mu m metal removed. Cold-worked samples displayed steeper slopes with polishing time (after subtracting resistivity due to strain alone), suggesting that dislocations assist the absorption of hydrogen during polishing. Absorption accelerated above 30% strain and 100 mu m material removal, with room-temperature hydrogen concentration rising rapidly from 2% up to 5%. This threshold is significant, since superconducting radio-frequency (SRF) cavities are usually polished as-formed, with > 35% strain, and polishing removes > 150 mu m of metal. Resistance jumps between 40 and 150 K, which signal the formation of hydride precipitates, were stronger in cold-worked samples, suggesting that dislocations also assist precipitate nucleation. High-vacuum anneals at 800 degrees C for 2 h, which are known to fully recrystallize cavity-grade niobium and de-gas hydrogen, removed the 40-150 K jumps and recovered the resistivity increase due to chemical polishing entirely. But, about 30% of the resistivity increase due to cold work remained, possibly due to residual dislocation clusters. Continued annealing only facilitated the diffusion of surface impurities into the bulk and did not recover the initial 0% state. Strain, polishing, and annealing thus appear to combine as irreversible paths that change the material. Bearing this in mind, the significant difference in hydrogen uptake between annealed and cold-worked samples suggests that annealing SRF cavities prior to chemical polishing could greatly reduce hydrogen uptake and storage in the metal, reducing risk of quality-factor loss. This inverts key steps of the present widely-used cavity processing sequence. C1 [Dzyuba, A.; Cooley, L. D.] Fermilab Natl Accelerator Lab, Superconducting Mat Dept, Tech Div, Batavia, IL 60510 USA. [Dzyuba, A.] Novosibirsk State Univ, Novosibirsk 630090, Russia. RP Dzyuba, A (reprint author), Fermilab Natl Accelerator Lab, Superconducting Mat Dept, Tech Div, POB 500, Batavia, IL 60510 USA. EM dzyuba@fnal.gov RI Cooley, Lance/E-7377-2015 OI Cooley, Lance/0000-0003-3488-2980 FU 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. The authors would like to thank D Ford, A Romanenko, F Barkov, and H Padamsee for stimulating discussions. Chemical work was carried out with the kind assistance of D Hicks, R Schuessler, and C Thompson. Heat treatment work has been aided by A Rowe, D Bice and M Wong. NR 62 TC 3 Z9 3 U1 1 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-2048 EI 1361-6668 J9 SUPERCOND SCI TECH JI Supercond. Sci. Technol. PD MAR PY 2014 VL 27 IS 3 AR 035001 DI 10.1088/0953-2048/27/3/035001 PG 12 WC Physics, Applied; Physics, Condensed Matter SC Physics GA AA5OK UT WOS:000331149100001 ER PT J AU Masson, Y Pride, SR AF Masson, Yder Pride, Steven R. TI A Fast Algorithm for Invasion Percolation SO TRANSPORT IN POROUS MEDIA LA English DT Article DE Two-phase flow; Invasion percolation; Numerical simulation ID POROUS-MEDIA; MODEL; FLOW AB We present a computationally fast Invasion Percolation (IP) algorithm. IP is a numerical approach for generating realistic fluid distributions for quasi-static (i.e., slow) immiscible fluid invasion in porous media. The algorithm proposed here uses a binary-tree data structure to identify the site (pore) connected to the invasion cluster that is the next to be invaded. Gravity is included. Trapping is not explicitly treated in the numerical examples but can be added, for example, using a Hoshen-Kopelman algorithm. Computation time to percolation for a 3D system having total sites and invaded sites at percolation goes as for the proposed binary-tree algorithm and as for a standard implementation of IP that searches through all of the uninvaded sites at each step. The relation between and is , where is the fractal dimension of an infinite cluster and is Euclidean space dimension. In numerical practice, on finite-sized cubic lattices with invasion structures influenced by the injection boundary and boundary conditions lateral to the flow direction, we observe the scaling in 3D (valid through the second decimal place) instead of based on the infinite cluster fractal dimension D = 2.53. C1 [Masson, Yder] Inst Phys Globe Paris, Paris, France. [Pride, Steven R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Pride, SR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM masson@ipgp.fr; srpride@lbl.gov OI masson, yder/0000-0001-6884-8823 FU Center for Nanoscale Control of Geologic CO2, an Energy Frontier Research Center; LBNL Geophysics Cluster; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-ACO2-05CH11231]; European Community's 7th Framework Program (FP-7-IDEAS-ERC), ERC Advanced Grant (WAVETOMO) FX This material is based upon work supported as part of the Center for Nanoscale Control of Geologic CO2, an Energy Frontier Research Center and as part of the LBNL Geophysics Cluster, both funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-ACO2-05CH11231. Y. Masson has recently been supported through the European Community's 7th Framework Program (FP-7-IDEAS-ERC), ERC Advanced Grant (WAVETOMO). NR 17 TC 4 Z9 4 U1 1 U2 12 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0169-3913 EI 1573-1634 J9 TRANSPORT POROUS MED JI Transp. Porous Media PD MAR PY 2014 VL 102 IS 2 BP 301 EP 312 DI 10.1007/s11242-014-0277-8 PG 12 WC Engineering, Chemical SC Engineering GA AA3IC UT WOS:000330985100009 ER PT J AU Yan, MQ Korshin, GV Chang, HS AF Yan, Mingquan Korshin, Gregory V. Chang, Hyun-Shik TI Examination of disinfection by-product (DBP) formation in source waters: A study using log-transformed differential spectra SO WATER RESEARCH LA English DT Article DE Absorbance; DBPs; Dissolved organic matter (DOM); Halogenation; Log-transformation ID DISSOLVED ORGANIC-MATTER; AQUATIC HUMIC SUBSTANCES; DRINKING-WATER; TRIHALOMETHANE FORMATION; ABSORBENCY SPECTROSCOPY; NOM CHLORINATION; THM FORMATION; BINDING; MODELS; GENOTOXICITY AB Formation of disinfection by-products (DBPs) in ten drinking source waters located in the United States was examined in this study. DBP generation was interpreted in the context of halogenation-induced changes of log-transformed absorbance spectra of dissolved organic matter (DOM) present in the waters. This approach allows probing the behavior of relatively minor structures that can be highly sensitive towards any process of interest, notably DOM halogenation. This concept was applied to examine effects of chlorination time on the kinetics of chlorine consumption and release of several DBP groups such as total trihalomethanes (THM4, including CHCl3, CHCl2Br, CHClBr2 and CHBr3), haloacetic acids (HAA(9), including MCAA, MBAA, DCAA, TCAA, BCAA, DBAA, BDCAA, DBCAA and TBAA), haloacetonitriles (THAN(4), including TCAN, DCAN, BCAN and DBAN), haloketones (HK2, including DCP and TCP), chloral hydrate (CH) and chloropicrin (CPN). Two alternative parameters, namely the differential logarithm of DOM absorbance at 350 nm (DLnA(350)) and change of the spectral slope in the range of wavelengths 325-375 nm (DSlope(325-375)) were introduced to quantify individual DBP species formed and Cl-2 consumption. DLnA(350) and DSlope(325-375), especially DLnA(350) were determined to be more reliable than differential absorbance at 272 nm that was utilized in prior applications of differential spectroscopy to characterize DBP formation. Strong linear relationships between DLnA(350) values and concentrations of major groups of and individual DBP species (e.g. THM4, HAA(9), HAN(4) and CPN were found to exist (mostly, R-2 > 0.95) and the intercept of these correlations with the y-axis was near zero for the examined water sources. Correlations between DLnA(350) values and concentrations of CH and HK2 were also strong but they were nonlinear. The slope of the correlations between the concentrations of major groups of DBP species vs-DLnA(350) were also well correlated with SUVA(254) and LnA(350) for all the examined source waters. It indicates that log-transformations of the absorbance spectra of surface water and parameters based on such transformations (e.g., DLnA(350) and DSlope(325-375)) have a potential to provide an alternative reliable approach to monitor the halogenation of DOM and attendant formation of individual DBP species. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Yan, Mingquan] Peking Univ, Key Lab Water & Sediment Sci, Dept Environm Engn, Minist Educ, Beijing 100871, Peoples R China. [Korshin, Gregory V.] Univ Washington, Dept Civil & Environm Engn, Seattle, WA 98195 USA. [Chang, Hyun-Shik] Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Yan, MQ (reprint author), Peking Univ, Coll Environm Sci & Engn, Dept Environm Engn, Beijing 100871, Peoples R China. EM yanmq@pku.edu.cn FU American Water Works Association Research Foundation [2597]; China NSF [21277005] FX This study was supported by American Water Works Association Research Foundation (Project #2597). Further work on the results was supported by China NSF (grant 21277005). The views represented in this publication do not necessarily represent those of the funding agencies. The authors are grateful to Professor Mark M. Benjamin for his advice and critique of the manuscript. NR 39 TC 11 Z9 13 U1 10 U2 94 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0043-1354 J9 WATER RES JI Water Res. PD MAR 1 PY 2014 VL 50 BP 179 EP 188 DI 10.1016/j.watres.2013.11.028 PG 10 WC Engineering, Environmental; Environmental Sciences; Water Resources SC Engineering; Environmental Sciences & Ecology; Water Resources GA AA2FD UT WOS:000330909600018 PM 24374129 ER PT J AU Bhat, R Bissell, MJ AF Bhat, Ramray Bissell, Mina J. TI Of plasticity and specificity: dialectics of the microenvironment and macroenvironment and the organ phenotype SO WILEY INTERDISCIPLINARY REVIEWS-DEVELOPMENTAL BIOLOGY LA English DT Review ID MAMMARY EPITHELIAL-CELLS; GLAND BRANCHING MORPHOGENESIS; EPIDERMAL-GROWTH-FACTOR; HUMAN BREAST CELLS; EXTRACELLULAR-MATRIX; BASEMENT-MEMBRANE; GENE-EXPRESSION; IN-VIVO; 3-DIMENSIONAL CULTURE; CANCER-CELLS AB The study of biological form and how it arises is the domain of the developmental biologists; but once the form is achieved, the organ poses a fascinating conundrum for all the life scientists: how are form and function maintained in adult organs throughout most of the life of the organism? That they do appears to contradict the inherently plastic nature of organogenesis during development. How do cells with the same genetic information arrive at, and maintain such different architectures and functions, and how do they keep remembering that they are different from each other? It is now clear that narratives based solely on genes and an irreversible regulatory dynamics cannot answer these questions satisfactorily, and the concept of microenvironmental signaling needs to be added to the equation. During development, cells rearrange and differentiate in response to diffusive morphogens, juxtacrine signals, and the extracellular matrix (ECM). These components, which constitute the modular microenvironment, are sensitive to cues from other tissues and organs of the developing embryo as well as from the external macroenvironment. On the other hand, once the organ is formed, these modular constituents integrate and constrain the organ architecture, which ensures structural and functional homeostasis and therefore, organ specificity. We argue here that a corollary of the above is that once the organ architecture is compromised in adults by mutations or by changes in the microenvironment such as aging or inflammation, that organ becomes subjected to the developmental and embryonic circuits in search of a new identity. But since the microenvironment is no longer embryonic, the confusion leads to cancer: hence as we have argued, tumors become new evolutionary organs perhaps in search of an elusive homeostasis. (C) 2013 Wiley Periodicals, Inc. C1 [Bhat, Ramray; Bissell, Mina J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Canc & DNA Damage Responses, Div Life Sci, Berkeley, CA 94720 USA. RP Bissell, MJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Canc & DNA Damage Responses, Div Life Sci, Berkeley, CA 94720 USA. EM mjbissell@lbl.gov FU U.S. Department of Energy, OBER Office of Biological and Environmental Research and Low Dose Scientific Focus Area; National Cancer Institute; Breast Cancer Research Foundation; U.S. Department of Defense; Susan G. Komen for the Cure FX The work from M.J.B.'s laboratory has been supported by grants from the U.S. Department of Energy, OBER Office of Biological and Environmental Research and Low Dose Scientific Focus Area, by multiple grants from the National Cancer Institute, by a grant from Breast Cancer Research Foundation, and by two 'Innovator awards' from the U.S. Department of Defense. R.B. is supported by a postdoctoral fellowship from Susan G. Komen for the Cure. The authors would like to thank Stuart A. Newman, Irene Kuhn, Joni Mott, Kandice Tanner, and the two anonymous reviewers of the first submission of this essay, for critical reading of this essay and providing helpful suggestions. NR 131 TC 12 Z9 14 U1 2 U2 26 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1759-7684 EI 1759-7692 J9 WIRES DEV BIOL JI Wiley Interdiscip. Rev.-Dev. Biol. PD MAR-APR PY 2014 VL 3 IS 2 BP 147 EP 163 DI 10.1002/wdev.130 PG 17 WC Developmental Biology SC Developmental Biology GA AA4GJ UT WOS:000331053700001 PM 24719287 ER PT J AU Bedewi, AEL Miller, L AF Bedewi, Ahmed E. L. Miller, Lisa TI Discrimination Between Paraffin-Embedded and Frozen Skin Sections Using Synchrotron Infrared Microspectroscopy SO INTERNATIONAL JOURNAL OF PEPTIDE RESEARCH AND THERAPEUTICS LA English DT Article DE Frozen; Paraffin; Synchrotron; SIRM ID SPECTROSCOPY; CELLS AB The difference between paraffin-embedded and frozen skin sections is always questionable. Ten patients of early stage mycosis fungoides, ten patients with psoriasis and ten normal controls were included in this study. Aim of this study is to differentiate between paraffin-embedded and frozen skin sections in inflammatory and malignant dermatoses using synchrotron infrared microspectroscopy (SIRM). It was found that epidermal beta sheets in paraffin-embedded sections were higher in a highly significant manner than frozen sections (P < 0.001). Also, epidermal nucleic acids in paraffin-embedded sections were lower in a highly significant manner than frozen sections (P < 0.001). However, when various skin diseases were compared with the control. It was found that the difference between paraffin-embedded and frozen skin sections were almost similar. In conclusion SIRM is a unique promising diagnostic technique and it seems that frozen processing preserve skin tissue more, this was represented by less apoptosis (beta sheets) and more nucleic acids than paraffin processing. However, there are still many advantages of both approaches over the other depending on the goal of the study. C1 [Bedewi, Ahmed E. L.] Egyptian Atom Energy Author, Natl Ctr Radiat Res & Technol, Dermatol Sect, Cairo, Egypt. [Bedewi, Ahmed E. L.; Miller, Lisa] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. RP Bedewi, AEL (reprint author), Egyptian Atom Energy Author, Natl Ctr Radiat Res & Technol, Dermatol Sect, Cairo, Egypt. EM aelbedewi@gmail.com NR 9 TC 1 Z9 1 U1 0 U2 6 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1573-3149 EI 1573-3904 J9 INT J PEPT RES THER JI Int. J. Pept. Res. Ther. PD MAR PY 2014 VL 20 IS 1 BP 13 EP 17 DI 10.1007/s10989-013-9361-0 PG 5 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 302XO UT WOS:000330638600002 ER PT J AU Gevorgyan, SA Zubillaga, O de Seoane, JMV Machado, M Parlak, EA Tore, N Voroshazi, E Aernouts, T Mullejans, H Bardizza, G Taylor, N Verhees, W Kroon, JM Morvillo, P Minarini, C Roca, F Castro, FA Cros, S Lechene, B Trigo, JF Guillen, C Herrero, J Zimmermann, B Sapkota, SB Veit, C Wurfel, U Tuladhar, PS Durrant, JR Winter, S Rousu, S Valimaki, M Hinrichs, V Cowan, SR Olson, DC Sommer-Larsen, P Krebs, FC AF Gevorgyan, Suren A. Zubillaga, Oihana Maria Vega de Seoane, Jose Machado, Maider Parlak, Elif Alturk Tore, Nesrin Voroshazi, Eszter Aernouts, Tom Muellejans, Harald Bardizza, Giorgio Taylor, Nigel Verhees, Wiljan Kroon, Jan M. Morvillo, Pasquale Minarini, Carla Roca, Francesco Castro, Fernando A. Cros, Stephane Lechene, Balthazar Trigo, Juan F. Guillen, Cecilia Herrero, Jose Zimmermann, Birger Sapkota, Subarna Babu Veit, Clemens Wuerfel, Uli Tuladhar, Pabitra S. Durrant, James R. Winter, Stefan Rousu, Sanna Valimaki, Marja Hinrichs, Volker Cowan, Sarah R. Olson, Dana C. Sommer-Larsen, Peter Krebs, Frederik C. TI Round robin performance testing of organic photovoltaic devices SO RENEWABLE ENERGY LA English DT Article DE Organic photovoltaic; Round robin; I-V characterization; Standard testing conditions; Intercomparability ID INTER-LABORATORY COLLABORATION; VARIETY; DEGRADATION; STABILITY; POLYMER; CELL AB This study addresses the issue of poor intercomparability of measurements of organic photovoltaic (OPV) devices among different laboratories. We present a round robin performance testing of novel OPV devices among 16 laboratories, organized within the framework of European Research Infrastructure Project (SOPHIA) and European Energy Research Alliance (EERA). Three types of OPVs with different structures, dimensions and encapsulations are studied and compared with reference Si solar cells certified by accredited laboratories. The agreement of the measurements of these among different laboratories is analyzed by focusing on testing procedures, testing equipment and sample designs. A number of deviations and pitfalls are revealed and based on the analyses, a set of recommendations are suggested for improving the agreement among the measurements of such OPV technologies. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Gevorgyan, Suren A.; Sommer-Larsen, Peter; Krebs, Frederik C.] Tech Univ Denmark, Dept Energy Convers & Storage, CLOP, DK-4000 Roskilde, Denmark. [Zubillaga, Oihana; Maria Vega de Seoane, Jose; Machado, Maider] TECNALIA Res & Innovat, San Sebastian 20009, Spain. [Parlak, Elif Alturk; Tore, Nesrin] Natl Metrol Inst, TUBITAK, TR-41470 Gebze, Kocaeli, Turkey. [Voroshazi, Eszter; Aernouts, Tom] IMEC, B-3000 Louvain, Belgium. [Muellejans, Harald; Bardizza, Giorgio; Taylor, Nigel] European Solar Test Installat, Joint Res Ctr, I-21027 Ispra, VA, Italy. [Verhees, Wiljan; Kroon, Jan M.] ECN Solliance, NL-5656 AE Eindhoven, Netherlands. [Morvillo, Pasquale; Minarini, Carla; Roca, Francesco] Agenzia Nazl Nuove Tecnol Energia & Sviluppo Econ, ENEA, I-80055 Portici, Italy. [Castro, Fernando A.] Natl Phys Lab, Div Mat, Teddington TW11 0LW, Middx, England. [Cros, Stephane; Lechene, Balthazar] CEA DRT LITEN DTS LMPV, Natl Inst Solar Energy INES, F-73377 Le Bourget Du Lac, France. [Trigo, Juan F.; Guillen, Cecilia; Herrero, Jose] CIEMAT, Renewable Energy Div, E-28040 Madrid, Spain. [Zimmermann, Birger; Sapkota, Subarna Babu; Veit, Clemens; Wuerfel, Uli] Fraunhofer Inst Solar Energy Syst ISE, D-79110 Freiburg, Germany. [Tuladhar, Pabitra S.; Durrant, James R.] Univ London Imperial Coll Sci Technol & Med, Ctr Plast Elect, London SW7 2AZ, England. [Tuladhar, Pabitra S.; Durrant, James R.] Univ London Imperial Coll Sci Technol & Med, Dept Chem, London SW7 2AZ, England. [Winter, Stefan] PTB, D-38116 Braunschweig, Germany. [Rousu, Sanna; Valimaki, Marja] VTT Tech Res Ctr Finland, Oulu 90570, Finland. [Hinrichs, Volker] Helmholtz Zentrum Berlin Mat & Energie, D-14109 Berlin, Germany. [Cowan, Sarah R.; Olson, Dana C.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Gevorgyan, SA (reprint author), Tech Univ Denmark, Dept Energy Convers & Storage, CLOP, Frederiksborgvej 399, DK-4000 Roskilde, Denmark. EM surg@dtu.dk RI Guillen, Cecilia/H-8019-2013; Herrero, Jose/K-2711-2014; Trigo, Juan/C-3750-2008; Castro, Fernando/A-4253-2008; OI Guillen, Cecilia/0000-0002-7928-8240; Herrero, Jose/0000-0002-2680-7019; Trigo, Juan/0000-0001-5842-6918; Castro, Fernando/0000-0002-2409-8300; Gevorgyan, Suren/0000-0001-9906-5485; Wurfel, Uli/0000-0003-4151-8538; Krebs, Frederik C/0000-0003-1148-4314 FU European Research Infrastructure (SOPHIA); European Energy Research Alliance (EERA); EUDP [64011-0002]; UK Department for Business, Innovation and Skills FX European Research Infrastructure (SOPHIA) and European Energy Research Alliance (EERA) are acknowledged for the support; This work has been supported by EUDP (j.no. 64011-0002); Komlan Anika is acknowledged for performing the measurements at ESTI; This work has been supported by the UK Department for Business, Innovation and Skills; Antonio Romano and Aniello Borriello are acknowledged for technical support at ENEA. NR 19 TC 9 Z9 9 U1 3 U2 49 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0960-1481 J9 RENEW ENERG JI Renew. Energy PD MAR PY 2014 VL 63 BP 376 EP 387 DI 10.1016/j.renene.2013.09.034 PG 12 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA 300TY UT WOS:000330488100043 ER PT J AU Frank, M Carlson, DB Hunter, MS Williams, GJ Messerschmidt, M Zatsepin, NA Barty, A Benner, WH Chu, KQ Graf, AT Hau-Riege, SP Kirian, RA Padeste, C Pardini, T Pedrini, B Segelke, B Seibert, MM Spence, JCH Tsai, CJ Lane, SM Li, XD Schertler, G Boutet, S Coleman, M Evans, JE AF Frank, Matthias Carlson, David B. Hunter, Mark S. Williams, Garth J. Messerschmidt, Marc Zatsepin, Nadia A. Barty, Anton Benner, W. Henry Chu, Kaiqin Graf, Alexander T. Hau-Riege, Stefan P. Kirian, Richard A. Padeste, Celestino Pardini, Tommaso Pedrini, Bill Segelke, Brent Seibert, M. Marvin Spence, John C. H. Tsai, Ching-Ju Lane, Stephen M. Li, Xiao-Dan Schertler, Gebhard Boutet, Sebastien Coleman, Matthew Evans, James E. TI Femtosecond X-ray diffraction from two-dimensional protein crystals SO IUCRJ LA English DT Article DE two-dimensional protein crystal; femtosecond crystallography; single layer X-ray diffraction; membrane protein ID BACTERIORHODOPSIN; CRYSTALLOGRAPHY; CRYSTALLIZATION; MONOLAYERS; MODEL AB X-ray diffraction patterns from two-dimensional (2-D) protein crystals obtained using femtosecond X-ray pulses from an X-ray free-electron laser (XFEL) are presented. To date, it has not been possible to acquire transmission X-ray diffraction patterns from individual 2-D protein crystals due to radiation damage. However, the intense and ultrafast pulses generated by an XFEL permit a new method of collecting diffraction data before the sample is destroyed. Utilizing a diffract-before-destroy approach at the Linac Coherent Light Source, Bragg diffraction was acquired to better than 8.5 angstrom resolution for two different 2-D protein crystal samples each less than 10 nm thick and maintained at room temperature. These proof-of-principle results show promise for structural analysis of both soluble and membrane proteins arranged as 2-D crystals without requiring cryogenic conditions or the formation of three-dimensional crystals. C1 [Frank, Matthias; Hunter, Mark S.; Benner, W. Henry; Graf, Alexander T.; Hau-Riege, Stefan P.; Pardini, Tommaso; Segelke, Brent; Coleman, Matthew] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Carlson, David B.; Evans, James E.] Univ Calif Davis, Dept Mol & Cellular Biol, Davis, CA 95616 USA. [Williams, Garth J.; Messerschmidt, Marc; Seibert, M. Marvin; Boutet, Sebastien] Linac Coherent Light Source, Menlo Pk, CA 94025 USA. [Zatsepin, Nadia A.; Spence, John C. H.] Arizona State Univ, Tempe, AZ 85287 USA. [Barty, Anton; Kirian, Richard A.] Univ Hamburg, Ctr Free Electron Laser Sci, D-22761 Hamburg, Germany. [Chu, Kaiqin; Lane, Stephen M.] Ctr Biophoton, Sacramento, CA 95817 USA. [Padeste, Celestino; Pedrini, Bill; Tsai, Ching-Ju; Li, Xiao-Dan; Schertler, Gebhard] Paul Scherrer Inst, CH-5232 Villigen, Switzerland. [Evans, James E.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA. RP Frank, M (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM frank1@llnl.gov; james.evans@pnnl.gov RI Schertler, Gebhard/M-9512-2014; OI Seibert, Mark Marvin/0000-0003-0251-0744; Coleman, Matthew/0000-0003-1389-4018; Schertler, Gebhard F.X./0000-0002-5846-6810 FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Pacific Northwest National Laboratory [DE-AC05-76RL01830]; UCOP Lab Fee Program [118036]; NIH [5RC1GM091755]; NSF award [MCB-1021557]; NSF STC award [1231306]; LLNL Lab-Directed Research and Development Project [012-ERD-031]; PNNL Chemical Imaging Initiative; Center for Biophotonics Science and Technology, NSF Science and Technology Center [PHY0120999] FX Work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344 and Pacific Northwest National Laboratory (operated by Battelle Memorial Institute) under Contract DE-AC05-76RL01830. Support was provided by the UCOP Lab Fee Program (award No. 118036), NIH grant number 5RC1GM091755, NSF award MCB-1021557 and NSF STC award 1231306, LLNL Lab-Directed Research and Development Project 012-ERD-031 and the PNNL Chemical Imaging Initiative. Portions of this research were carried out at the Linac Coherent Light Source (LCLS) at SLAC National Accelerator Laboratory. LCLS is an Office of Science User Facility operated for the US Department of Energy Office of Science by Stanford University. A portion of this work was funded by the Center for Biophotonics Science and Technology, a designated NSF Science and Technology Center managed by the University of California, Davis, under Cooperative Agreement No. PHY0120999. NR 26 TC 22 Z9 22 U1 4 U2 23 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2052-2525 J9 IUCRJ JI IUCrJ PD MAR PY 2014 VL 1 BP 95 EP 100 DI 10.1107/S2052252514001444 PN 2 PG 6 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA CL3PY UT WOS:000356863800004 PM 25075325 ER PT J AU Yilmaz, N Hogan, BC Bocanegra, H Donaldson, AB Gill, W AF Yilmaz, Nadir Hogan, Brian C. Bocanegra, Humberto Donaldson, A. Burl Gill, Walt TI Computational Fluid Dynamics and Particle Image Velocimetry Supported Examination of Bidirectional Velocity Probes for Measurements in Flames SO JOURNAL OF THERMAL SCIENCE AND ENGINEERING APPLICATIONS LA English DT Article DE bidirectional probes; CFD; PIV; measurements; flames AB The bidirectional velocity probe has been used in various flames to measure local velocity. The device is based on the pressure difference between a closed forward facing cavity and a closed rearward facing cavity. The probes have been noted to indicate a pressure difference greater than that which would be predicted based on Bernoulli's equation. Each device must be experimentally calibrated in a wind tunnel at similar Reynolds number to determine its "amplification factor." This study uses PIV, flow visualization and CFD to examine the flow field around the probe, as well as an experimental study which compares various probe configurations for measurement of velocity by pressure differential. The conclusion is that the amplification factor is indeed greater than unity but use of the wind tunnel for calibration is questionable. C1 [Yilmaz, Nadir] New Mexico Inst Min & Technol, Dept Mech Engn, Socorro, NM 87810 USA. [Hogan, Brian C.; Bocanegra, Humberto] New Mexico State Univ, Dept Mech Engn, Las Cruces, NM 88003 USA. [Donaldson, A. Burl; Gill, Walt] Sandia Natl Labs, Fire & Aerosol Sci, Albuquerque, NM 87123 USA. RP Yilmaz, N (reprint author), New Mexico Inst Min & Technol, Dept Mech Engn, Socorro, NM 87810 USA. EM yilmaznadir@yahoo.com FU United States Department of Energy's National Nuclear Security Administration [DEAC0494AL85000] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract No. DEAC0494AL85000. NR 8 TC 1 Z9 1 U1 1 U2 1 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 1948-5085 EI 1948-5093 J9 J THERM SCI ENG APPL JI J. Therm. Sci. Eng. Appl. PD MAR PY 2014 VL 6 IS 1 AR 011001 DI 10.1115/1.4024795 PG 6 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA CU2UY UT WOS:000363380300001 ER PT J AU Brown, D AF Brown, David CA Mu2e Collaboration TI Mu2e: a Muon to Electron Conversion Experiment at Fermilab SO NUCLEAR PHYSICS B-PROCEEDINGS SUPPLEMENTS LA English DT Proceedings Paper CT CLEV Conference on the Interplay Between Studies and Measurements Concerning Charged Lepton Flavor Violation Processes CY MAY 06-08, 2013 CL Lecce, ITALY DE Muon; Electron; Conversion; Charged; Lepton; Flavor; Violation AB We present the status of Mu2e, a proposed experiment to measure the rate of muon to electron conversion in the field of a nucleus. The Mu2e experiment will be hosted by Fermi lab at a new muon campus, using a new beamline to deliver protons to the muon generation target. Mu2e will use a series of three solenoids to collect, transport, stop, and analyze the muons produced when the 8 GeV pulsed proton beam from the booster hits the tungsten production target. The 200 nsec wide proton pulse is designed to have a ratio of out-of-time to in-time protons better than 10(-10), insuring a measurement time window of approximately 1 microsecond essentially free from beam pion background. A precision, low-mass straw tube tracker will measure electron momenta with a precision of 1/1000, allowing clean separation of the conversion signal from Decay In Orbit electrons, the principle experimental background. Extensive coverage of multi-layer scintillation counters will detect 99.99% of the cosmic muons which could generate fake signals. A crystal calorimeter will provide particle ID to further reduce backgrounds. Detailed simulations show a 3-year run with 7.56 x 10(17) stopped muons will allow a Single Event Sensitivity of 2 x 10(-17), allowing an estimated 90% confidence level sensitivity to R-mu s of 6 x 10(-17), a four-orders of magnitude improvement over existing limits. The Mu2e schedule is technically limited, with commissioning beginning in 2019. Mu2e may also run at Project X with 10x higher luminosity using either an aluminum or titanium target after minimal upgrades. C1 [Brown, David; Mu2e Collaboration] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Brown, D (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM dave_brown@lbl.gov NR 5 TC 4 Z9 4 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5632 EI 1873-3832 J9 NUCL PHYS B-PROC SUP JI Nucl. Phys. B-Proc. Suppl. PD MAR-MAY PY 2014 VL 248 BP 41 EP 46 DI 10.1016/j.nuclphysbps.2014.02.008 PG 6 WC Physics, Particles & Fields SC Physics GA AJ7FB UT WOS:000337861500008 ER PT J AU Pronskikh, VS Coleman, R Glenzinski, D Kashikhin, VV Mokhov, NV AF Pronskikh, V. S. Coleman, R. Glenzinski, D. Kashikhin, V. V. Mokhov, N. V. TI Optimization of the Mu2e Production Solenoid Heat and Radiation Shield SO NUCLEAR PHYSICS B-PROCEEDINGS SUPPLEMENTS LA English DT Proceedings Paper CT CLEV Conference on the Interplay Between Studies and Measurements Concerning Charged Lepton Flavor Violation Processes CY MAY 06-08, 2013 CL Lecce, ITALY DE muon-to-electron conversion; secondary neutrons; energy deposition; radiation damage AB The Mu2e experiment at Fermilab is designed to study the conversion of a negative muon to electron in the field of a nucleus without emission of neutrinos. Observation of this process would provide unambiguous evidence for physics beyond the Standard Model, and can point to new physics beyond the reach of the LHC. The main parts of the Mu2e apparatus are its superconducting solenoids: Production Solenoid (PS), Transport Solenoid (TS), and Detector Solenoid (DS). Being in the vicinity of the beam, PS magnets are most subjected to the radiation damage. In order for the PS superconducting magnet to operate reliably, the peak neutron flux in the PS coils must be reduced by 3 orders of magnitude by means of sophisticatedly designed massive Heat and Radiation Shield (HRS), optimized for the performance and cost. An issue with radiation damage is related to large residual electrical resistivity degradation in the superconducting coils, especially its Al stabilizer. A detailed MARS 15 analysis and optimization of the HRS has been carried out both to satisfy the Mu2e requirements to the radiation quantities (such as displacements per atom, peak temperature and power density in the coils, absorbed dose in the insulation, and dynamic heat load) and cost. Results of MARS 15 simulations of these radiation quantities are reported and optimized HRS models are presented; it is shown that design levels satisfy all requirements. C1 [Pronskikh, V. S.; Coleman, R.; Glenzinski, D.; Kashikhin, V. V.; Mokhov, N. V.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Pronskikh, VS (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM vspron@fnal.gov; douglasg@fnal.gov NR 11 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5632 EI 1873-3832 J9 NUCL PHYS B-PROC SUP JI Nucl. Phys. B-Proc. Suppl. PD MAR-MAY PY 2014 VL 248 BP 118 EP 120 DI 10.1016/j.nuclphysbps.2014.02.022 PG 3 WC Physics, Particles & Fields SC Physics GA AJ7FB UT WOS:000337861500022 ER PT J AU Assiro, R Cascella, M Grancagnolo, F L'Erario, A Miccoli, A Rella, S Spedicato, M Tassielli, G AF Assiro, R. Cascella, M. Grancagnolo, F. L'Erario, A. Miccoli, A. Rella, S. Spedicato, M. Tassielli, G. TI ASSEMBLY TECHNIQUES FOR ULTRA-LOW MASS DRIFT CHAMBERS SO NUCLEAR PHYSICS B-PROCEEDINGS SUPPLEMENTS LA English DT Proceedings Paper CT CLEV Conference on the Interplay Between Studies and Measurements Concerning Charged Lepton Flavor Violation Processes CY MAY 06-08, 2013 CL Lecce, ITALY DE Drift Chambers; Feed-through-less wiring AB We presents a novel technique for the fast assembly of next generation ultra low mass drift chambers offering space point resolution of the order of 100 gm and high tolerance to pile-up. The chamber design has been developed keeping in mind the requirements for the search of rare processes: high resolutions (order of 100-200 KeV/c) for particles momenta in a range (50-100 MeV/c) totally dominated by the multiple scattering contribution (e.g., muon and kaon decay experiment such as MEG at PSI and Mu2e and ORKA at Fermilab). We describe a novel wiring strategy enabling the semiautomatic wiring of a complete layer with a high degree of control over wire tension and position. We also present feed-through-less wire anchoring system. These techniques have been already implemented at INFN-Lecce in the construction of a prototype drift chamber to be soon tested with cosmic rays and particle beams. C1 [Assiro, R.; Grancagnolo, F.; L'Erario, A.; Miccoli, A.; Rella, S.; Spedicato, M.; Tassielli, G.] Ist Nazl Fis Nucl, I-73100 Lecce, Italy. [Cascella, M.] Univ Salento, Lecce, Italy. [Tassielli, G.] Fermilab Natl Accelerator Lab, Batavia, IL USA. [Tassielli, G.] Univ G Marconi, Rome, Italy. RP Rella, S (reprint author), Ist Nazl Fis Nucl, I-73100 Lecce, Italy. EM michele.cascella@le.infn.it; franco.grancagnolo@le.infn.it; alessia.lerario@le.infn.it; alessandro.miccoli@le.infn.it; simona.rella@unisalento.it; matteo.spedicato@le.infn.it; giovanni.tassielli@le.infn.it RI Rella, Simona/E-2247-2015; Tassielli, Giovanni Francesco/K-2929-2015; Grancagnolo, Francesco/K-2857-2015; Cascella, Michele/B-6156-2013 OI Rella, Simona/0000-0003-2255-4664; Tassielli, Giovanni Francesco/0000-0003-3410-6754; Grancagnolo, Francesco/0000-0002-9367-3380; Cascella, Michele/0000-0003-2091-2501 NR 3 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5632 EI 1873-3832 J9 NUCL PHYS B-PROC SUP JI Nucl. Phys. B-Proc. Suppl. PD MAR-MAY PY 2014 VL 248 BP 124 EP 126 DI 10.1016/j.nuclphysbps.2014.02.024 PG 3 WC Physics, Particles & Fields SC Physics GA AJ7FB UT WOS:000337861500024 ER PT J AU Cascella, M Grancagnolo, F Tassielli, G AF Cascella, M. Grancagnolo, F. Tassielli, G. TI Cluster Counting/Timing Techniques for Drift Chambers SO NUCLEAR PHYSICS B-PROCEEDINGS SUPPLEMENTS LA English DT Proceedings Paper CT CLEV Conference on the Interplay Between Studies and Measurements Concerning Charged Lepton Flavor Violation Processes CY MAY 06-08, 2013 CL Lecce, ITALY DE drift chambers; particle trackers AB We describe the advantages of the cluster counting techniques over the traditional ways of integrating the ionization charge for particle identification for the purpose of particle identification. We also discuss the improvement in the determination of the impact parameter resolution in a drift cell using cluster timing techniques instead of considering only the arrival time of the first electron. Finally, we illustrate a possible way to define a fast trigger/filter. C1 [Cascella, M.] Univ Salento, Lecce, Italy. [Cascella, M.; Grancagnolo, F.; Tassielli, G.] Ist Nazl Fis Nucl, Sez Lecce, Milan, Italy. [Tassielli, G.] Univ G Marconi, Rome, Italy. [Tassielli, G.] Fermilab Natl Accelerator Lab, Batavia, IL USA. RP Cascella, M (reprint author), Univ Salento, Lecce, Italy. EM michele.cascella@le.infn.it; franco.grancagnolo@le.infn.it; giovanni.tassielli@le.infn.it RI Tassielli, Giovanni Francesco/K-2929-2015; Grancagnolo, Francesco/K-2857-2015; Cascella, Michele/B-6156-2013 OI Tassielli, Giovanni Francesco/0000-0003-3410-6754; Grancagnolo, Francesco/0000-0002-9367-3380; Cascella, Michele/0000-0003-2091-2501 NR 2 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5632 EI 1873-3832 J9 NUCL PHYS B-PROC SUP JI Nucl. Phys. B-Proc. Suppl. PD MAR-MAY PY 2014 VL 248 BP 127 EP 130 DI 10.1016/j.nuclphysbps.2014.02.025 PG 4 WC Physics, Particles & Fields SC Physics GA AJ7FB UT WOS:000337861500025 ER PT J AU Cascella, M Grancagnolo, F Mazzotta, P Miccoli, A Panareo, M Spedicato, M Tassielli, G AF Cascella, M. Grancagnolo, F. Mazzotta, P. Miccoli, A. Panareo, M. Spedicato, M. Tassielli, G. TI Characterization of Gas Mixtures for Ultra-Light Drift Chambers SO NUCLEAR PHYSICS B-PROCEEDINGS SUPPLEMENTS LA English DT Proceedings Paper CT CLEV Conference on the Interplay Between Studies and Measurements Concerning Charged Lepton Flavor Violation Processes CY MAY 06-08, 2013 CL Lecce, ITALY DE drift chambers; gain measurement; Diethorn formula AB Low pressure helium/hydrocarbons mixtures are a key ingredient for next generation ultra-light drift chambers. Besides the obvious advantage of limiting the contribution to the momentum measurement due to multiple scattering, the operation at low pressure allows for a broad range of the drift chamber working parameters like drift velocity, diffusion, specific ionization and gas gain. Low pressure operation is of particular advantage for experiments where the tracking detector operates in vacuum. We present our campaign to characterize electron drift, primary ionization yield, gas gain, stability and the relative spatial resolution in helium based mixtures at absolute pressures down to 100 mbar. C1 [Cascella, M.; Panareo, M.] Univ Salento, Lecce, Italy. [Cascella, M.; Grancagnolo, F.; Mazzotta, P.; Miccoli, A.; Panareo, M.; Spedicato, M.; Tassielli, G.] Ist Nazl Fis Nucl, Sez Lecce, Milan, Italy. [Tassielli, G.] Univ G Marconi, Rome, Italy. [Tassielli, G.] Fermilab Natl Accelerator Lab, Batavia, IL USA. RP Cascella, M (reprint author), Univ Salento, Lecce, Italy. EM michele.cascella@le.infn.it; franco.grancagnolo@le.infn.it; paola.mazzotta@le.infn.it; alessandro.miccoli@le.infn.it; marco.panareo@le.infn.it; matteo.spedicato@le.infn.it; giovanni.tassielli@le.infn.it RI Cascella, Michele/B-6156-2013; Tassielli, Giovanni Francesco/K-2929-2015; Panareo, Marco/Q-4563-2016; Grancagnolo, Francesco/K-2857-2015 OI Cascella, Michele/0000-0003-2091-2501; Mazzotta, Pasquale/0000-0002-5411-1748; Tassielli, Giovanni Francesco/0000-0003-3410-6754; Panareo, Marco/0000-0002-7757-5553; Grancagnolo, Francesco/0000-0002-9367-3380 NR 5 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5632 EI 1873-3832 J9 NUCL PHYS B-PROC SUP JI Nucl. Phys. B-Proc. Suppl. PD MAR-MAY PY 2014 VL 248 BP 131 EP 133 DI 10.1016/j.nuclphysbps.2014.02.026 PG 3 WC Physics, Particles & Fields SC Physics GA AJ7FB UT WOS:000337861500026 ER PT J AU Tassielli, GF AF Tassielli, G. F. TI The tracking system for the Mu2e experiment SO NUCLEAR PHYSICS B-PROCEEDINGS SUPPLEMENTS LA English DT Proceedings Paper CT CLEV Conference on the Interplay Between Studies and Measurements Concerning Charged Lepton Flavor Violation Processes CY MAY 06-08, 2013 CL Lecce, ITALY DE Low mass; Tracker; Straw tube AB Mu2e will search for coherent, neutrino-less conversion of muons into electrons in the field of a nucleus to a few parts in 10(-17), a sensitivity improvement of a factor of 10(4) over existing limits. To reach the goal the Mu2e tracker has to efficiently identify and measure electrons with momentum of 105 MeV/c, with a resolution of the order of less than or similar to 150 keV/c, reject a large amount of backgrounds (average hit rate of similar to 15 kHz/cm(2)) and live in a high radiation environment (peak hit rate of similar to 3 MHz/cm(2)). Moreover it must have the ability to work in a vacuum environment (at 10(-4) Ton) and in a uniform magnetic field of 1 Tesla. We present the low mass straw based tracking device that is under development at Fermilab laboratory. C1 [Tassielli, G. F.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Tassielli, G. F.] Univ Guglielmo Marconi, Rome, Italy. [Tassielli, G. F.] Ist Nazl Fis Nucl, I-73100 Lecce, Italy. RP Tassielli, GF (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM giovanni.tassielli@le.infn.it RI Tassielli, Giovanni Francesco/K-2929-2015 OI Tassielli, Giovanni Francesco/0000-0003-3410-6754 NR 3 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5632 EI 1873-3832 J9 NUCL PHYS B-PROC SUP JI Nucl. Phys. B-Proc. Suppl. PD MAR-MAY PY 2014 VL 248 BP 137 EP 139 DI 10.1016/j.nuclphysbps.2014.02.028 PG 3 WC Physics, Particles & Fields SC Physics GA AJ7FB UT WOS:000337861500028 ER PT J AU Chiarello, G Corvaglia, A Grancagnolo, F Panareo, M Pepino, A Primiceri, P Tassielli, G AF Chiarello, G. Corvaglia, A. Grancagnolo, F. Panareo, M. Pepino, A. Primiceri, P. Tassielli, G. TI A Full Front End Chain for Drift Chambers SO NUCLEAR PHYSICS B-PROCEEDINGS SUPPLEMENTS LA English DT Proceedings Paper CT CLEV Conference on the Interplay Between Studies and Measurements Concerning Charged Lepton Flavor Violation Processes CY MAY 06-08, 2013 CL Lecce, ITALY DE Drift Chambers; Front End Electronics; Cluster Counting/Timing; FPGA (Field Programmable Gate Array) AB We developed a high performance full chain for drift chamber signals processing. The Front End electronics is a multistage amplifier board based on high performance commercial devices. In addition a fast readout algorithm for Cluster Counting and Timing purposes has been implemented on a Xilinx-Virtex 4 core FPGA. The algorithm analyzes and stores data coming from a Helium based drift tube and represents the outcome of balancing between efficiency and high speed performance. C1 [Chiarello, G.; Corvaglia, A.; Grancagnolo, F.; Panareo, M.; Pepino, A.; Primiceri, P.; Tassielli, G.] Ist Nazl Fis Nucl, I-73100 Lecce, Italy. [Chiarello, G.; Panareo, M.; Pepino, A.] Univ Salento, Lecce, Italy. [Tassielli, G.] Fermilab Natl Accelerator Lab, Batavia, IL USA. [Tassielli, G.] Univ Marconi, Rome, Italy. RP Pepino, A (reprint author), Ist Nazl Fis Nucl, I-73100 Lecce, Italy. EM gianluigi.chiarello@gmail.com; alessandro.corvaglia@le.infn.it; franco.grancagnolo@le.infn.it; marco.panareo@le.infn.it; aurora.pepino@leinfn.it; patrizio.primiceri@le.infn.it; giovanni.tassielli@le.infn.it RI Tassielli, Giovanni Francesco/K-2929-2015; Panareo, Marco/Q-4563-2016; Grancagnolo, Francesco/K-2857-2015 OI Tassielli, Giovanni Francesco/0000-0003-3410-6754; Chiarello, Gianluigi/0000-0002-3974-8388; Panareo, Marco/0000-0002-7757-5553; Grancagnolo, Francesco/0000-0002-9367-3380 NR 4 TC 2 Z9 2 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5632 EI 1873-3832 J9 NUCL PHYS B-PROC SUP JI Nucl. Phys. B-Proc. Suppl. PD MAR-MAY PY 2014 VL 248 BP 140 EP 142 DI 10.1016/j.nuclphysbps.2014.02.029 PG 3 WC Physics, Particles & Fields SC Physics GA AJ7FB UT WOS:000337861500029 ER PT J AU Pezzullo, G Murat, P Sarra, I Luca, A AF Pezzullo, Gianantonio Murat, Pavel Sarra, Ivano Luca, Alessandra CA Mu2e Calorimeter Grp TI Cosmic background rejection by means of the calorimeter in the Mu2e experiment at Fermilab SO NUCLEAR PHYSICS B-PROCEEDINGS SUPPLEMENTS LA English DT Proceedings Paper CT CLEV Conference on the Interplay Between Studies and Measurements Concerning Charged Lepton Flavor Violation Processes CY MAY 06-08, 2013 CL Lecce, ITALY DE muons; charged-lepton-flavor-violation; muon conversion AB Mu2e experiment [1] searches for coherent, neutrino-less conversion of muons into electrons in the field of a nucleus with a sensitivity of fews parts in 10(-17) (a factor of 10(3)-10(4) over existing limits). Mu2e apparatus takes advantage of high intensity muon beams which hit muon stopping targets (devoted for the capture) and uses a basic detector system which is composed by a low-mass straw tubes tracker and by a LYSO crystal calorimeter. One of the main source of background which afflicts this measure is the cosmic induced background. To suppress and keep that source under control the calorimeter operates both: muon identification (with a muon rejection factor of about 10(2) - 10(3)) and fake-signal-electron (created via muon interactions with the experimental set-up) rejection. In this paper a description of the calorimeter role in cosmic suppression is reported showing results from GEANT4 simulations. C1 [Pezzullo, Gianantonio] Univ Pisa, I-56100 Pisa, Italy. [Pezzullo, Gianantonio] Ist Nazl Fis Nucl, Sez Pisa, Milan, Italy. [Murat, Pavel] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Sarra, Ivano; Luca, Alessandra] Ist Nazl Fis Nucl, Lab Nazl Frascati, Milan, Italy. RP Pezzullo, G (reprint author), Univ Pisa, I-56100 Pisa, Italy. EM pezzullo@pi.infn.it OI Pezzullo, Gianantonio/0000-0002-6653-1555 NR 4 TC 0 Z9 0 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5632 EI 1873-3832 J9 NUCL PHYS B-PROC SUP JI Nucl. Phys. B-Proc. Suppl. PD MAR-MAY PY 2014 VL 248 BP 143 EP 145 DI 10.1016/j.nuclphysbps.2014.02.030 PG 3 WC Physics, Particles & Fields SC Physics GA AJ7FB UT WOS:000337861500030 ER PT J AU Deaton, JD Irwin, RE DaSilva, LA AF Deaton, Juan D. Irwin, Ryan E. DaSilva, Luiz A. TI Dynamic spectrum access in LTE-advanced networks SO PHYSICAL COMMUNICATION LA English DT Article DE Dynamic spectrum access; Long term evolution-advanced; Wireless network architecture; Cognitive radio AB As early as 2014, mobile network operators' spectral capacity will be overwhelmed by the demand brought on by new devices and applications. To augment capacity and meet this demand, operators may choose to deploy a Dynamic Spectrum Access (DSA) overlay. The signaling and functionality required by such an overlay have not yet been fully considered in the architecture of the planned Long Term Evolution Advanced (LTE+) networks. This paper presents a Spectrum Accountability framework to be integrated into LTE+ architectures, defining specific element functionality, protocol interfaces, and signaling flow diagrams required to enforce the rights and responsibilities of primary and secondary users. We also quantify, through integer programs, the benefits of using DSA channels to augment capacity under a scenario in which the LTE+ network can opportunistically use TV and GSM spectra. The framework proposed here may serve as a guide in the development of future LTE+ network standards that account for DSA. (C) 2014 Published by Elsevier B.V. C1 [Deaton, Juan D.; Irwin, Ryan E.; DaSilva, Luiz A.] Virginia Tech, Bradley Dept Elect & Comp Engn, Wireless VT, Blacksburg, VA 24061 USA. [Deaton, Juan D.] Idaho Natl Lab, N&HS Directorate, Idaho Falls, ID 83415 USA. [DaSilva, Luiz A.] Univ Dublin Trinity Coll, CTVR, Dublin 2, Ireland. RP Deaton, JD (reprint author), Virginia Tech, Bradley Dept Elect & Comp Engn, Wireless VT, Blacksburg, VA 24061 USA. EM juan.deaton@gmail.com; rei@vt.edu; ldasilva@vt.edu FU Idaho National Laboratory (INL) Ph.D. Candidate Program; Virginia Tech Bradley Fellowship; Laboratory Directed Research & Development (LDRD) Program under DOE Idaho Operations Office [DE-AC07-05ID14517] FX This work was supported by the Idaho National Laboratory (INL) Ph.D. Candidate Program and Virginia Tech Bradley Fellowship. Work supported through the INL is supported through the Laboratory Directed Research & Development (LDRD) Program under DOE Idaho Operations Office Contract DE-AC07-05ID14517. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The views and conclusions contained in this document are those of the authors and should not be interpreted as representing the official policies, either expressed or implied, of the Department of Energy or the U.S. Government. NR 25 TC 0 Z9 0 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1874-4907 J9 PHYS COMMUN-AMST JI Phys. Commun. PD MAR PY 2014 VL 10 BP 127 EP 143 DI 10.1016/j.phycom.2013.11.001 PG 17 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA V41RT UT WOS:000209564000010 ER PT J AU Seemann, KM Kronast, F Horner, A Valencia, S Wixforth, A Chaplik, AV Fischer, P AF Seemann, K. M. Kronast, F. Hoerner, A. Valencia, S. Wixforth, A. Chaplik, A. V. Fischer, P. TI ATTENUATION OF SURFACE ACOUSTIC WAVES BY SPIN-WAVE EXCITATIONS IN Co60Fe20B20 SO SPIN LA English DT Article DE Spin waves; exchange bias; CoFeB; magnetic ripple domains; surface acoustic waves; SAW; photo-excitation electron microscopy; XPEEM AB The acousto-magnetic attenuation of surface acoustic waves (SAW) in an Co60Fe20B20 exchange spring magnet is evidenced experimentally. By high-resolution magnetic imaging using photo-excitation electron microscopy (XPEEM) and magnetometry measurements, the deflection of the ferromagnet from its equilibrium state is visualized. Along a harmonic oscillator model with damping term, the experimental observation of SAW attenuation is attributed to low-frequency spin wave generation in a magnetic exchange spring. Measuring the SAW attenuation at four eigenfrequencies generated via on-chip higher-harmonic generation, we obtain a sub-GHz resonance at f(0) = 538MHz. C1 [Seemann, K. M.] Tech Univ Munich, Phys Dept E21, Munich, Germany. [Seemann, K. M.] Tech Univ Munich, Heinz Maier Leibnitz Zentrum MLZ, Munich, Germany. [Kronast, F.; Valencia, S.] Helmholtz Zentrum Berlin Mat & Energie, Berlin, Germany. [Hoerner, A.; Wixforth, A.] Univ Augsburg, Inst Phys, Expt Phys 1, Augsburg, Germany. [Chaplik, A. V.] Russian Acad Sci, Inst Semicond Phys, Novosibirsk, Russia. [Fischer, P.] Lawrence Berkeley Natl Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. RP Seemann, KM (reprint author), Tech Univ Munich, Phys Dept E21, Munich, Germany.; Seemann, KM (reprint author), Tech Univ Munich, Heinz Maier Leibnitz Zentrum MLZ, Munich, Germany. EM klaus.seemann@frm2.tum.de; klaus.seemann@frm2.tum.de RI Fischer, Peter/A-3020-2010 OI Fischer, Peter/0000-0002-9824-9343 NR 9 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 2010-3247 EI 2010-3255 J9 SPIN-SINGAPORE JI SPIN PD MAR PY 2014 VL 4 IS 1 AR 1440005 DI 10.1142/S2010324714400050 PG 5 WC Physics, Applied SC Physics GA V45SB UT WOS:000209835200006 ER PT J AU Loether, A Gao, Y Chen, Z DeCamp, MF Dufresne, EM Walko, DA Wen, H AF Loether, A. Gao, Y. Chen, Z. DeCamp, M. F. Dufresne, E. M. Walko, D. A. Wen, H. TI Transient crystalline superlattice generated by a photoacoustic transducer SO STRUCTURAL DYNAMICS LA English DT Article ID X-RAY-DIFFRACTION; COHERENT CONTROL; STREAK-CAMERA; PULSES; PHONONS; TIME; FILMS; CRYSTALLOGRAPHY; DYNAMICS; PROTEIN AB Designing an efficient and simple method for modulating the intensity of x-ray radiation on a picosecond time-scale has the potential to produce ultrafast pulses of hard x-rays. In this work, we generate a tunable transient superlattice, in an otherwise perfect crystal, by photoexciting a metal film on a crystalline substrate. The resulting transient strain has amplitudes approaching 1%, wavevectors greater than 0: 002 angstrom(-1), and lifetimes approaching 1 ns. This method has the potential to generate isolated picosecond x-ray bursts with scattering efficiencies in excess of 10%. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. C1 [Loether, A.; Gao, Y.; Chen, Z.; DeCamp, M. F.] Univ Delaware, Dept Phys & Astron, Newark, DE 19716 USA. [Dufresne, E. M.; Walko, D. A.; Wen, H.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Loether, A (reprint author), Univ Delaware, Dept Phys & Astron, Newark, DE 19716 USA. FU DOE-EPSCoR [DE-FG02-11ER46816]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported from the DOE-EPSCoR Grant No. DE-FG02-11ER46816. 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. NR 31 TC 2 Z9 2 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 2329-7778 J9 STRUCT DYNAM-US JI Struct. Dyn.-US PD MAR PY 2014 VL 1 IS 2 AR 024301 DI 10.1063/1.4867494 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA CI8AD UT WOS:000354988600002 PM 26798773 ER PT J AU Mittal, S AF Mittal, Sparsh TI A survey of architectural techniques for improving cache power efficiency SO SUSTAINABLE COMPUTING-INFORMATICS & SYSTEMS LA English DT Article DE Cache energy saving techniques; Dynamic energy; Leakage energy; Power management; Energy efficiency; Green computing AB Modern processors are using increasingly larger sized on-chip caches. Also, with each CMOS technology generation, there has been a significant increase in their leakage energy consumption. For this reason, cache power management has become a crucial research issue in modern processor design. To address this challenge and also meet the goals of sustainable computing, researchers have proposed several techniques for improving energy efficiency of cache architectures. This paper surveys recent architectural techniques for improving cache power efficiency and also presents a classification of these techniques based on their characteristics. For providing an application perspective, this paper also reviews several real-world processor chips that employ cache energy saving techniques. The aim of this survey is to enable engineers and researchers to get insights into the techniques for improving cache power efficiency and motivate them to invent novel solutions for enabling low-power operation of caches. (C) 2013 Elsevier Inc. All rights reserved. C1 [Mittal, Sparsh] Oak Ridge Natl Lab, Future Technol Grp, Oak Ridge, TN USA. RP Mittal, S (reprint author), Oak Ridge Natl Lab, Future Technol Grp, Oak Ridge, TN USA. EM sparsh0mittal@gmail.com NR 148 TC 19 Z9 19 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 2210-5379 EI 2210-5387 J9 SUSTAIN COMPUT-INFOR JI Sust. Comput. PD MAR PY 2014 VL 4 IS 1 BP 33 EP 43 DI 10.1016/j.suscom.2013.11.001 PG 11 WC Computer Science, Hardware & Architecture; Computer Science, Information Systems SC Computer Science GA V41WN UT WOS:000209576400004 ER PT J AU Welsh, JS Young, J Gupta, R AF Welsh, J. S. Young, J. Gupta, R. TI Lionfish on the Loose in the Waters off St Vincent SO WEST INDIAN MEDICAL JOURNAL LA English DT Article DE Caribbean; envenomations; lionfish; St Vincent AB Objective: The purpose of this study was to determine if the exotic venomous species, Pterois volitans (lionfish) had reached as far south as St Vincent in the Caribbean. This predatory marine fish has successfully invaded the waters of the Western Atlantic and the Caribbean. Such success as an exotic invasive species is rare for a predatory marine fish. It is possible that the fish are growing larger and spreading faster than anticipated, thanks to a lower burden of parasites and a paucity of natural predators in their new environment. But prior to this report, no sightings of this species this far south had been reported. Methods: The authors conducted a search along with the help of local divers and fishermen in the waters of St Vincent. Results: Approximately one year after the initiation of the search, a juvenile specimen was positively confirmed and captured off the southern coast of St Vincent. Conclusions: The exotic predatory and venomous red lionfish, Pterois volitans, has successfully invaded marine waters as far south as the Windward Islands. Fishermen in these regions should be aware of this venomous species in the region and physicians must be aware of how to manage stings from such animals. C1 [Welsh, J. S.; Gupta, R.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Welsh, J. S.; Young, J.] Trinity Sch Med, Ratho Mill, St Vincent. [Welsh, J. S.; Young, J.] Trinity Sch Med, Ratho Mill, Grenada. RP Welsh, JS (reprint author), Fermilab Natl Accelerator Lab, POB 500,Mail Stop 301, Batavia, IL 60510 USA. EM shermanwelsh@gmail.com NR 5 TC 0 Z9 0 U1 3 U2 4 PU UNIV WEST INDIES FACULTY MEDICAL SCIENCES PI KINGSTON PA MONA CAMPUS, KINGSTON 7, JAMAICA SN 0043-3144 J9 W INDIAN MED J JI West Ind. Med. J. PD MAR PY 2014 VL 63 IS 2 BP 179 EP 181 DI 10.7727/wimj.2013.274 PG 3 WC Medicine, General & Internal SC General & Internal Medicine GA CX2ZU UT WOS:000365566100013 PM 25303255 ER PT J AU Sun, XQ Do-Thanh, CL Luo, HM Dai, S AF Sun, Xiaoqi Chi-Linh Do-Thanh Luo, Huimin Dai, Sheng TI The optimization of an ionic liquid-based TALSPEAK-like process for rare earth ions separation SO CHEMICAL ENGINEERING JOURNAL LA English DT Article DE Functionalized ionic liquids; Rare earth elements; Solvent extraction; TALSPEAK ID SOLVENT-EXTRACTION; AQUEOUS-SOLUTIONS; TEMPERATURE; COPPER(II); ACIDS AB Five new functionalized ionic liquids (FILs), tetraethylammonium di(2-ethylhexyl)phosphate ([N-2222] [DEHPI), tetraethylammonium bis(2,4,4-trimethylpentyl)phosphinite ([N-2222][BTMPPD, tetraethylammonium bis(2,4,4-trimethylpentyl)dithiophosphinite ([N-2222][BTMPDTP]), tetrahexylammonium di(2-ethylhexyl)phosphate ([N-6666][DEHP]), and tetraoctylammonium di(2-ethylhexyl)phosphate ([N-8888][DEHP]) were synthesized and characterized. These ILs along with two previously synthesized FILs ([N-4444][DEHP] and [N-1888][DEHP]) were used as ionic extractants and investigated for rare earth elements (REEs) separation in 1-decyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide/bis(perfluoroethanesulfonyl)imide ([C(10)mim][NTf2]/[BETI]). These FILs as ionic extractants were miscible with [C(10)mim][NTf2]/[BETI]. We herein report the applications of these FILs in an IL-based TALSPEAK-like process and the optimization of the process by adjusting the cations and anions of the FILs, concentrations of the FILs as ionic extractants in the IL phase, concentrations of diethylenetriamine pentaacetic acid (DTPA) in the aqueous phase, and acidities of the aqueous phase. (C) 2013 Elsevier B.V. All rights reserved. C1 [Sun, Xiaoqi] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Luo, Huimin] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA. [Chi-Linh Do-Thanh; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37916 USA. [Sun, Xiaoqi] Chinese Acad Sci, Xiamen Inst Rare Earth Mat, Xiamen 361021, Peoples R China. RP Luo, HM (reprint author), Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA. EM luoh@ornl.gov RI Dai, Sheng/K-8411-2015; OI Dai, Sheng/0000-0002-8046-3931; Do-Thanh, Chi-Linh/0000-0003-2263-8331 FU US-DOE Office of Science, Division of Chemical Sciences, Geosciences and Biosciences [DE-AC05-0096OR22725]; Oak Ridge National Laboratory; Oak Ridge Associated Universities (ORAU); DOE SISGR grant "An Integrated Basic Research Program for Advanced Nuclear Energy Separations Systems Based on Ionic Liquids" FX This research was supported by the US-DOE Office of Science, Division of Chemical Sciences, Geosciences and Biosciences under Contract DE-AC05-0096OR22725 with Oak Ridge National Laboratory, managed by UT-Battelle, LLC. XQS acknowledges the Oak Ridge Associated Universities (ORAU) for postdoctoral fellowships. Programmatic support via a DOE SISGR grant "An Integrated Basic Research Program for Advanced Nuclear Energy Separations Systems Based on Ionic Liquids" is gratefully acknowledged. NR 22 TC 19 Z9 21 U1 7 U2 63 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 1385-8947 EI 1873-3212 J9 CHEM ENG J JI Chem. Eng. J. PD MAR 1 PY 2014 VL 239 BP 392 EP 398 DI 10.1016/j.cej.2013.11.041 PG 7 WC Engineering, Environmental; Engineering, Chemical SC Engineering GA 300TA UT WOS:000330485700045 ER PT J AU Johnson, GE Sather, NK Skalski, JR Teel, DJ AF Johnson, G. E. Sather, N. K. Skalski, J. R. Teel, D. J. TI Application of diversity indices to quantify early life-history diversity for Chinook salmon SO ECOLOGICAL INDICATORS LA English DT Article DE Species diversity; Diversity index; Life history diversity; Chinook salmon; Juvenile salmon ID SHANNON-WIENER INDEX; LOWER COLUMBIA RIVER; SPECIES-DIVERSITY; PACIFIC SALMON; CONSISTENT TERMINOLOGY; ONCORHYNCHUS-TSHAWYTSCHA; PARTITIONING DIVERSITY; BRITISH-COLUMBIA; ESTUARY; RICHNESS AB We developed an approach to quantify early life history diversity for Chinook salmon (Oncorhynchus tshawytscha). Early life history diversity (ELHD) is the variation in morphological and behavioral traits expressed within and among populations by individual juvenile salmon during downstream migration. A standard quantitative method does not exist for this prominent concept in salmon biology. For Chinook salmon, ELHD reflects the multitude of possible strategies undertaken during the juvenile (fry through smolt) phases of their life cycle, where a life history strategy (or pattern) describes the combination of traits exhibited by an organism throughout its life cycle. Increasing life history diversity to improve resilience and aid recovery of diminished salmon and steelhead populations is a common objective in fish population recovery efforts. In this paper, we characterized early life history traits and prioritize timing and fish size as two appropriate, measurable dimensions for an ELHD index. We studied diversity index literature, identified an indexing approach based on the effective number of time-size trait combinations, and tested several candidate indices for performance and usefulness in case studies using juvenile salmon catch data from the lower Columbia River and estuary. The recommended ELHD index is diversity expressed as the effective number of time-size trait combinations for the Shannon Index, modified to include an adjustment for missing time-size trait combinations and a sample coverage factor. This index applies to multiple life history strategies of juvenile salmonids; incorporates fish abundance, richness, and evenness; and produces readily interpretable values. The ELHD index can support comparisons across like locales and examinations of trends through time at a given locale. It has application as a high-level indicator to track trends in the status of the recovery of salmon and steelhead populations in the Columbia River basin and elsewhere where salmon recovery efforts are under way. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Johnson, G. E.; Sather, N. K.] Pacific NW Natl Lab, Sequim, WA 98382 USA. [Skalski, J. R.] Univ Washington, Seattle, WA 98101 USA. [Teel, D. J.] NW Fisheries Sci Ctr, NOAA Fisheries, Manchester, WA 98353 USA. RP Johnson, GE (reprint author), Pacific NW Natl Lab, 1529 West Sequim Bay Rd, Sequim, WA 98382 USA. EM gary.johnson@pnnl.gov; nichole.sather@pnnl.gov; jrs@cbr.washington.edu; david.teel@noaa.gov OI Skalski, John/0000-0002-7070-2505 FU U.S. Army Corps of Engineers through the Columbia River Fish Mitigation Project; Heida Diefenderfer; Anadromous Fish Evaluation Program FX This research was funded by the U.S. Army Corps of Engineers through the Columbia River Fish Mitigation Project, as instituted under the Anadromous Fish Evaluation Program. We appreciate: oversight from Blaine Ebberts and Cynthia Studebaker, technical leads for the funding agency; reviews of early reports in this effort by Billy Connor; Earl Dawley, Tracy Hillman, and Roy Kropp; compilation of literature by Erin Donley; maps by Amy Borde; genetic stock identifications by David Kuligowski; technical reviews by Heida Diefenderfer, Curtis Roegner, Nick Tolimieri, and Eric Ward; technical editing by Susan Ennor; project management, editing, and support from Heida Diefenderfer; and peer-reviews by two anonymous reviewers. NR 72 TC 0 Z9 0 U1 2 U2 30 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1470-160X EI 1872-7034 J9 ECOL INDIC JI Ecol. Indic. PD MAR PY 2014 VL 38 BP 170 EP 180 DI 10.1016/j.ecolind.2013.11.005 PG 11 WC Biodiversity Conservation; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 300XP UT WOS:000330497600019 ER PT J AU Rohatgi, A Soulami, A Stephens, EV Davies, RW Smith, MT AF Rohatgi, Aashish Soulami, Ayoub Stephens, Elizabeth V. Davies, Richard W. Smith, Mark T. TI An investigation of enhanced formability in AA5182-O Al during high-rate free-forming at room-temperature: Quantification of deformation history SO JOURNAL OF MATERIALS PROCESSING TECHNOLOGY LA English DT Article DE Formability; High strain-rate; Forming limit diagram; Electro-hydraulic forming; Light-weight; Digital image correlation ID ALUMINUM-ALLOY SHEET; METAL; LIMITS AB The goal of this work is to improve our understanding of formability enhancement in aluminum (Al) sheet alloys that has generally been observed during high-strain-rate forming. In the mirk presented here, experiments and numerical modeling were used to investigate the room-temperature formability of AA5182-O Al alloy sheet (1 mm thick) at high strain-rates using the electro-hydraulic forming (EHF) technique. A finite element model, using Johnson-Cook constitutive equation, was developed to simulate the high-rate forming behavior of Al under EHF and test samples were designed to obtain different strain paths at the apex of the EHF domes. The deformation history of Al sheets, under free-forming conditions and inside a conical die, was experimentally determined and compared to the model predictions. Experimental data shows that the high-rate formability of AA5182-O Al at minor strains of similar to-0.1 and similar to 0.05, relative to its corresponding quasi-static formability, was enhanced locally by similar to 2.5x and similar to 6.5x under free-forming and when forming inside the conical die, respectively. The in-plane peak engineering strain-rate associated with the enhanced formability during free-forming was measured to be similar to 3900/s while the pre-impact strain-rate during conical-die forming was estimated to be similar to 4230/s. The strain-path associated with enhanced formability was experimentally determined under a free-forming case and was found to be in good agreement with that predicted by the numerical model. To the authors' knowledge, these results are the first to experimentally quantify the deformation history associated with enhanced formability that has often been reported in the literature. (C) 2013 Elsevier B.V. All rights reserved. C1 [Rohatgi, Aashish; Soulami, Ayoub; Stephens, Elizabeth V.; Davies, Richard W.; Smith, Mark T.] PNNL, Richland, WA 99352 USA. RP Rohatgi, A (reprint author), PNNL, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM aashish.rohatgi@pnnl.gov; ayoub.soulami@pnnl.gov; elizabeth.stephens@pnnl.gov; rich.davies@pnnl.gov; mark.smith@pnnl.gov FU U.S. Department of Energy [DE-AC05-76RL01830]; U.S. Department of Energy, Office of Vehicle Technologies, as part of the Lightweight Materials program FX The Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC05-76RL01830. This work was sponsored by Drs. Joseph Carpenter and Carol Schutte in association with the U.S. Department of Energy, Office of Vehicle Technologies, as part of the Lightweight Materials program. The authors are thankful to the technical team from the U.S. automotive industries for their suggestions. Capacitor banks' operational guidance provided by J. Johnson (Bonneville Power Administration), and technical support provided by G.L. Vanarsdale (Science Applications International Corporation) and PNNL staff (M.E. Dahl, K.F. Mattlin, P.A. Boyd and C.A. Bonebrake) is gratefully acknowledged. Technical support, to operate the cameras and image analysis using DIC software, provided by Alistair Tofts and Hubert Schreier at Correlated Solutions is also acknowledged. NR 21 TC 5 Z9 5 U1 3 U2 14 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0924-0136 J9 J MATER PROCESS TECH JI J. Mater. Process. Technol. PD MAR PY 2014 VL 214 IS 3 BP 722 EP 732 DI 10.1016/j.jmatprotec.2013.07.015 PG 11 WC Engineering, Industrial; Engineering, Manufacturing; Materials Science, Multidisciplinary SC Engineering; Materials Science GA 296BL UT WOS:000330160000025 ER PT J AU Tong, JX Hu, BX Huang, H Guo, LJ Yang, JZ AF Tong, Juxiu Hu, Bill X. Huang, Hai Guo, Luanjin Yang, Jinzhong TI Application of a data assimilation method via an ensemble Kalman filter to reactive urea hydrolysis transport modeling SO STOCHASTIC ENVIRONMENTAL RESEARCH AND RISK ASSESSMENT LA English DT Article DE Data assimilation; EnKF; Chemical concentration; Reactive urea hydrolysis transport; Reactive rate parameter ID ATMOSPHERIC DATA ASSIMILATION; ECOSYSTEM MODEL; SOIL; CONTAMINATION; PRODUCTS; FLOW; PH AB With growing importance of water resources in the world, remediations of anthropogenic contaminations due to reactive solute transport become even more important. A good understanding of reactive rate parameters such as kinetic parameters is the key to accurately predicting reactive solute transport processes and designing corresponding remediation schemes. For modeling reactive solute transport, it is very difficult to estimate chemical reaction rate parameters due to complex processes of chemical reactions and limited available data. To find a method to get the reactive rate parameters for the reactive urea hydrolysis transport modeling and obtain more accurate prediction for the chemical concentrations, we developed a data assimilation method based on an ensemble Kalman filter (EnKF) method to calibrate reactive rate parameters for modeling urea hydrolysis transport in a synthetic one-dimensional column at laboratory scale and to update modeling prediction. We applied a constrained EnKF method to pose constraints to the updated reactive rate parameters and the predicted solute concentrations based on their physical meanings after the data assimilation calibration. From the study results we concluded that we could efficiently improve the chemical reactive rate parameters with the data assimilation method via the EnKF, and at the same time we could improve solute concentration prediction. The more data we assimilated, the more accurate the reactive rate parameters and concentration prediction. The filter divergence problem was also solved in this study. C1 [Tong, Juxiu; Hu, Bill X.] China Univ Geosci, Collage Water Resources & Environm Sci, Key Lab Groundwater Cycle & Environm Evolut, Minist Educ, Beijing 100083, Peoples R China. [Tong, Juxiu; Huang, Hai; Guo, Luanjin] Idaho Natl Lab, Carbon Resource Management Dept, Idaho Falls, ID 83415 USA. [Tong, Juxiu; Yang, Jinzhong] Wuhan Univ, State Key Lab Water Resources & Hydropower Engn S, Wuhan 430072, Peoples R China. [Tong, Juxiu; Hu, Bill X.] Florida State Univ, Dept Earth Ocean & Atmospher Sci Geol Sci, Tallahassee, FL 32306 USA. RP Hu, BX (reprint author), China Univ Geosci, Collage Water Resources & Environm Sci, Key Lab Groundwater Cycle & Environm Evolut, Minist Educ, Beijing 100083, Peoples R China. EM hu@gly.fsu.edu FU National Nature Science Foundation of China [51209187]; Fundamental Research Funds for the Central Universities [2652011286]; National Nature Science Foundation of China Major Research Project [91125024] FX This work is partly supported by the National Nature Science Foundation of China (Grant No. 51209187), the Fundamental Research Funds for the Central Universities (Grant No. 2652011286) and the National Nature Science Foundation of China Major Research Project (Grant No. 91125024). NR 66 TC 0 Z9 0 U1 6 U2 31 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1436-3240 EI 1436-3259 J9 STOCH ENV RES RISK A JI Stoch. Environ. Res. Risk Assess. PD MAR PY 2014 VL 28 IS 3 BP 729 EP 741 DI 10.1007/s00477-013-0786-y PG 13 WC Engineering, Environmental; Engineering, Civil; Environmental Sciences; Statistics & Probability; Water Resources SC Engineering; Environmental Sciences & Ecology; Mathematics; Water Resources GA 298RR UT WOS:000330342600021 ER PT J AU Ahmed, M Sauck, W Sultan, M Yan, E Soliman, F Rashed, M AF Ahmed, Mohamed Sauck, William Sultan, Mohamed Yan, Eugene Soliman, Farouk Rashed, Mohamed TI Geophysical Constraints on the Hydrogeologic and Structural Settings of the Gulf of Suez Rift-Related Basins: Case Study from the El Qaa Plain, Sinai, Egypt SO SURVEYS IN GEOPHYSICS LA English DT Review DE Gravity; Aeromagnetic; Sinai Peninsula; Groundwater; Sustainable utilization ID ANALYTIC SIGNAL; TRANSFER ZONES; RED-SEA; AREA; STRATIGRAPHY; GEOMETRY; GEOLOGY AB Groundwater has been identified as one of the major freshwater sources that can potentially meet the growing demands of Egypt's population. Gravity data (from 381 ground gravity stations) were collected, processed, and analyzed together with the available aeromagnetic (800 line-km) data to investigate the hydrogeologic and structural settings, areal distribution, geometry, and water storage of the aquifers in El Qaa coastal plain in the southwest Sinai Peninsula, and to assess their longevity given projected extraction rates. Findings include (1) complete Bouguer anomaly and total magnetic intensity maps show two connected sub-basins separated by a narrow saddle with an average basin length of 43 km and an average width of 12 km; (2) two-dimensional modeling of both gravity and magnetic data indicates basin fill with a maximum thickness of 3.5 km; (3) using anomalous residual gravity, the volume of water in storage was estimated at 40-56 km(3); and (4) progressive increases in extraction rates over time will deplete up to 40 % of the aquifers' volume in 200-230 years and will cause the water quality to deteriorate due to seawater intrusion in 45 years. Similar geophysical exploration campaigns, if conducted over the entire coastal plains of the Red Sea and the Gulfs of Suez and Aqaba, could assist in the development of sound and sustainable management schemes for the freshwater resources in these areas. The adopted techniques could pave the way toward the establishment of sustainable utilization schemes for a much larger suite of similar aquifers worldwide. C1 [Ahmed, Mohamed; Sauck, William; Sultan, Mohamed] Western Michigan Univ, Dept Geosci, Kalamazoo, MI 49008 USA. [Ahmed, Mohamed; Soliman, Farouk; Rashed, Mohamed] Suez Canal Univ, Fac Sci, Dept Geol, Ismailia, Egypt. [Yan, Eugene] Argonne Natl Lab, Argonne, IL 60439 USA. [Rashed, Mohamed] King Abdulaziz Univ, Fac Earth Sci, Dept Geophys, Jeddah 21441, Saudi Arabia. RP Sultan, M (reprint author), Western Michigan Univ, Dept Geosci, 1903 W Michigan Ave,1187 Rood Hall, Kalamazoo, MI 49008 USA. EM mohamed.sultan@wmich.edu RI Rashed, Mohamed/J-5793-2012; OI Rashed, Mohamed/0000-0002-4977-9209; Sauck, William/0000-0003-2911-3044 FU NATO Science for Peace [SFP 982614] FX Research is supported by a NATO Science for Peace (Grant SFP 982614) awarded to Western Michigan University. We thank Dr. Kamal Ghodeif for providing static water level measurements. We also thank Dr. Khaled Mamoun, Mr. Islam Nagi, and Mrs. Lamees Mohamed for assisting in the collection of the 2011 gravity data. NR 46 TC 1 Z9 1 U1 7 U2 20 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0169-3298 EI 1573-0956 J9 SURV GEOPHYS JI Surv. Geophys. PD MAR PY 2014 VL 35 IS 2 BP 415 EP 430 DI 10.1007/s10712-013-9259-6 PG 16 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 298UB UT WOS:000330348900005 ER PT J AU Kim, D Choi, S Shaddix, CR Geier, M AF Kim, Daehee Choi, Sangmin Shaddix, Christopher R. Geier, Manfred TI Effect of CO2 gasification reaction on char particle combustion in oxy-fuel conditions SO FUEL LA English DT Article DE CO2 gasification; Oxy-combustion; Pulverized coal; Char burnout simulation; High-temperature kinetics ID PULVERIZED COAL CHAR; SUB-BITUMINOUS COAL; CARBON-DIOXIDE; KINETICS; DEVOLATILIZATION; TECHNOLOGY; ATMOSPHERE; PRESSURE; FURNACE; O-2/N-2 AB CO2 gasification of coal char may play an important role in oxy-combustion environments with flue gas recirculation (FGR), but its effect on the overall reaction rate has not been clearly understood. To give clarity to the likely impact of CO2 gasification on the oxy-combustion of pulverized coal chars, burnout simulations of coal char particles were carried out, adopting apparent char reactivity and a single-film model that includes the Stefan flow effect on mass and energy transfer. Three oxygen concentrations (21%, 30%, and 5% O-2), representing air, oxy-fuel, and oxygen-deficient combustion environments were simulated. A new experimental approach was used to directly measure the CO2 gasification rate of a subbituminous coal char at high temperatures and atmospheric pressure. The measured gasification rate is somewhat higher than previous measurements. The simulation results show that the endothermic gasification reaction reduces the char particle temperature and thereby reduces the oxidation rates. However, due to the contribution of the direct gasification reaction on carbon consumption, the char burnout time and the carbon consumption were improved. The gasification reaction has a greater influence on the char burnout time and the relative carbon consumption in an oxygen-deficient environment and on the drop of particle temperature in an oxygen-enriched environment (for a given gas temperature). In addition, the influence of the gasification reaction on char combustion increases as the gas temperature increases and as the particle size increases. Further, it was observed that the impact of the gasification reaction is dependent on the presumed kinetic rate, which highlights the importance of using reliable kinetic parameters in simulations. Based on the present results, it is important to include the gasification reaction by CO2 when simulating char combustion in oxy-fuel combustion environments. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Kim, Daehee; Choi, Sangmin] Korea Adv Inst Sci & Technol, Dept Mech Engn, Taejon 305701, South Korea. [Shaddix, Christopher R.; Geier, Manfred] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA. RP Choi, S (reprint author), Korea Adv Inst Sci & Technol, Dept Mech Engn, 291 Daehak Ro, Taejon 305701, South Korea. EM smchoi@kaist.ac.kr RI Choi, Sangmin/C-1928-2011 FU Korean government; Brain Korea 21 Project; U.S. Department of Energy (DOE) through the National Energy Technology Laboratory's Power Systems Advanced Research Program; U.S. DOE's National Nuclear Security Administration [DE-AC04-94AL85000] FX D. Kim has led this research as a part of Ph.D. dissertation requirement at KAIST. Experimental work was conducted at Sandia National Laboratories, where D. Kim joined the team as a visiting researcher. Support for D. Kim's visit at Sandia was provided by the Korean government scholarship, the Brain Korea 21 Project, and also by the U.S. Department of Energy (DOE) through the National Energy Technology Laboratory's Power Systems Advanced Research Program. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for U.S. DOE's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 44 TC 23 Z9 24 U1 5 U2 73 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0016-2361 EI 1873-7153 J9 FUEL JI Fuel PD MAR PY 2014 VL 120 BP 130 EP 140 DI 10.1016/j.fuel.2013.12.004 PG 11 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 296XL UT WOS:000330218600015 ER PT J AU Li, L Zhang, XX Chen, RJ Zhao, TL Lu, J Wu, F Amine, K AF Li, Li Zhang, Xiaoxiao Chen, Renjie Zhao, Taolin Lu, Jun Wu, Feng Amine, Khalil TI Synthesis and electrochemical performance of cathode material Li1.2Co0.13Ni0.13Mn0.54O2 from spent lithium-ion batteries SO JOURNAL OF POWER SOURCES LA English DT Article DE Spent lithium-ion battery; Leaching solution; Li-rich cathode material; Oxalic acid co-precipitation ID SECONDARY BATTERIES; COBALT OXIDE; RECOVERY; ELECTRODES; LICOO2; COPRECIPITATION; LEACHANT; CAPACITY; OXALATE; ACID AB Li-rich layered oxide Li1.2Co0.13Ni0.13Mn0.54O2 has been successfully re-synthesized using the ascorbic acid leaching solution of spent lithium-ion batteries as the raw materials. A combination of oxalic acid co-precipitation, hydrothermal and calcination processes was applied to synthesize this material. For comparison, a fresh sample with the same composition has been also synthesized from the commercial raw materials using the same method. X-ray diffraction (XRD), scanning electron microscopy (SEM), Xray photoelectron spectroscopy (XPS) and electrochemical measurements are carried out to characterize these samples. XRD results indicate that both samples have the layered alpha-NaFeO2 structures with a space group of R(3) over bar m. No other crystalline phase was detected by XRD. The electrochemical results show that the re-synthesized and fresh-synthesized sample can deliver discharge capacities as high as 258.8 and 264.2 mAh g(-1) at the first cycle, respectively. After 50 cycles, discharge capacities of 225.1 and 228 mAh g(-1) can be obtained with capacity retention of 87.0 and 86.3%, respectively. This study suggests that the leaching solution from spent lithium ion batteries can be recycled to synthesize Li-rich cathode materials with good electrochemical performance. Crown Copyright (C) 2013 Published by Elsevier B.V. All rights reserved. C1 [Li, Li; Zhang, Xiaoxiao; Chen, Renjie; Zhao, Taolin; Wu, Feng] Beijing Inst Technol, Sch Chem Engn & Environm, Beijing 100081, Peoples R China. [Lu, Jun; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Chen, RJ (reprint author), Beijing Inst Technol, Sch Chem Engn & Environm, Beijing 100081, Peoples R China. EM chenrj@bit.edu.cn; amine@anl.gov FU International S&T Cooperation Program of China [2010DFB63370]; Chinese National 973 Program [2009CB220106]; Beijing Nova Program [Z121103002512029]; Beijing Excellent Talents Plan Funding; New Century Educational Talents Plan of the Chinese Education Ministry [NCET-12-0050]; U.S. Department of Energy [DE-AC0206CH11357]; Vehicle Technologies Office, Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) FX The experimental work of this study was supported by the International S&T Cooperation Program of China (2010DFB63370), the Chinese National 973 Program (2009CB220106), Beijing Nova Program (Z121103002512029), Beijing Excellent Talents Plan Funding and the New Century Educational Talents Plan of the Chinese Education Ministry (NCET-12-0050). This work was also supported by the U.S. Department of Energy under Contract DE-AC0206CH11357 provided by the Vehicle Technologies Office, Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE). This work especially thanks to US-China Electric Vehicle and Battery Technology between Argonne National Laboratory and Beijing Institute of Technology. NR 38 TC 21 Z9 21 U1 17 U2 231 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD MAR 1 PY 2014 VL 249 BP 28 EP 34 DI 10.1016/j.jpowsour.2013.10.092 PG 7 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 297LG UT WOS:000330256300005 ER PT J AU Ren, F Cox, T Wang, H AF Ren, Fei Cox, Thomas Wang, Hsin TI Thermal runaway risk evaluation of Li-ion cells using a pinch-torsion test SO JOURNAL OF POWER SOURCES LA English DT Article DE Li-ion battery; Internal short circuit; Mechanical abuse; Thermal stability AB Internal short circuit (ISCr) can lead to failure of Li-ion cells and sometimes result in thermal runaway. Understanding the behavior of Li-ion cells in ISCr condition is thus critical to evaluate the safety of these energy storage devices. In the current work, a pinch torsion test is developed to simulate ISCr in a controlled manner. It is demonstrated that the torsional component superimposed on compression loading can reduce the axial load required to induce ISCr with smaller short spot size. Using this pinch-torsion test, two types of commercial Li-ion pouch cells were tested under different state of charge (SOC). Based on the severity of the cell damage, a series of thermal runaway risk scores were used to rate the thermal stability of these cells. One of the cell types showed significantly increased hazard as the SOC increased while the other type exhibited relative uniform behavior among different SOC. Therefore, this novel pinch-torsion test seems to be an attractive candidate for safety testing of Li-ion cells due to its abilities to consistently create small ISCr spots and to differentiate cell stability in a wide range of SOC. (C) 2013 Elsevier B.V. All rights reserved. C1 [Ren, Fei; Cox, Thomas; Wang, Hsin] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37830 USA. RP Wang, H (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37830 USA. EM wangh2@ornl.gov RI Wang, Hsin/A-1942-2013 OI Wang, Hsin/0000-0003-2426-9867 FU Office of Vehicle Technologies of the Department of Energy; Oak Ridge National Laboratory [DE-AC05-000R22725]; High Temperature Materials Laboratory program at Oak Ridge National Laboratory FX This work was sponsored by the Office of Vehicle Technologies of the Department of Energy and was carried out at Oak Ridge National Laboratory under contract DE-AC05-000R22725 with UT-Battelle, LLC. The microscopic equipment used in this study was supported by the High Temperature Materials Laboratory program at Oak Ridge National Laboratory. The authors also acknowledge Drs. Yanfei Gao and Edgar Lara-Curzio of ORNL for helpful discussions and suggestions during the preparation of this manuscript. NR 9 TC 17 Z9 17 U1 1 U2 32 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD MAR 1 PY 2014 VL 249 BP 156 EP 162 DI 10.1016/j.jpowsour.2013.10.058 PG 7 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 297LG UT WOS:000330256300023 ER PT J AU Chen-Wiegart, YCK DeMike, R Erdonmez, C Thornton, K Barnett, SA Wang, J AF Chen-Wiegart, Yu-chen Karen DeMike, Ross Erdonmez, Can Thornton, Katsuyo Barnett, Scott A. Wang, Jun TI Tortuosity characterization of 3D microstructure at nano-scale for energy storage and conversion materials SO JOURNAL OF POWER SOURCES LA English DT Article DE Lithium ion battery; Solid oxide fuel cell; Tortuosity; X-ray tomography; Three dimensional structure; Novel charaterization ID OXIDE FUEL-CELL; LI-ION BATTERY; CURRENT FLOW-RATES; X-RAY TOMOGRAPHY; 3-DIMENSIONAL RECONSTRUCTION; NEGATIVE ELECTRODE; POROUS-MEDIA; ANODE; DIFFUSIVITY; DISTRIBUTIONS AB A distance propagation method is presented for calculating tortuosity with relatively low computation time from three-dimensional (3D) tomographic data. Moreover, a novel concept of tortuosity distribution is developed to provide a more comprehensive picture of inhomogeneous microstructures where tortuosity depends on the actual 3D paths. Instead of using one single tortuosity value, the tortuosity distribution both as spatial distribution map and also statistic histogram can provide a more complete description. The method, which can be applied to any porous medium, is tested against a diffusion-based tortuosity calculation on two 3D microstructures: a LiCoO2 cathode electrode of lithium ion battery measured by x-ray nano-tomography and a lanthanum strontium rnanganite-ttria-stabilized zirconia, solid oxide fuel cells cathode measured using focused ion beam-scanning electron microscopy serial sectioning. The present method is shown to provide good-agreement with the effective diffusion-based tortuosity values. (C) 2013 Elsevier B.V. All rights reserved. C1 [Chen-Wiegart, Yu-chen Karen; Wang, Jun] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. [DeMike, Ross; Thornton, Katsuyo] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. [Erdonmez, Can] Brookhaven Natl Lab, Sustainable Energy Technol Dept, Upton, NY 11973 USA. [Barnett, Scott A.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. RP Wang, J (reprint author), Brookhaven Natl Lab, Photon Sci Directorate, 744 Ring Rd, Upton, NY 11973 USA. EM junwang@bnl.gov RI Barnett, Scott/B-7502-2009; OI /0000-0002-1227-5293 FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; National Science Foundation [DMR-0907639/0907030] FX We are grateful that Prof. Eric Maire provided us with the methodology developed by his group. We thank William Harris and Prof. Wilson Chiu for the helpful discussion. We thank Dr. Fernando Camino for assisting the development of the sample preparation procedure using FIB-SEM. Research 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. Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. Scott Barnett and Katsuyo Thornton gratefully acknowledge support by the National Science Foundation under Grant Number DMR-0907639/0907030. NR 39 TC 34 Z9 34 U1 12 U2 122 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD MAR 1 PY 2014 VL 249 BP 349 EP 356 DI 10.1016/j.jpowsour.2013.10.026 PG 8 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 297LG UT WOS:000330256300045 ER PT J AU Li, GS Lu, XC Kim, JY Lemmon, JP Sprenkle, VL AF Li, Guosheng Lu, Xiaochuan Kim, Jin Y. Lemmon, John P. Sprenkle, Vincent L. TI Improved cycling behavior of ZEBRA battery operated at intermediate temperature of 175 degrees C SO JOURNAL OF POWER SOURCES LA English DT Article DE Sodium-nickel chloride battery; Metallization; Interfacial polarization; Sodium wetting problem ID CHLORIDE BATTERIES AB Operation of the sodium-nickel chloride battery at temperatures below 200 degrees C reduces cell degradation and improves cyclability. One of the main technical issues with operating this battery at intermediate temperatures such as 175 degrees C is the poor wettability of molten sodium on beta ''-alumina solid electrolyte (BASE), which causes reduced active area and limits charging. In order to overcome the poor wettability of molten sodium on BASE at 175 degrees C, a Pt grid was applied on the anode side of the BASE using a screen printing technique. Cells with their active area increased by metallized SASEs exhibited deeper charging and stable cycling behavior. Published by Elsevier B.V. C1 [Li, Guosheng; Lu, Xiaochuan; Kim, Jin Y.; Lemmon, John P.; Sprenkle, Vincent L.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Kim, JY (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM Jin.Kim@pnnl.gov FU Energy Storage Systems program; Battelle Memorial Institute for the DOE [DE-AC05-76RL01830] FX This work is supported by the Energy Storage Systems program, which is managed by the U. S. Department of Energy (DOE) Office of Electricity Delivery & Energy Reliability. Pacific Northwest National Laboratory is a multiprogram laboratory operated by Battelle Memorial Institute for the DOE under Contract DE-AC05-76RL01830. NR 11 TC 7 Z9 7 U1 2 U2 40 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD MAR 1 PY 2014 VL 249 BP 414 EP 417 DI 10.1016/j.jpowsour.2013.10.110 PG 4 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 297LG UT WOS:000330256300053 ER PT J AU Bloom, I Trahey, L Abouimrane, A Belharouak, I Zhang, XF Wu, QL Lu, WQ Abraham, DP Bettge, M Elam, JW Meng, XB Burrell, AK Ban, CM Tenent, R Nanda, J Dudney, N AF Bloom, Ira Trahey, Lynn Abouimrane, Ali Belharouak, Ilias Zhang, Xiaofeng Wu, Qingliu Lu, Wenquan Abraham, Daniel P. Bettge, Martin Elam, Jeffrey W. Meng, Xiangbo Burrell, Anthony K. Ban, Chunmei Tenent, Robert Nanda, Jagjit Dudney, Nancy TI Effect of interface modifications on voltage fade in 0.5Li(2)MnO(3)center dot 0.5LiNi(0.375)Mn(0.375)CO(0.25)O(2) cathode materials SO JOURNAL OF POWER SOURCES LA English DT Article DE Lithium-ion batteries; Composite cathode materials; Voltage fade; Coatings; Electrolyte additives ID LITHIUM-ION BATTERIES; ATOMIC LAYER DEPOSITION; RICH COMPOSITE CATHODE; ELECTROLYTE ADDITIVES; SURFACE MODIFICATION; ELECTROCHEMICAL-BEHAVIOR; POSITIVE ELECTRODE; LICOO2 CATHODE; PERFORMANCE; STABILITY AB The effects of the coatings Al2O3, LiAIO(5), ZrO2, TiO2, AlPO4, and LiPON and of the electrolyte additives 3-hexylthiophene and lithium difluoro (oxalato)borate (LiDFOB) on the voltage fade phenomenon in 0.5Li(2)Mn0(3)center dot 0.5LiNi(0.375)Mn(0.375)Co(0.25)O(2) cathodes were investigated. Cells containing these materials or additives were cycled according to a standard protocol at room temperature between 2.0 and 4.7 V vs. Li/Li. As expected, the cells containing either an additive or a coated cathode displayed less capacity loss than cells containing an uncoated cathode and no additive. The voltage fade phenomenon was quantified in terms of changes in the average cell voltage (Wh/Ah). The results indicate that, within experimental error, all of the coatings and additives produced little-to-no effect on voltage fade. (C) 2013 Elsevier B.V. All rights reserved. C1 [Bloom, Ira; Trahey, Lynn; Abouimrane, Ali; Belharouak, Ilias; Zhang, Xiaofeng; Wu, Qingliu; Lu, Wenquan; Abraham, Daniel P.; Bettge, Martin; Burrell, Anthony K.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Elam, Jeffrey W.; Meng, Xiangbo] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. [Ban, Chunmei; Tenent, Robert] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Nanda, Jagjit; Dudney, Nancy] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Bloom, I (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM ira.bloom@anl.gov FU U.S Department of Energy (DOE), Office of Vehicle Technologies [DE-ACO2-06CH11357]; DOE, Office of Science, Office of Basic Energy Sciences; Vehicles Technology Office of the DOE Office of Energy Efficiency and Renewable Energy (EERE) [24282]; Vehicle Technologies Program for the EERE [DE-ACO5000R22725] FX The work at Argonne National Laboratory was performed under the auspices of the U.S Department of Energy (DOE), Office of Vehicle Technologies, under Contract No. DE-ACO2-06CH11357. J. W. Elam and X. Meng were supported as part of the Center for Electrical Energy Storage: Tailored Interfaces, an Energy Frontier Research Center funded by the DOE, Office of Science, Office of Basic Energy Sciences. Robert Tenent and Chunmei Ban thank Dr. Peter Faguy for funding under the Applied Batteries Research (ABR) program from the Vehicles Technology Office of the DOE Office of Energy Efficiency and Renewable Energy (EERE) under DOE Agreement #24282. The research at Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the DOE under contract DE-ACO5000R22725, is sponsored by the Vehicle Technologies Program for the EERE. NR 54 TC 42 Z9 42 U1 12 U2 201 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD MAR 1 PY 2014 VL 249 BP 509 EP 514 DI 10.1016/j.jpowsour.2013.10.035 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 297LG UT WOS:000330256300065 ER PT J AU Iqbal, M ul Islam, G Saleem, S Herrmannsfeldt, WB AF Iqbal, Munawar ul Islam, Ghalib Saleem, Safa Herrmannsfeldt, W. B. TI Optimization of the hairpin-source electron gun using EGUN SO VACUUM LA English DT Article DE Emission density; Power density; Beam convergence; EGUN ID POINT CATHODE; BEAM; SURFACE AB We present a comparison of the experimental and simulated results of the thermionic hairpin-source, electron beam assembly using the SLAC electron beam trajectory program (EGUN). The gun was optimized for maximum emission current density and beam convergence in the post anode region. Therefore, by optimizing different parameters, an emission current density of 32 A/cm(2) with maximum beam convergence of 0.9 mm was obtained. This corresponds to a power density of 3.29 x 10(5) W/cm(2) at the focus point. As this was accomplished without the aid of magnetic focusing, the assembly was much simplified. The gun can now be used for electron devices and accelerator technology which require high current and power densities. (C) 2013 Elsevier Ltd. All rights reserved. C1 [Iqbal, Munawar; ul Islam, Ghalib; Saleem, Safa] Univ Punjab, Ctr High Energy Phys, Lahore, Pakistan. [Herrmannsfeldt, W. B.] Stanford Univ, Stanford Linear Accelerator Ctr, Palo Alto, CA 94304 USA. RP Iqbal, M (reprint author), Univ Punjab, Ctr High Energy Phys, Lahore, Pakistan. EM muniqbal@yahoo.com FU Centre for High Energy Physics, University of Punjab Lahore, Pakistan; Higher Education commission of Pakistan FX We are highly grateful to Centre for High Energy Physics, University of Punjab Lahore, Pakistan and Higher Education commission of Pakistan for providing computational facilities and funding to accomplish this work. NR 9 TC 2 Z9 3 U1 0 U2 10 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0042-207X J9 VACUUM JI Vacuum PD MAR PY 2014 VL 101 SI SI BP 157 EP 162 DI 10.1016/j.vacuum.2013.08.005 PG 6 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 295UY UT WOS:000330143000029 ER PT J AU Zawadzki, RJ Capps, AG Kim, DY Panorgias, A Stevenson, SB Hamann, B Werner, JS AF Zawadzki, Robert J. Capps, Arlie G. Kim, Dae Yu Panorgias, Athanasios Stevenson, Scott B. Hamann, Bernd Werner, John S. TI Progress on Developing Adaptive Optics-Optical Coherence Tomography for In Vivo Retinal Imaging: Monitoring and Correction of Eye Motion Artifacts SO IEEE JOURNAL OF SELECTED TOPICS IN QUANTUM ELECTRONICS LA English DT Article DE Aberration compensation; adaptive optics; imaging system; motion artifact correction; ophthalmology; optical coherence tomography; scanning laser ophthalmoscopy ID SCANNING LASER OPHTHALMOSCOPY; SCATTERED DATA INTERPOLATION; NERVE-FIBER BUNDLES; LIVING HUMAN RETINA; ULTRAHIGH-RESOLUTION; HIGH-SPEED; CONE PHOTORECEPTORS; LIGHT; INTERFEROMETRY; NEUROPATHIES AB Recent progress in retinal image acquisition techniques, including optical coherence tomography (OCT) and scanning laser ophthalmoscopy (SLO), combined with improved performance of adaptive optics (AO) instrumentation, has resulted in improvement in the quality of in vivo images of cellular structures in the human retina. Here, we present a short review of progress on developing AO-OCT instruments. Despite significant progress in imaging speed and resolution, eye movements present during acquisition of a retinal image with OCT introduce motion artifacts into the image, complicating analysis and registration. This effect is especially pronounced in high-resolution datasets acquired with AO-OCT instruments. Several retinal tracking systems have been introduced to correct retinal motion during data acquisition. We present a method for correcting motion artifacts in AO-OCT volume data after acquisition using simultaneously captured adaptive optics-scanning laser ophthalmoscope (AO-SLO) images. We extract transverse eye motion data from the AO-SLO images, assign a motion adjustment vector to each AO-OCTA-scan, and re-sample from the scattered data back onto a regular grid. The corrected volume data improve the accuracy of quantitative analyses of microscopic structures. C1 [Zawadzki, Robert J.; Kim, Dae Yu; Panorgias, Athanasios; Werner, John S.] Univ Calif Davis, Dept Ophthalmol & Vis Sci, Vis Sci & Adv Retinal Imaging Lab VSRI, Sacramento, CA 95817 USA. [Zawadzki, Robert J.] Univ Calif Davis, Dept Cell Biol & Human Anat, Sacramento, CA 95817 USA. [Capps, Arlie G.] Univ Calif Davis, Dept Ophthalmol & Vis Sci, Vis Sci & Adv Retinal Imaging Lab VSRI, Davis, CA 95616 USA. [Capps, Arlie G.; Hamann, Bernd] Univ Calif Davis, Dept Comp Sci, IDAV, Davis, CA 95616 USA. [Capps, Arlie G.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Stevenson, Scott B.] Univ Houston, Coll Optometry, Houston, TX 77204 USA. RP Zawadzki, RJ (reprint author), Univ Calif Davis, Dept Ophthalmol & Vis Sci, Vis Sci & Adv Retinal Imaging Lab VSRI, Sacramento, CA 95817 USA. EM rjzawadzki@ucdavis.edu; agcapps@ucdavis.edu; dyukim@ucdavis.edu; apanorgias@ucdavis.edu; SBStevenson@UH.edu; hamann@cs.ucdavis.edu; jswerner@ucdavis.edu RI Zawadzki, Robert/E-7534-2011 OI Zawadzki, Robert/0000-0002-9574-156X FU National Eye Institute [EY 014743]; Research to Prevent Blindness (RPB); U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344.LLNL-JRNL-639865] FX The authors gratefully acknowledge the contributions of Scot Olivier and Steve Jones of the Lawrence Livermore National Laboratory, and the VSRI UC Davis lab members Suman Pilli, Ravi Jonnal and Susan Garcia. This research was supported by the National Eye Institute (EY 014743) and Research to Prevent Blindness (RPB). It also performed, in part, under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.LLNL-JRNL-639865 NR 92 TC 5 Z9 5 U1 1 U2 21 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1077-260X EI 1558-4542 J9 IEEE J SEL TOP QUANT JI IEEE J. Sel. Top. Quantum Electron. PD MAR-APR PY 2014 VL 20 IS 2 AR 7100912 DI 10.1109/JSTQE.2013.2288302 PG 12 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA 293TS UT WOS:000329997200029 ER PT J AU Beerer, D McDonell, V Therkelsen, P Cheng, RK AF Beerer, David McDonell, Vincent Therkelsen, Peter Cheng, Robert K. TI Flashback and Turbulent Flame Speed Measurements in Hydrogen/Methane Flames Stabilized by a Low-Swirl Injector at Elevated Pressures and Temperatures SO JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER-TRANSACTIONS OF THE ASME LA English DT Article ID PREMIXED GAS-TURBINES; NUMERICAL-SIMULATION AB This paper reports flashback limits and turbulent flame local displacement speed measurements in flames stabilized by a low swirl injector operated at elevated pressures and inlet temperatures with hydrogen and methane blended fuels. The goal of this study is to understand the physics that relate turbulent flame speed to flashback events at conditions relevant to gas turbine engines. Testing was conducted in an optically accessible single nozzle combustor rig at pressures ranging from 1 to 8 atm, inlet temperatures from 290 to 600 K, and inlet bulk velocities between 20 and 60 m/s for natural gas and a 90%/10% (by volume) hydrogen/methane blend. The propensity of flashback is dependent upon the proximity of the lifted flame to the nozzle that is itself dependent upon pressure, inlet temperature, and bulk velocity. Flashback occurs when the leading edge of the flame in the core of the flow ingresses within the nozzle, even in cases when the flame is attached to the burner rim. In general the adiabatic flame temperature at flashback is proportional to the bulk velocity and inlet temperature and inversely proportional to the pressure. The unburned reactant velocity field approaching the flame was measured using a laser Doppler velocimeter with water seeding. Turbulent displacement flame speeds were found to be linearly proportional to the root mean square of the velocity fluctuations about the mean velocity. For identical inlet conditions, high-hydrogen flames had a turbulent flame local displacement speed roughly twice that of natural gas flames. Pressure, inlet temperature, and flame temperature had surprisingly little effect on the local displacement turbulent flame speed. However, the flow field is affected by changes in inlet conditions and is the link between turbulent flame speed, flame position, and flashback propensity. C1 [Beerer, David; McDonell, Vincent] UC Irvine Combust Lab, Irvine, CA 92697 USA. [Therkelsen, Peter; Cheng, Robert K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP McDonell, V (reprint author), UC Irvine Combust Lab, Irvine, CA 92697 USA. EM djb@ucicl.uci.edu; vgm@ucicl.uci.edu; ptherkelsen@lbl.gov; rkcheng@lbl.gov FU California Energy Commission (CEC); Naval Office of Research; U.S. Department of Energy [DE-AC02-05CH11231]; [500-08-034] FX The authors would like to thank the students and staff at the UCICL for their assistance, specifically Adrian Narvaez, Joe Velasco, Kyl